Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes

Investigation of the analyte soaking conditions on the crystalline sponge {[(ZnI₂)₃(tpt)₂·x(solvent)]_n} method using a statistical design of experiments model has provided fundamental insights into the influence of experimental variables. This approach focuses on a single analyte tested via 60 experiments (20 unique conditions) to identify the main effects for success and overall guest structure quality. This is employed as a basis for the development of a novel molecular structure grading system that enables the quantification of guest exchange quality.

1. Introduction

Since its initial development and publication in 2013, the crystalline sponge (CS) method has enabled analysis of non-crystalline compounds using single-crystal X-ray diffraction (SCXRD) (Inokuma et al., 2013; Hoshino et al., 2016). The technique employs crystalline, porous, metal–organic frameworks (MOFs) as a host into which small molecules can diffuse. Guest molecules adopt regular positions within the 3D framework, thereby providing the long-range ordering necessary for characterization via SCXRD, which provides atomic resolution molecular structure results. The key benefit of the method is compatibility with SCXRD analysis without the need for sample crystallization, which can take months for some molecules and may be impossible for others.

The first MOFs identified for use as CS hosts were the {[(ZnX₂)₃(tpt)₂·x(solvent)]_n} series, where X = Cl, Br and I, and tpt = 2,4,6-tris­(pyridin-4-yl)-1,3,5-triazine. The significant interest generated by this MOF has led to rapid expansion in the number of host systems identified as suitable for CS analysis. This has included covalent organic frameworks (COFs) and hydrogen-bonded frameworks with systems increasingly being developed for use with specific classes of compounds (Inokuma et al., 2016; Ning et al., 2016; Li et al., 2019; Lunn et al., 2020; Chen et al., 2022; Wada et al., 2024).

To date, the relatively generic applicability of the ZnX₂-tpt hosts has great versatility with a wide range of chemistries and means they are the most widely used for the CS technique. [Evidenced by work within our group, which has generated a CSD subset for CS structures, akin to that of the MOF subset available from CCDC (Moghadam et al., 2017).] The compatibility of the host with a wide range of guests can be rationalized by its intermolecular interactions: host–guest contacts can occur with pyridine and triazine rings, as well as ZnX₂ units. The variety of potential interactions enables guests to adopt regular positions within the pore without the requirement for specific chemical functionality. Some of the most notable applications have included the combination of CS with high-performance liquid chromatography for analysis of human metabolites, or the study of natural products that requires only nanograms of sample for molecular structure elucidation (Rosenberger et al., 2020; Inokuma et al., 2013). Two extensive recent reviews further discuss the underlying principles and applications of CS analysis (Zigon et al., 2021; Habib et al., 2022).

Although the CS method has added another tool to the arsenal of advanced crystallization methods, uptake has been limited to a handful of laboratories globally (Metherall et al., 2023). Significant proportions of work undertaken on CS analysis have been devoted to method development, including more efficient synthesis of host crystals, optimization of hardware and improvements to guest exchange strategies for reactive guests (Waldhart et al., 2016; Meurer et al., 2022; Sakurai et al., 2017). This branch of research has also examined the reliability of host–guest interactions to improve our understanding of analyte and host behaviours (Hayes et al., 2016; Carroll et al., 2023).

While these developments have enabled more effective use of the CS method for experienced crystallographers, there are still several issues which prevent its wider adoption. Two examples of these difficulties are optimization of guest-exchange conditions and quantifying the quality of the results.

The challenge of optimizing guest-exchange conditions for CS is best understood in the context of the iterative experimental approach which analytes are subjected to, illustrated in Fig. 1.

Figure 1 Workflow of the iterative experimental approach for the CS method.

Firstly, a CS host material is selected. This could be any of the range of discovered hosts, but for simplicity in this study is restricted to the ZnI₂-tpt framework. Choices must then be made regarding host solvent, analyte solvent, analyte concentration, exchange duration and exchange temperature, all of which, from our experience, have an influence on successful exchange and the quality of the result achieved.

Each soaking experiment takes a minimum of 24 h, after which data must be collected, processed and modelled before it can be determined if the outcome was successful or improved upon the previous result. This time-consuming process must then be repeated continuously until the guest compound has been successfully characterized. Often it is possible to at least partially model guests within a few iterations if the analyte is compatible with the CS method, but how does one know if the best possible result has been achieved at any particular stage? This is difficult to assess due to the significant variation of guest-exchange quality between different molecules, often resulting in reliance on intuition rather than quantitative indicators. Assessment is also complicated by failures, which may be due to host crystal defects rather than the selected experimental conditions, though this may be combatted by running experiments in triplicate to minimize the influence of `random' failures.

Several publications have addressed the issue that no single optimum experimental condition for guest exchange exists for all analytes (Sakurai et al., 2017; Wada et al., 2021). Their conclusions are that this is due primarily to variation in chemical reactivities, as well as molecular shape and size. However, is it possible to identify wider trends that can inform iterative experiments to achieve the best exchange in the fewest number of attempts?

To explore this idea, a statistical design of experiments (DoE) study was undertaken to investigate the exchange of a single analyte with 20 unique experimental conditions run in triplicate. DoE methodologies are commonly used in industrial applications, where a high number of variables need to be probed under time and budget constraints (Fisher, 1935; Yuangyai & Nembhard, 2010). From a practical perspective, DoE studies plan an array of experiments which vary multiple parameters simultaneously for efficient exploration of the experimental `landscape'. This contrasts to traditional iterative experiments which vary one factor at a time (OFAAT) and can produce collections of data that are not well suited for assessing wider trends and correlated effects.

For CS research, this represents the largest statistical study published to date and the extensive collection of data provides a basis for analysis of the three main experimental influences of CS experiments. These factors are exchange temperature, analyte concentration and exchange duration, and have become apparent based on extensive prior experience. The influence of these factors on successful guest exchange has enabled analysis of additive effects, assessing whether the overall impact of the two factors can be described by summation. This was followed by analysis of the crystallographic space group and unit-cell variation as an indicator for guest-exchange quality. Finally, a novel analyte structure grading system was developed to quantitatively assess outcomes with a view to defining when the best possible result has been obtained.

The molecular grading system is integrated into the crystallographic refinement procedure and relates guest geometry to equivalent geometry in structures of `pure' analytes determined by conventional SCXRD. It is designed to be used in combination with accepted crystallographic model validation and quality assessment tools and provides an informative metric that can be used to assess improvements in iterative experimental attempts. The system represents an approach to grading CS structures derived from our standardized method and will require development to extend applicability to more diverse crystallographic structures. The grading system offers non-CS specialists a numerical value as an indicator of the quality, and hence reliability, of the derived molecular structure of the analyte.

2. Methodology

The analyte material selected for this study was 2,6-di­meth­oxy-2′-hy­droxy­methyl­biphenyl and is shown in Fig. 2. The molecular structure of this compound, as determined by the CS method, was first reported in a previous systematic study and is referred to in both studies as benzyl bi­aryl alcohol – 8,12 – meth­oxy (BBA-8,12-OMe) (Carroll et al., 2023).

Figure 2 Molecular structure of 2,6-di­meth­oxy-2′-hy­droxy­methyl­biphenyl (BBA-8,12-OMe).

This analyte was chosen because of its efficient uptake into framework pores. The encapsulation process results in a change in crystallographic space group from that of the as-prepared host and enables multiple guest molecules to be modelled inside the framework. Additionally, the SCXRD characterization of a `pure' BBA-8,12-OMe crystal structure supports this study by providing reliable bond distances and angles which act as a foundation for the development of the geometric structure grading system. Future iterations will not rely on conventional SCXRD structures and are addressed in Section 4.

To trial the suitability of BBA-8,12-OMe for wider statistical analysis, a selection of scoping experiments were conducted to identify suitable design variables for the three main experimental factors: exchange temperature, analyte concentration and exchange duration. The factor levels chosen (shown in Table 1) are based on a mixture of scoping experiments and published conditions.

Table 1
Factors and factor levels selected for defining DoE runs

Exchange temperature (°C)	Analyte concentration (mg ml^−1)	Exchange duration (h)
4	1	24
25	5	48
50	10	96

Crucially, the selected factor levels exhibit the necessary amount of variation for guest-exchange efficiency and molecular geometric accuracy of BBA-8,12-OMe, such that results are distinguishable. The influence of these factors on both the success and the quality of guest exchange has been highlighted in previous publications (Sakurai et al., 2017). Note that host crystal size is believed to influence the observed results; this factor has not been accounted for in this work but is being investigated in detail in a separate study (see Section 4). The response variables or measured outcomes explored in this study were: the ability to resolve a guest molecule, the crystallographic space group/unit cell adopted and a numerical grade related to the quality of the guest-molecule model.

There can be multiple interpretations of what constitutes an `optimal' condition depending on the researcher's aims. For this study, we have chosen to target conditions that produce consistent successful results across all replicates and enable modelling of multiple guests with the best average grade.

The combination of three levels for each experimental factor would result in 27 unique experimental conditions and 81 total experiments when repeated in triplicate. This multilevel factorial study was reduced in size using the Minitab software and the generation of a factorial design selected according to D-optimality (Minitab LLC, 2021). Three optimal designs were generated for comparison and the corresponding statistical values are tabulated in Section S1 of the supporting information. It was determined that a study with 20 unique experiments run in triplicate (60 total experiments) represented the best compromise between statistical insight for two-factor influences and feasibility with time/resources. Trials for each replicate were randomized to reduce the confounding of uncontrolled and controlled factors.

The full list of experimental conditions is tabulated in Section S1 and further discussion of experimental procedure can be found in Sections S2 and S3. Crystallographic tables for all structures of BBA-8,12-OMe are shown in Section S5.

Assignment of structural grades for guests relied on geometric accuracy compared with conventional SCXRD data. It was possible to obtain suitable crystals of BBA-8,12-OMe via the encapsulated nanodroplet crystallisation (ENaCt) method, an advanced crystallization technique for small organic molecules (Tyler et al., 2020).

Guest molecules modelled within the CS framework often possess distortions of molecular geometries and significantly larger thermal ellipsoids than conventional SCXRD structures. To ensure adherence to the more reliably determined geometries, crystallographic restraints and constraints were applied to CS guest molecules. Restraints and constraints were applied consistently and in a progressive manner to all structures. The relevant target values for bond distances and angles are shown in Fig. 3.

Figure 3 Geometric values for BBA-8,12-OMe determined by conventional SCXRD (CCDC No. 2341226).

The stepwise application of restraints and constraints was essential for application to a grading system. The full details of the grading system, including a breakdown of the values assigned to restraints/constraints and an illustrative example, can be found in Section S4. In summary, individual guest-exchange sites are scored from 0.00 to 16.00, with lower scores representing higher quality data and a closer resemblance to conventional SCXRD data. Scores are additive, summing values attributed to bond geometries, crystallographic restraints/constraints and thermal parameters. The structural grading system has been successfully implemented for similar CS bi­aryl structures and other small molecules, highlighting its scope for application to all CS results, and potentially beyond.

3. Results and discussion

3.1. Guest-exchange rates and reliability

With the results of all 60 experiments, the ability to model BBA-8,12-OMe guests within the framework could be assessed. As the first response variable explored in the study, this metric offers an assessment of reliability for CS experiments. The success rate of experiments with respect to individual factors are illustrated in Fig. 4.

Figure 4 Single factor success rates for BBA-8,12-OMe guest exchange.

The first point of note is the relatively high number of failed guest exchanges: more than one third (35%) of experimental conditions resulted in data where no molecules of BBA-8,12-OMe could be resolved. Most of these failed experiments were associated with low exchange temperature (4°C) or middle exchange duration (48 h). It is notable that even for BBA-8,12-OMe, an analyte which has been identified as well suited to systematic study, there is still considerable inconsistency or variability in exchange into the CS host.

Investigation of trends for the three experimental factors highlights that exchange temperature appears to be the main effect, exhibiting a positive correlation between an increase in temperature and the ability to resolve guest molecules within the pore. This could be attributed to an increase in kinetic energy which drives more complete diffusion of BBA-8,12-OMe into the host framework. However, the relatively high P-value (0.1738) indicates that this might not be statistically significant, and it is therefore not possible to reject that this trend is a product of random error.

In comparison, analyte concentration and exchange duration exhibit a greater deviation away from linear positive correlations and have significantly higher accompanying P-values. Consequently, no statistically meaningful trends can be extrapolated from the influence of these single factors. To improve the insight into individual factors, more factor levels would be required.

The interplay of the three factors on successful exchange can be examined further with consideration of two factor influences, illustrated in Section S6. Most of these plots possess no clear correlation between successful exchange and relevant factors, this is further shown with regression statistics that cannot statistically validate apparent trends. These plots highlight the difficulty in assessing wider trends for CS data; experiments conducted under the same conditions can often have unreliable results and the resulting statistical metrics, such as P-values, are sensitive to this variability.

However, some insights are available for specific combinations of two-factor influences. For example, there is a strong positive correlation of temperature with low (1 mg ml⁻¹) analyte concentration, this suggests again that increased temperature and kinetic energy can be beneficial for more complete diffusion of analyte material. Similarly, longer exchange durations displayed a positive correlation at a 25°C exchange temperature. This may suggest that systems with lower kinetic energy may rely more heavily on longer exchange durations for successful diffusion and settling within the pores. Both trends are supported by P-values < 0.05, which indicate that it is unlikely these are observed because of random error and therefore their corresponding null hypotheses may be rejected.

Analysis of two-factor influences also enables some specific identification of favourable and unfavourable conditions for exchange (see Table 2).

Table 2
Most (top) and least (bottom) consistent exchange of BBA-8,12-OMe with respect to two factor influences

Factor A	Factor B	Success rate (%)
5 mg ml^−1	96 h	100.00
25°C	96 h	100.00
50°C	24 h	100.00
50°C	96 h	100.00
50°C	1 mg ml^−1	100.00
4°C	48 h	0.00
4°C	5 mg ml^−1	0.00
4°C	10 mg ml^−1	33.33
1 mg ml^−1	48 h	33.33
5 mg ml^−1	48 h	33.33

3.2. Crystallographic space groups

Having understood the influence of experimental factors on successful guest exchange, the second response variable – categorization of crystallographic space group and unit cells – is introduced. There are three classes of result: C2/c ≃ 16000 ų, P2/n ≃ 16000 ų and C2/c ≃ 48000 ų. The unique forms can be analysed in combination with the design variables discussed in Section 3.1 and, furthermore, can be related to the efficiency of guest uptake or overall quality of guest exchange. To understand each of these crystallographic results, structural differences must be considered alongside their relationship to experimental variables.

Overlay of representative structures from each unique form indicates that relatively consistent locations and geometries were adopted by guests in the primary exchange site of all crystallographic forms. This was further corroborated by analysis of intermolecular interactions between the analyte molecule and the host framework, with full interaction tabulation presented in Section S9. An overlay of representative structures from each category is shown in Fig. 5.

Figure 5 Representative overlay of primary guest sites and host frameworks for the three crystallographic forms. C2/c (16k): green; P2/n: blue; C2/c (48k): red.

Variation between some of the crystallographic forms is more apparent through consideration of the number of guests resolved within the pore and the relative occupancy of these exchange sites, as summarized in Table 3.

Table 3
Guest-exchange rates and exchange site occupancies for the three crystallographic forms

	C2/c (16k)	P2/n	C2/c (48k)
No. of guest sites	1	1–2	1–3
Ordered solvent	No	Yes	Yes
Site A occupancy (%)	18.6–29.5	45.6–84.2	45.5–85.8
Site B occupancy (%)	–	15.5–30.0	11.3–38.7
Site C occupancy (%)	–	–	21.9

C2/c (16k) possesses the greatest similarity to an unexchanged and solvent-filled ZnI₂-tpt host. There is some expansion of the unit-cell volume (∼600 ų), enabled by the breathable and interpenetrated nature of the host framework, but only one low-occupancy guest site is present.

In contrast, the P2/n and C2/c (48k) forms showcase more complete exchange through greater occupancy of the primary site and the potential to resolve a weaker secondary site. For C2/c (48k) there is also the potential for a unique tertiary site, closely related to the secondary site, but this is only observed once throughout the entire study.

To rationalize the differences between the P2/n and C2/c (48k) forms, a more detailed consideration of their respective secondary site locations and interactions is required. The full crystallographic analysis for these sites is presented in Section S7. In summary, the P2/n form possesses a secondary guest site which is located over a twofold symmetry axis and prioritizes interaction with the host framework. Conversely, the C2/c (48k) secondary site adopts a slightly different orientation which maximizes interaction with neighbouring guests and leads to adoption of the supercell form. Importantly, the location of the P2/n secondary guest necessitates additional crystallographic restraints and constraints, the consequences of which are explored further in Section 3.3.

Once structural differences between the three crystallographic forms have been established, their relationships to experimental factors can be explored, as illustrated in Fig. 6.

Figure 6 Overall and single factor influences for crystallographic form adoption.

Overall, P2/n is the most common result with over half (51.3%) of the successful BBA-8,12-OMe exchanges adopting this form. This is followed by C2/c (48k) with 35.9% and finally C2/c (16k) with 12.8%. Similar to the trend for single factors (Fig. 4), the exchange temperature exhibits the most interesting influence. At higher temperature (50°C), P2/n is the overwhelmingly dominant form with C2/c (16k) only adopted 10.5% of the time and C2/c (48k) not present at all. There is then a major decrease in the P2/n form with the step to 25°C, this is primarily replaced with C2/c (48k) and this trend continues to 4°C where P2/n is no longer observed.

As previously discussed, P2/n and C2/c (48k) have comparable guest-exchange occupancies but differ in structural features of the secondary exchange sites. The correlation with temperature therefore suggests there is a kinetic barrier to adoption of the secondary site which interacts more reliably with the CS host and results in the P2/n form.

Although not the main effect for occurrence of crystallographic space groups, analyte concentration does have a direct relation to observation of the P2/n form. This follows the same trend as exchange temperature, with higher analyte concentration producing more P2/n structures. It may be inferred that a greater concentration gradient of the analyte surrounding the host crystal can also influence the diffusion mechanism of guest molecules into the CS host.

The classification of guest exchange into three unique forms presents another opportunity to assess the reliability of CS experiments: of the 20 unique experimental conditions, how many produced the same crystallographic result with the same number of guest molecules resolved?

Only two experiments achieved the same result for all three of the triplicate runs, these were 50°C|10 mg ml⁻¹|24 h and 50°C|10 mg ml⁻¹|96 h. An additional three experiments possessed the same crystallographic form but with variation in the number of guests resolved and these were 50°C|1 mg ml⁻¹|96 h, 50°C|5 mg ml⁻¹|96 h and 25°C|1 mg ml⁻¹|96 h. This again highlights that higher temperature and longer duration exchanges have greater reliability for success and consistent results. On the other hand, it demonstrates the very varied behaviour of CS experiments when conducted on a larger scale.

3.3. Quantitative structural grading system

Although crystallographic space group classification enables identification of differences, it does not convey the variation in quality between results. A quantitative structural grading system was therefore devised to distinguish between CS structure quality. The primary aim of this method is to present a simple and comparable metric, such that quality of data can be understood without having to factor in the guest exchange, data collection and model refinement stages.

Though a full description of the structural grading system can be found in Section S4, comparison of grades for P2/n and C2/c (48k) secondary sites highlights a useful application of the system. As shown previously in Table 3, these two crystallographic forms appear remarkably similar when considering efficiency of guest loading. However, the secondary exchange site for the P2/n form is located over a twofold symmetry axis. To model this site, considerably more restraints and constraints are required in comparison with C2/c (48k) and the exchange location also often results in the expansion or flattening of atomic displacement parameters.

These additional restraints and constraints are represented graphically in the supporting information, but it is difficult to quantify the difference in structure quality between sites in this form. In contrast, through application of the structural grading system, the quality of the relevant secondary site molecular structures (and in fact all guest exchanges) can be differentiated relatively easily as illustrated in Fig. 7. Full tabulation of analyte grades is shown in Section S10.

Figure 7 Box and whisker plot of analyte grades for the three crystallographic forms and their unique exchange sites.

This clearly showcases that C2/c (48k) secondary site structures are better defined and have a closer resemblance to conventional SCXRD structures. The extent to which these grades reflect the physical nature of the exchange sites can also be considered. The intervention with restraints and constraints is required for a standardized and extremely useful asymmetric unit representation. However, the frequency at which P2/n and C2/c secondary sites occur suggests that P2/n exhibits the more reliable exchange.

For P2/n, secondary site structures are observed 80% of the time, in comparison with only 40% for C2/c (48k) structures. The high occurrence of P2/n secondary site structures and their more reliable contact with the host framework (discussed in Section S7) suggests this site is better positionally stabilized. To investigate this further, analysis of interaction energies with the relevant host/guest molecules would be required and this is the subject of ongoing studies.

The grades for P2/n and C2/c (48k) primary exchange site structures are considerably better than those in C2/c (16k), which has a closer similarity to their respective secondary exchange site structures. This reflects the guest-exchange occupancy previously shown in Table 3 and, while this is influenced by the inclusion of occupancy as a quality indicator, it also highlights that sites with more complete exchange tend to have more accurate geometric features.

To further explore the viability of the structural grading system, evaluation with respect to single experimental factors was undertaken. This results in good agreement with conclusions drawn from both success rate and crystallographic form plots as highlighted in Figs. 8 and 9.

Figure 8 Scatterplot of analyte-grade relationship to variable exchange temperature.

Figure 9 Box and whisker plot of analyte-grade relationship to variable exchange temperature with components separated into crystallographic space groups.

These show that an increase in temperature results in worse secondary exchange site structure quality. This is primarily driven by the dominance of the P2/n form at higher temperature and the subsequent practical difficulty of modelling the guest over a twofold symmetry axis.

Further investigation of analyte grades with single and two-factor experimental influences highlights the mixed relationship between consistency of guest-exchange and guest-model quality. Although 50°C experiments have reliable guest exchange and exhibit the highest quality primary sites, 48 h experiments, which are rarely successful, achieve the best primary site grades of all three exchange durations explored in this study (Section S11).

The significant variation in quality of guest exchange for similar conditions and the challenge of reliability with the CS method is further emphasized by both the absence of trends from plots of two-factor influences with analyte grades and their lack of statistical significance (Section S12). These trends are severely influenced by the lack of guest exchange for 4°C and 48 h experiments (Table 2), because they provide no comparable data on guest quality. In relation to temperature, this can be explained by the lack of kinetic energy for diffusion of guest molecules, whereas the relationship with exchange duration appears to be more complex and requires further investigation.

Analyte grades for BBA-8,12-OMe guests were also compared with traditional crystallographic metrics, including R₁, wR₂, I/σ etc. The aim of this investigation was to identify a statistical metric which may act as an indicator for higher quality guest exchange. The comparative plot for R₁ is shown in Fig. 10 and corresponding graphs can be found in Section S13.

Figure 10 Scatterplot of analyte-grade relationship to R1 (%).

The scatterplot features a weak negative correlation between R₁ and the quality of the secondary exchange site. This is further corroborated by a similar trend for R_int (Section S13) and highlights the importance of adopting this style of grading system that can empower researchers to report geometrically accurate structures which possess higher R values. This analysis complements the work of Spek (2018), who first explored the relationship between structural validity and traditional crystallographic metrics for CS data. In agreement with Spek's analysis, many crystallographic metrics do not possess statistically significant trends with respect to analyte grades. This is primarily caused by the minor contribution of the guest molecule to the diffraction pattern, and the subsequent influence they have on refinement statistics can be negligible compared with the dominant host framework which contains heavier elements.

3.3.1. Application of optimal conditions

Although only limited insights could be made into guest quality trends, it was still possible to identify the optimal conditions for exchange of BBA-8,12-OMe into the CS host. This was 50°C|10 mg ml⁻¹|96 h because of its consistent success across all replicates and the high-quality of multiple guest models. Contrastingly, one of the worst combinations of conditions for guest exchange was found to be 4°C|10 mg ml⁻¹|96 h which had inconsistent success but did enable characterization of low-quality guest sites. This once again reiterates the influential role temperature has on this specific system.

Although previous research indicates that optimal exchange conditions can be highly dependent on the chosen guest molecule, as a validation of these findings, the `best' and `worst' conditions were applied to a structurally similar, small organic analyte. This enables the application of the quantitative structural grading system to assess for similar experimental trends in other guests, even if they are not fully optimized. Previous experiments conducted in our laboratory indicated variable soaking behaviour for 4-methyl­benzo­phenone (Fig. 11) and it was therefore chosen for the application of this approach.

Figure 11 Molecular structure of 4-methyl­benzo­phenone.

Full crystallographic details of 4-methyl­benzo­phenone structures, including application of crystallographic restraints/constraints and structural grading scores, can be found in Section S14.

4-methyl­benzo­phenone displays similar experimental trends to BBA-8,12-OMe: higher temperature soaks exhibited more consistency for guest exchange while lower temperature experiments were unable to resolve any guests. Interestingly, the experiments conducted at 4°C did exhibit some clear signs of guest uptake even though no guests could be modelled, this is discussed in Section S15.

As observed with BBA-8,12-OMe, efficient uptake of 4-methyl­benzo­phenone into the host framework resulted in a reduction of crystallographic symmetry (C2/c to P1). This feature has been identified for a number of highly compatible analytes, such as the anthelminthic drug α-santonin (Hoshino et al., 2016). These changes, in comparison with traditional crystallographic metrics, offer some of the most reliable indications that guest exchange has occurred with high efficiency and, consequently, that guests can be modelled with geometric accuracy and fewer restraints/constraints.

In the case of 4-methyl­benzo­phenone, two unit cells are observed for successful exchange: P1 ≃ 8000 ų and P1 ≃ 16000 ų. The P1 (8k) form possesses two unique exchange sites with structures exhibiting an average grading score of 4.59, which represents a higher quality exchange than most experiments conducted for BBA-8,12-OMe. The P1 (16k) form possesses ten unique exchange sites with an average score of 4.71. This structure displayed greater variation of guest exchange quality, with the best-defined sites achieving scores of 1.50 and 1.69, while the weakest sites scored 10.00 and 10.13. Comparison of scores for future studies will depend largely on the aims of a study; however, it is expected that achieving the single highest-quality site may be most desirable. Further analysis of the crystallographic results can be found in Section S15.

Although these experimental conditions may well not be the `optimal' exchange parameters for 4-methyl­benzo­phenone, they do highlight that experimental trends for structurally similar molecules can provide a useful starting point for investigation. These findings will therefore speed up the iterative experimental procedure and will be particularly useful for studies examining multiple types of CS host simultaneously.

4. Conclusions and future work

Application of statistical DoE principles to CS experiments has explored three responses, each highlighting the significant variability in the CS method and the importance of optimizing experimental conditions to achieve high-quality molecular structure characterization.

We have shown for BBA-8,12-OMe that exchange temperature is the main effect for successful exchange and ordering of guests within the CS host. These exchanges are observed in three different crystallographic forms which enabled preliminary categorization of exchange efficiency and geometric accuracy. Here it was shown that, while exchange temperature had the most evident influence, analyte concentration also impacted the crystallographic form adopted.

To further analyse these results, a novel grading system integrated into the crystallographic refinement procedure has been developed. This system provides a simple metric for representation of data quality to both specialist and non-specialist researchers who may utilize the CS method in their work. This represents a significant improvement from previous CS practices, where guest occupancy was used as an isolated, and often ineffective, quality indicator.

Complementary analysis was obtained for a structurally similar, small organic molecule and demonstrated that optimal conditions can be analyte specific, but still have useful applications for minimizing iterative experimentation on previously unexplored materials.

Further statistical studies which implement DoE principles are currently being undertaken to investigate the influence of host crystal size. This work has notable possible applications to three-dimensional electron diffraction, where nanocrystals have the potential to revolutionize the approach to CS experiments.

Future developments of the structural grading system will introduce scores for more restraints/constraints commonly available to researchers and apply more structural descriptors, such as analysis of local electron density maps for guest-exchange sites. Development of an automated script for calculating molecule grades will be undertaken following community feedback on relative scores and other features. Alongside this, future iterations will also implement database derived geometric libraries, such as the CCDC Mogul software, which will eliminate the use of conventional SCXRD data as reference material (Bruno et al., 2004; Cottrell et al., 2012). Wider adoption of the system and accumulation of data into a comprehensive library may allow the quantitative grading system to be applied more broadly when informing researchers, i.e. whether their data is suitable for accurate, detailed conformational analysis or provides reliable molecular connectivity only.

5. Related literature

The following references are cited in the supporting information: Dolomanov et al. (2009); Groom et al. (2016); Kutzke et al. (1996); Sheldrick (2015); Spek (2003).

Supporting information

Computing details

(2',6'dimethoxy-[1,1'-biphenyl]-2-yl)methanol (BBA_8_12_OMe)

Crystal data

C15H16O3	F(000) = 2080
Mr = 244.28	Dx = 1.316 Mg m^−3
Monoclinic, I2/a	Cu Kα radiation, λ = 1.54184 Å
a = 23.913 (2) Å	Cell parameters from 1441 reflections
b = 7.6350 (7) Å	θ = 3.2–63.7°
c = 27.048 (2) Å	µ = 0.74 mm^−1
β = 93.244 (7)°	T = 100 K
V = 4930.4 (8) Å^3	Needle, colourless
Z = 16	0.13 × 0.02 × 0.02 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	7946 measured reflections
Radiation source: Rotating anode, Rigaku 007 HF	7946 independent reflections
Arc)Sec VHF Varimax focusing mirrors monochromator	4183 reflections with I > 2σ(I)
Detector resolution: 10 pixels mm^-1	θmax = 69.7°, θmin = 3.3°
profile data from ω–scans	h = −28→28
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −9→7
Tmin = 0.949, Tmax = 0.987	l = −32→32

Refinement

Refinement on F^2	Primary atom site location: iterative
Least-squares matrix: full	Hydrogen site location: mixed
R[F^2 > 2σ(F^2)] = 0.080	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.246	w = 1/[σ^2(Fo^2) + (0.1039P)^2 + 7.8365P] where P = (Fo^2 + 2Fc^2)/3
S = 1.06	(Δ/σ)max = 0.001
7946 reflections	Δρmax = 0.30 e Å^−3
448 parameters	Δρmin = −0.31 e Å^−3
0 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. Refined as a 2-component twin.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
O3B	0.33085 (16)	0.6817 (5)	0.33454 (13)	0.0427 (10)
O2A	0.40803 (16)	0.2791 (5)	0.07534 (13)	0.0427 (10)
O3A	0.26497 (16)	0.3239 (5)	0.18543 (13)	0.0420 (10)
O2B	0.42776 (16)	0.7141 (5)	0.48846 (13)	0.0460 (11)
O1A	0.45208 (17)	0.3341 (6)	0.24675 (14)	0.0496 (11)
H1AA	0.458067	0.424433	0.263959	0.074*
O1B	0.46910 (17)	0.6339 (6)	0.29712 (14)	0.0492 (11)
H1BA	0.496094	0.682441	0.284002	0.074*
C4A	0.3570 (2)	0.1439 (8)	0.15670 (19)	0.0363 (13)
C4B	0.4095 (2)	0.8502 (8)	0.39547 (18)	0.0354 (13)
C12B	0.3353 (2)	0.6174 (7)	0.38208 (19)	0.0358 (13)
C2A	0.3675 (2)	−0.1722 (9)	0.1607 (2)	0.0444 (15)
C12A	0.2859 (2)	0.3838 (7)	0.14239 (19)	0.0361 (13)
C1B	0.4680 (3)	1.1440 (9)	0.3654 (2)	0.0410 (14)
C5B	0.4558 (2)	0.8298 (8)	0.36675 (18)	0.0382 (14)
C6B	0.4850 (3)	0.9804 (8)	0.3524 (2)	0.0400 (14)
C3A	0.3493 (2)	−0.0226 (8)	0.1357 (2)	0.0400 (14)
C3B	0.3934 (3)	1.0192 (8)	0.4085 (2)	0.0393 (14)
C11A	0.2608 (3)	0.5169 (8)	0.1135 (2)	0.0404 (14)
C1A	0.3928 (3)	−0.1567 (9)	0.2077 (2)	0.0439 (15)
C8A	0.3590 (2)	0.3603 (8)	0.08583 (19)	0.0378 (13)
C8B	0.3848 (2)	0.6339 (8)	0.46092 (19)	0.0376 (13)
C7A	0.3343 (2)	0.2996 (7)	0.12847 (19)	0.0383 (14)
C11B	0.3017 (3)	0.4832 (8)	0.3990 (2)	0.0413 (14)
C2B	0.4220 (3)	1.1665 (9)	0.3932 (2)	0.0421 (14)
C7B	0.3766 (2)	0.6980 (7)	0.4130 (2)	0.0369 (13)
C9B	0.3518 (3)	0.5010 (8)	0.4790 (2)	0.0441 (15)
C13A	0.3955 (3)	0.3324 (9)	0.2282 (3)	0.0465 (16)
C10B	0.3106 (3)	0.4282 (8)	0.4476 (2)	0.0425 (15)
C15B	0.2902 (3)	0.6046 (9)	0.3007 (2)	0.0428 (15)
C5A	0.3837 (2)	0.1582 (8)	0.2037 (2)	0.0403 (14)
C6A	0.4012 (3)	0.0037 (9)	0.2289 (2)	0.0438 (15)
C13B	0.4755 (3)	0.6536 (9)	0.3500 (2)	0.0426 (14)
C9A	0.3347 (3)	0.4932 (8)	0.0565 (2)	0.0426 (15)
C14A	0.4402 (3)	0.3541 (10)	0.0374 (2)	0.0460 (16)
C10A	0.2857 (3)	0.5692 (8)	0.0710 (2)	0.0449 (15)
C15A	0.2149 (3)	0.4018 (9)	0.2012 (2)	0.0444 (15)
C14B	0.4435 (3)	0.6412 (11)	0.5361 (2)	0.0522 (18)
H1B	0.4879 (19)	1.229 (7)	0.3516 (16)	0.019 (13)*
H13C	0.451 (2)	0.562 (9)	0.363 (2)	0.050 (18)*
H14A	0.448 (2)	0.462 (8)	0.0435 (19)	0.033 (16)*
H1A	0.404 (2)	−0.262 (9)	0.225 (2)	0.051 (18)*
H14B	0.421 (2)	0.333 (7)	0.003 (2)	0.034 (14)*
H2B	0.409 (2)	1.294 (8)	0.4028 (19)	0.048 (17)*
H11B	0.272 (2)	0.428 (8)	0.374 (2)	0.048 (17)*
H6A	0.421 (2)	0.018 (7)	0.2625 (19)	0.037 (15)*
H15A	0.208 (2)	0.349 (8)	0.234 (2)	0.038 (15)*
H3B	0.362 (3)	1.033 (9)	0.429 (2)	0.055 (19)*
H10A	0.2680 (19)	0.664 (7)	0.0490 (17)	0.026 (13)*
H14C	0.476 (3)	0.281 (9)	0.037 (2)	0.060 (19)*
H6B	0.518 (2)	0.965 (6)	0.3312 (16)	0.023 (13)*
H14D	0.411 (2)	0.665 (8)	0.560 (2)	0.047 (16)*
H15D	0.299 (2)	0.476 (9)	0.2998 (19)	0.043 (16)*
H14E	0.476 (2)	0.709 (8)	0.547 (2)	0.048 (17)*
H13D	0.515 (2)	0.635 (7)	0.3627 (18)	0.036 (14)*
H15E	0.252 (2)	0.627 (7)	0.3128 (18)	0.035 (15)*
H10B	0.285 (2)	0.348 (8)	0.4632 (19)	0.038 (15)*
H13A	0.389 (3)	0.425 (10)	0.205 (3)	0.08 (2)*
H2A	0.363 (2)	−0.287 (8)	0.143 (2)	0.046 (16)*
H15B	0.182 (2)	0.379 (7)	0.176 (2)	0.042 (16)*
H3A	0.327 (2)	−0.027 (7)	0.101 (2)	0.042 (15)*
H14F	0.451 (3)	0.523 (11)	0.534 (3)	0.07 (3)*
H13B	0.372 (3)	0.363 (9)	0.257 (2)	0.07 (2)*
H9B	0.355 (2)	0.464 (8)	0.511 (2)	0.053 (18)*
H15C	0.218 (2)	0.538 (9)	0.2067 (19)	0.043 (16)*
H11A	0.227 (2)	0.568 (8)	0.125 (2)	0.046 (17)*
H15F	0.298 (2)	0.651 (9)	0.268 (2)	0.057 (18)*
H9A	0.354 (3)	0.530 (9)	0.025 (2)	0.065 (19)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
O3B	0.054 (2)	0.036 (3)	0.037 (2)	−0.0052 (19)	−0.0096 (17)	−0.0012 (18)
O2A	0.054 (2)	0.034 (3)	0.040 (2)	0.001 (2)	0.0043 (18)	0.0020 (18)
O3A	0.050 (2)	0.035 (3)	0.041 (2)	0.002 (2)	0.0056 (17)	0.0023 (18)
O2B	0.061 (3)	0.038 (3)	0.038 (2)	−0.006 (2)	−0.0075 (19)	0.0040 (18)
O1A	0.060 (3)	0.040 (3)	0.047 (2)	−0.004 (2)	−0.0092 (19)	−0.010 (2)
O1B	0.067 (3)	0.034 (3)	0.046 (2)	−0.004 (2)	−0.0007 (19)	−0.0094 (19)
C4A	0.040 (3)	0.029 (3)	0.039 (3)	−0.001 (3)	0.002 (2)	0.004 (3)
C4B	0.047 (3)	0.027 (3)	0.031 (3)	−0.005 (3)	−0.007 (2)	0.001 (2)
C12B	0.046 (3)	0.024 (3)	0.037 (3)	0.004 (3)	0.002 (2)	0.002 (2)
C2A	0.050 (4)	0.034 (4)	0.049 (3)	0.004 (3)	−0.001 (3)	0.000 (3)
C12A	0.049 (3)	0.024 (3)	0.035 (3)	−0.003 (3)	−0.002 (2)	0.000 (2)
C1B	0.051 (4)	0.036 (4)	0.036 (3)	−0.005 (3)	−0.001 (3)	0.003 (3)
C5B	0.053 (3)	0.026 (3)	0.034 (3)	0.001 (3)	−0.007 (3)	0.000 (2)
C6B	0.053 (4)	0.028 (4)	0.039 (3)	−0.003 (3)	0.005 (3)	−0.001 (3)
C3A	0.050 (3)	0.030 (4)	0.039 (3)	−0.002 (3)	0.001 (3)	0.000 (3)
C3B	0.048 (3)	0.031 (4)	0.037 (3)	0.002 (3)	−0.006 (3)	−0.002 (3)
C11A	0.050 (4)	0.026 (4)	0.044 (3)	0.000 (3)	−0.002 (3)	−0.002 (3)
C1A	0.054 (4)	0.028 (4)	0.049 (3)	0.004 (3)	−0.002 (3)	0.007 (3)
C8A	0.047 (3)	0.030 (4)	0.036 (3)	0.003 (3)	−0.002 (2)	−0.002 (3)
C8B	0.048 (3)	0.029 (4)	0.035 (3)	−0.003 (3)	−0.002 (2)	0.001 (3)
C7A	0.053 (3)	0.026 (4)	0.035 (3)	−0.007 (3)	−0.006 (2)	0.000 (2)
C11B	0.051 (4)	0.026 (3)	0.046 (3)	0.001 (3)	0.000 (3)	−0.003 (3)
C2B	0.052 (4)	0.034 (4)	0.039 (3)	−0.003 (3)	−0.008 (3)	0.002 (3)
C7B	0.041 (3)	0.027 (3)	0.043 (3)	0.005 (3)	0.004 (2)	−0.001 (3)
C9B	0.058 (4)	0.035 (4)	0.039 (3)	−0.001 (3)	0.007 (3)	0.003 (3)
C13A	0.056 (4)	0.034 (4)	0.048 (4)	−0.001 (3)	−0.009 (3)	−0.008 (3)
C10B	0.056 (4)	0.027 (4)	0.044 (3)	0.000 (3)	0.004 (3)	0.002 (3)
C15B	0.053 (4)	0.034 (4)	0.041 (3)	−0.005 (3)	−0.002 (3)	−0.002 (3)
C5A	0.043 (3)	0.032 (4)	0.045 (3)	0.000 (3)	0.002 (3)	−0.003 (3)
C6A	0.052 (4)	0.036 (4)	0.042 (3)	0.000 (3)	−0.004 (3)	0.006 (3)
C13B	0.054 (4)	0.032 (4)	0.042 (3)	0.001 (3)	0.003 (3)	−0.001 (3)
C9A	0.054 (4)	0.039 (4)	0.034 (3)	−0.003 (3)	0.000 (3)	−0.004 (3)
C14A	0.059 (4)	0.036 (4)	0.044 (4)	−0.002 (4)	0.008 (3)	0.003 (3)
C10A	0.062 (4)	0.030 (4)	0.041 (3)	0.001 (3)	−0.011 (3)	0.003 (3)
C15A	0.053 (4)	0.036 (4)	0.044 (4)	0.004 (3)	0.005 (3)	0.001 (3)
C14B	0.073 (5)	0.044 (5)	0.037 (3)	−0.012 (4)	−0.013 (3)	0.009 (3)

Geometric parameters (Å, º)

O3B—C12B	1.375 (6)	C11A—H11A	0.96 (6)
O3B—C15B	1.424 (7)	C1A—C6A	1.363 (9)
O2A—C8A	1.371 (6)	C1A—H1A	0.96 (6)
O2A—C14A	1.436 (7)	C8A—C7A	1.404 (7)
O3A—C12A	1.371 (6)	C8A—C9A	1.393 (8)
O3A—C15A	1.424 (7)	C8B—C7B	1.389 (7)
O2B—C8B	1.378 (6)	C8B—C9B	1.391 (8)
O2B—C14B	1.433 (7)	C11B—C10B	1.383 (8)
O1A—H1AA	0.8400	C11B—H11B	1.04 (6)
O1A—C13A	1.417 (7)	C2B—H2B	1.06 (6)
O1B—H1BA	0.8400	C9B—C10B	1.382 (8)
O1B—C13B	1.437 (7)	C9B—H9B	0.92 (6)
C4A—C3A	1.401 (8)	C13A—C5A	1.505 (8)
C4A—C7A	1.498 (8)	C13A—H13A	0.95 (8)
C4A—C5A	1.394 (7)	C13A—H13B	1.03 (7)
C4B—C5B	1.397 (8)	C10B—H10B	0.97 (6)
C4B—C3B	1.397 (8)	C15B—H15D	1.01 (6)
C4B—C7B	1.494 (8)	C15B—H15E	1.00 (5)
C12B—C11B	1.395 (8)	C15B—H15F	0.97 (6)
C12B—C7B	1.401 (7)	C5A—C6A	1.415 (8)
C2A—C3A	1.386 (8)	C6A—H6A	1.00 (5)
C2A—C1A	1.379 (8)	C13B—H13C	0.98 (6)
C2A—H2A	1.00 (6)	C13B—H13D	1.00 (5)
C12A—C11A	1.396 (8)	C9A—C10A	1.383 (8)
C12A—C7A	1.394 (8)	C9A—H9A	1.02 (6)
C1B—C6B	1.366 (8)	C14A—H14A	0.86 (6)
C1B—C2B	1.376 (8)	C14A—H14B	1.02 (5)
C1B—H1B	0.90 (5)	C14A—H14C	1.03 (7)
C5B—C6B	1.411 (8)	C10A—H10A	1.02 (5)
C5B—C13B	1.504 (8)	C15A—H15A	0.99 (5)
C6B—H6B	1.02 (5)	C15A—H15B	1.01 (6)
C3A—H3A	1.05 (5)	C15A—H15C	1.05 (6)
C3B—C2B	1.392 (8)	C14B—H14D	1.06 (6)
C3B—H3B	0.97 (6)	C14B—H14E	0.97 (6)
C11A—C10A	1.383 (8)	C14B—H14F	0.92 (8)
C12B—O3B—C15B	117.9 (5)	C12B—C7B—C4B	121.2 (5)
C8A—O2A—C14A	117.8 (5)	C8B—C7B—C4B	121.4 (5)
C12A—O3A—C15A	117.8 (5)	C8B—C7B—C12B	117.3 (5)
C8B—O2B—C14B	117.6 (5)	C8B—C9B—H9B	122 (4)
C13A—O1A—H1AA	109.5	C10B—C9B—C8B	118.4 (6)
C13B—O1B—H1BA	109.5	C10B—C9B—H9B	119 (4)
C3A—C4A—C7A	118.5 (5)	O1A—C13A—C5A	108.4 (5)
C5A—C4A—C3A	119.0 (5)	O1A—C13A—H13A	110 (4)
C5A—C4A—C7A	122.5 (5)	O1A—C13A—H13B	107 (4)
C5B—C4B—C7B	122.5 (5)	C5A—C13A—H13A	111 (5)
C3B—C4B—C5B	118.7 (5)	C5A—C13A—H13B	116 (4)
C3B—C4B—C7B	118.8 (5)	H13A—C13A—H13B	105 (6)
O3B—C12B—C11B	123.7 (5)	C11B—C10B—H10B	123 (3)
O3B—C12B—C7B	114.5 (5)	C9B—C10B—C11B	121.9 (6)
C11B—C12B—C7B	121.8 (5)	C9B—C10B—H10B	115 (3)
C3A—C2A—H2A	117 (3)	O3B—C15B—H15D	106 (3)
C1A—C2A—C3A	119.2 (6)	O3B—C15B—H15E	109 (3)
C1A—C2A—H2A	123 (3)	O3B—C15B—H15F	106 (4)
O3A—C12A—C11A	123.6 (5)	H15D—C15B—H15E	112 (5)
O3A—C12A—C7A	115.0 (5)	H15D—C15B—H15F	106 (5)
C7A—C12A—C11A	121.4 (5)	H15E—C15B—H15F	117 (5)
C6B—C1B—C2B	120.9 (6)	C4A—C5A—C13A	122.4 (5)
C6B—C1B—H1B	112 (3)	C4A—C5A—C6A	118.8 (5)
C2B—C1B—H1B	126 (3)	C6A—C5A—C13A	118.8 (5)
C4B—C5B—C6B	118.8 (5)	C1A—C6A—C5A	120.8 (6)
C4B—C5B—C13B	122.6 (5)	C1A—C6A—H6A	122 (3)
C6B—C5B—C13B	118.6 (5)	C5A—C6A—H6A	117 (3)
C1B—C6B—C5B	121.1 (6)	O1B—C13B—C5B	112.1 (5)
C1B—C6B—H6B	121 (3)	O1B—C13B—H13C	105 (3)
C5B—C6B—H6B	118 (3)	O1B—C13B—H13D	112 (3)
C4A—C3A—H3A	116 (3)	C5B—C13B—H13C	109 (4)
C2A—C3A—C4A	121.3 (5)	C5B—C13B—H13D	109 (3)
C2A—C3A—H3A	123 (3)	H13C—C13B—H13D	110 (5)
C4B—C3B—H3B	119 (4)	C8A—C9A—H9A	119 (4)
C2B—C3B—C4B	121.6 (6)	C10A—C9A—C8A	118.5 (5)
C2B—C3B—H3B	120 (4)	C10A—C9A—H9A	123 (4)
C12A—C11A—H11A	116 (3)	O2A—C14A—H14A	112 (4)
C10A—C11A—C12A	119.0 (6)	O2A—C14A—H14B	111 (3)
C10A—C11A—H11A	125 (3)	O2A—C14A—H14C	106 (3)
C2A—C1A—H1A	118 (4)	H14A—C14A—H14B	114 (5)
C6A—C1A—C2A	120.8 (6)	H14A—C14A—H14C	110 (5)
C6A—C1A—H1A	121 (4)	H14B—C14A—H14C	104 (4)
O2A—C8A—C7A	115.2 (5)	C11A—C10A—H10A	120 (3)
O2A—C8A—C9A	123.0 (5)	C9A—C10A—C11A	121.6 (6)
C9A—C8A—C7A	121.8 (5)	C9A—C10A—H10A	118 (3)
O2B—C8B—C7B	114.1 (5)	O3A—C15A—H15A	106 (3)
O2B—C8B—C9B	123.6 (5)	O3A—C15A—H15B	111 (3)
C7B—C8B—C9B	122.2 (5)	O3A—C15A—H15C	114 (3)
C12A—C7A—C4A	120.8 (5)	H15A—C15A—H15B	112 (4)
C12A—C7A—C8A	117.6 (5)	H15A—C15A—H15C	107 (4)
C8A—C7A—C4A	121.5 (5)	H15B—C15A—H15C	108 (4)
C12B—C11B—H11B	118 (3)	O2B—C14B—H14D	109 (3)
C10B—C11B—C12B	118.3 (6)	O2B—C14B—H14E	104 (3)
C10B—C11B—H11B	124 (3)	O2B—C14B—H14F	112 (4)
C1B—C2B—C3B	118.9 (6)	H14D—C14B—H14E	108 (5)
C1B—C2B—H2B	120 (3)	H14D—C14B—H14F	110 (6)
C3B—C2B—H2B	121 (3)	H14E—C14B—H14F	114 (6)
O3B—C12B—C11B—C10B	179.2 (5)	C11A—C12A—C7A—C4A	−173.1 (5)
O3B—C12B—C7B—C4B	4.4 (7)	C11A—C12A—C7A—C8A	3.8 (8)
O3B—C12B—C7B—C8B	−177.4 (5)	C1A—C2A—C3A—C4A	1.3 (9)
O2A—C8A—C7A—C4A	−6.5 (8)	C8A—C9A—C10A—C11A	0.2 (9)
O2A—C8A—C7A—C12A	176.7 (5)	C8B—C9B—C10B—C11B	0.5 (9)
O2A—C8A—C9A—C10A	−178.6 (5)	C7A—C4A—C3A—C2A	−177.6 (5)
O3A—C12A—C11A—C10A	179.2 (5)	C7A—C4A—C5A—C13A	−4.6 (8)
O3A—C12A—C7A—C4A	5.8 (7)	C7A—C4A—C5A—C6A	176.5 (5)
O3A—C12A—C7A—C8A	−177.3 (5)	C7A—C12A—C11A—C10A	−2.0 (9)
O2B—C8B—C7B—C4B	−4.6 (8)	C7A—C8A—C9A—C10A	1.7 (9)
O2B—C8B—C7B—C12B	177.3 (5)	C11B—C12B—C7B—C4B	−175.5 (5)
O2B—C8B—C9B—C10B	−178.8 (5)	C11B—C12B—C7B—C8B	2.6 (8)
O1A—C13A—C5A—C4A	−131.7 (6)	C2B—C1B—C6B—C5B	0.4 (8)
O1A—C13A—C5A—C6A	47.1 (7)	C7B—C4B—C5B—C6B	−179.0 (5)
C4A—C5A—C6A—C1A	0.7 (9)	C7B—C4B—C5B—C13B	1.7 (8)
C4B—C5B—C6B—C1B	−1.2 (8)	C7B—C4B—C3B—C2B	−179.7 (5)
C4B—C5B—C13B—O1B	114.1 (6)	C7B—C12B—C11B—C10B	−0.8 (9)
C4B—C3B—C2B—C1B	−1.4 (8)	C7B—C8B—C9B—C10B	1.5 (9)
C12B—C11B—C10B—C9B	−0.8 (9)	C9B—C8B—C7B—C4B	175.1 (5)
C2A—C1A—C6A—C5A	0.7 (9)	C9B—C8B—C7B—C12B	−3.0 (8)
C12A—C11A—C10A—C9A	−0.1 (9)	C13A—C5A—C6A—C1A	−178.2 (6)
C5B—C4B—C3B—C2B	0.6 (8)	C15B—O3B—C12B—C11B	−1.0 (8)
C5B—C4B—C7B—C12B	−81.8 (7)	C15B—O3B—C12B—C7B	179.1 (5)
C5B—C4B—C7B—C8B	100.1 (6)	C5A—C4A—C3A—C2A	0.1 (8)
C6B—C1B—C2B—C3B	0.9 (8)	C5A—C4A—C7A—C12A	−72.9 (7)
C6B—C5B—C13B—O1B	−65.2 (7)	C5A—C4A—C7A—C8A	110.4 (6)
C3A—C4A—C7A—C12A	104.7 (6)	C13B—C5B—C6B—C1B	178.2 (5)
C3A—C4A—C7A—C8A	−72.0 (7)	C9A—C8A—C7A—C4A	173.2 (5)
C3A—C4A—C5A—C13A	177.8 (5)	C9A—C8A—C7A—C12A	−3.6 (8)
C3A—C4A—C5A—C6A	−1.0 (8)	C14A—O2A—C8A—C7A	−169.8 (5)
C3A—C2A—C1A—C6A	−1.7 (9)	C14A—O2A—C8A—C9A	10.5 (8)
C3B—C4B—C5B—C6B	0.7 (7)	C15A—O3A—C12A—C11A	0.2 (8)
C3B—C4B—C5B—C13B	−178.7 (5)	C15A—O3A—C12A—C7A	−178.6 (5)
C3B—C4B—C7B—C12B	98.5 (6)	C14B—O2B—C8B—C7B	−172.3 (6)
C3B—C4B—C7B—C8B	−79.6 (7)	C14B—O2B—C8B—C9B	8.0 (9)

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (4_1_24a)

Crystal data

C115.572H79.804I18N36O1.514Zn9	F(000) = 18091
Mr = 4869.59	Dx = 1.339 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 78.549 (10) Å	Cell parameters from 5081 reflections
b = 14.9682 (8) Å	θ = 2.3–70.1°
c = 41.688 (3) Å	µ = 19.31 mm^−1
β = 99.709 (11)°	T = 100 K
V = 48312 (8) Å^3	Block, light yellow
Z = 8	0.26 × 0.23 × 0.11 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	43775 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	29042 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.093
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.3°
profile data from ω–scans	h = −93→94
Absorption correction: analytical CrysAlisPro 1.171.41.89a (Rigaku Oxford Diffraction, 2020) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −17→14
Tmin = 0.043, Tmax = 0.274	l = −50→41
146635 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.174	H-atom parameters constrained
wR(F^2) = 0.500	w = 1/[σ^2(Fo^2) + (0.2254P)^2 + 2478.5P] where P = (Fo^2 + 2Fc^2)/3
S = 1.03	(Δ/σ)max = 0.004
43775 reflections	Δρmax = 1.57 e Å^−3
1877 parameters	Δρmin = −1.11 e Å^−3
958 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I303	0.41422 (7)	−0.4965 (3)	0.74128 (15)	0.075 (2)	0.51 (2)
I416	0.04800 (10)	1.3832 (8)	0.2129 (3)	0.059 (2)	0.2148
I415	0.0961 (3)	1.4854 (10)	0.2643 (5)	0.1178 (15)	0.2148
I306	0.37874 (9)	−0.3998 (5)	0.40042 (17)	0.0909 (17)	0.533 (16)
I304	0.36529 (7)	−0.3442 (6)	0.74383 (19)	0.087 (2)	0.51 (2)
I309	0.24669 (7)	0.01909 (15)	0.39631 (7)	0.1218 (14)	0.845 (8)
I413	0.22626 (16)	0.9679 (9)	0.2747 (3)	0.120 (4)*	0.184 (6)
I317	0.0798 (2)	0.5110 (4)	0.05472 (18)	0.255 (9)	0.4481
I305	0.43317 (10)	−0.5021 (3)	0.43220 (16)	0.1004 (19)	0.533 (16)
I310	0.19792 (4)	0.1670 (3)	0.40513 (8)	0.1245 (13)	0.845 (8)
I414	0.22948 (16)	0.9406 (10)	0.1694 (4)	0.123 (5)*	0.184 (6)
I312	0.21794 (6)	0.1062 (2)	0.05810 (6)	0.1279 (13)	0.824 (6)
I318	0.03270 (14)	0.6663 (10)	0.06752 (18)	0.220 (8)	0.4481
I302	0.55939 (4)	−0.03782 (14)	0.84116 (8)	0.1060 (10)	0.727 (5)
I301	0.55920 (4)	−0.03355 (15)	0.94603 (7)	0.1055 (11)	0.727 (5)
I311	0.27216 (7)	0.02023 (19)	0.10059 (9)	0.1487 (17)	0.824 (6)
Zn48	0.0768 (3)	1.3533 (18)	0.2457 (8)	0.0932 (13)	0.2148
Zn32	0.39682 (10)	−0.3534 (5)	0.7381 (2)	0.066 (3)	0.51 (2)
Zn39	0.06350 (17)	0.6566 (7)	0.0574 (2)	0.148 (7)	0.4481
Zn33	0.40938 (14)	−0.3841 (8)	0.4261 (3)	0.0874 (19)	0.533 (16)
Zn35	0.22895 (7)	0.1606 (3)	0.39549 (10)	0.0926 (13)	0.845 (8)
Zn36	0.24827 (9)	0.1333 (3)	0.08643 (11)	0.0995 (17)	0.824 (6)
Zn47	0.2171 (2)	0.8963 (10)	0.2200 (4)	0.097 (7)*	0.184 (6)
Zn31	0.54762 (6)	−0.0951 (2)	0.89016 (13)	0.0815 (13)	0.727 (5)
N327	0.1307 (3)	1.0259 (10)	0.1914 (3)	0.067 (4)
N303	0.4602 (3)	0.0348 (11)	0.8711 (4)	0.086 (6)
N334	0.0583 (3)	0.9425 (9)	−0.1337 (3)	0.073 (5)
N322	0.2278 (3)	0.4312 (11)	0.2024 (4)	0.075 (5)
N332	0.0644 (3)	0.8108 (9)	−0.1028 (4)	0.082 (6)
N333	0.0565 (2)	0.9426 (9)	−0.0769 (3)	0.069 (5)
N308	0.3946 (3)	−0.0716 (10)	0.6011 (3)	0.083 (6)
N312	0.3877 (3)	0.2427 (12)	0.5540 (6)	0.092 (5)
N304	0.4324 (3)	−0.0156 (10)	0.8466 (4)	0.082 (5)
N329	0.0896 (3)	1.2570 (12)	0.2227 (5)	0.087 (6)
N326	0.1277 (3)	0.8980 (12)	0.1590 (4)	0.082 (5)
C379	0.1142 (3)	1.0357 (10)	0.1854 (4)	0.067 (6)
N302	0.4579 (3)	−0.0951 (12)	0.8403 (4)	0.087 (6)
N309	0.4015 (3)	−0.2082 (11)	0.5788 (4)	0.092 (6)
N314	0.2933 (3)	0.3916 (14)	0.4984 (5)	0.090 (6)
N330	0.0793 (3)	0.7373 (12)	0.0904 (4)	0.084 (5)
N324	0.2204 (3)	0.7589 (11)	0.2134 (5)	0.086 (5)
N321	0.2325 (3)	0.3071 (11)	0.2369 (4)	0.080 (5)
N331	0.0647 (3)	0.7202 (11)	0.0135 (4)	0.093 (5)
N335	0.0508 (3)	1.2649 (12)	−0.1106 (5)	0.099 (6)
N315	0.2979 (3)	0.5203 (12)	0.5313 (5)	0.089 (6)
N318	0.2434 (3)	0.2462 (13)	0.4282 (5)	0.092 (5)
N311	0.4113 (6)	−0.310 (2)	0.4683 (6)	0.090 (8)	0.7154
N328	0.1021 (3)	0.9777 (10)	0.1669 (4)	0.086 (6)
N325	0.1914 (3)	0.9135 (12)	0.1982 (5)	0.091 (6)
N313	0.3581 (3)	0.3959 (13)	0.5366 (5)	0.094 (6)
N306	0.4092 (3)	−0.2649 (12)	0.7722 (5)	0.088 (6)
N336	0.0750 (3)	0.7157 (10)	−0.2113 (4)	0.089 (6)
C397	0.0557 (4)	0.9814 (14)	−0.1072 (4)	0.086 (7)
N323	0.2456 (3)	0.2048 (11)	0.1304 (4)	0.103 (6)
C343	0.2819 (4)	0.5295 (14)	0.5264 (5)	0.083 (7)
C393	0.0614 (3)	0.8104 (12)	−0.0444 (4)	0.074 (5)
N320	0.2244 (3)	0.4437 (10)	0.2590 (4)	0.084 (5)
C307	0.4432 (4)	0.0448 (15)	0.8644 (5)	0.079 (6)
C357	0.2279 (3)	0.3139 (12)	0.2931 (4)	0.076 (6)
N319	0.2296 (3)	0.2251 (11)	0.3523 (4)	0.091 (6)
C380	0.1110 (4)	0.9112 (12)	0.1546 (5)	0.084 (7)
C385	0.0883 (4)	1.1372 (14)	0.1870 (6)	0.088 (7)
H385	0.081439	1.101624	0.170923	0.105*
C363	0.2364 (3)	0.2937 (13)	0.1825 (5)	0.080 (5)
C388	0.1002 (3)	0.8464 (12)	0.1332 (5)	0.075 (6)
C308	0.4407 (4)	−0.0855 (13)	0.8355 (4)	0.078 (6)
C316	0.4295 (4)	−0.1482 (14)	0.8133 (5)	0.084 (7)
C352	0.2651 (4)	0.3516 (15)	0.4729 (6)	0.091 (6)
C381	0.1057 (3)	1.1134 (14)	0.1971 (5)	0.075 (6)
N307	0.3990 (3)	−0.2850 (13)	0.6951 (4)	0.104 (6)
N316	0.2692 (3)	0.4730 (15)	0.5089 (4)	0.104 (7)
C309	0.4357 (2)	0.1255 (8)	0.8753 (4)	0.094 (6)
C310	0.44631 (19)	0.1837 (11)	0.8956 (5)	0.122 (8)
H310	0.458368	0.172533	0.900853	0.147*
C311	0.4393 (2)	0.2583 (10)	0.9083 (4)	0.124 (8)
H311	0.446494	0.298026	0.922261	0.148*
N305	0.4216 (2)	0.2746 (7)	0.9007 (3)	0.093 (5)
C312	0.41104 (19)	0.2164 (9)	0.8804 (4)	0.099 (6)
H312	0.398981	0.227604	0.875132	0.118*
C313	0.4181 (2)	0.1419 (8)	0.8676 (3)	0.096 (6)
H313	0.410854	0.102110	0.853723	0.115*
C378	0.1373 (4)	0.9546 (13)	0.1788 (4)	0.079 (6)
N310	0.3960 (3)	−0.0828 (13)	0.5448 (5)	0.105 (7)
C406	0.0666 (4)	0.8048 (13)	−0.1574 (5)	0.089 (7)
C395	0.0690 (4)	0.6837 (15)	−0.0121 (5)	0.090 (6)
H395	0.073301	0.624272	−0.010141	0.109*
C361	0.2325 (3)	0.3459 (10)	0.2089 (5)	0.078 (6)
C402	0.0482 (4)	1.2217 (13)	−0.1365 (6)	0.089 (6)
H402	0.045109	1.253145	−0.156463	0.107*	0.727 (5)
C404	0.0763 (3)	0.6737 (15)	−0.1822 (5)	0.079 (6)
H404	0.080731	0.614685	−0.179304	0.095*
C384	0.0810 (4)	1.2079 (14)	0.1991 (5)	0.085 (7)
H384	0.069331	1.222814	0.190437	0.102*
C405	0.0710 (4)	0.7192 (16)	−0.1568 (4)	0.100 (9)
H405	0.070324	0.686650	−0.137465	0.120*
C317	0.4126 (4)	−0.1413 (15)	0.8069 (5)	0.084 (7)
H317	0.407161	−0.094336	0.816741	0.101*
C362	0.2247 (3)	0.4772 (14)	0.2282 (5)	0.082 (6)
C326	0.3936 (4)	−0.0383 (15)	0.5708 (6)	0.094 (7)
C382	0.1153 (3)	1.1711 (17)	0.2206 (7)	0.096 (8)
H382	0.127448	1.164050	0.227240	0.116*
C344	0.2767 (4)	0.4104 (17)	0.4940 (4)	0.091 (7)
C334	0.3910 (3)	0.0593 (14)	0.5666 (5)	0.082 (6)
C327	0.4043 (9)	−0.2188 (18)	0.5216 (6)	0.090 (8)	0.7154
C399	0.0533 (3)	1.0808 (13)	−0.1075 (5)	0.082 (6)
C342	0.3033 (4)	0.4471 (16)	0.5172 (5)	0.087 (7)
C325	0.4001 (3)	−0.1699 (14)	0.5502 (6)	0.085 (6)
C329	0.4099 (10)	−0.351 (2)	0.4946 (8)	0.090 (8)	0.7154
H329	0.410311	−0.413929	0.494347	0.107*	0.7154
C353	0.2479 (4)	0.3482 (16)	0.4720 (5)	0.094 (6)
H353	0.242944	0.383006	0.487180	0.112*
C306	0.4667 (4)	−0.0342 (17)	0.8585 (6)	0.094 (7)
C355	0.2336 (4)	0.1824 (17)	0.3265 (6)	0.099 (8)
H355	0.237138	0.121717	0.328827	0.118*
C375	0.1566 (4)	0.9416 (14)	0.1858 (5)	0.083 (6)
C339	0.3223 (5)	0.4325 (19)	0.5250 (6)	0.110 (10)
C398	0.0632 (3)	0.8527 (13)	−0.1295 (4)	0.074 (6)
C328	0.4077 (5)	−0.3102 (17)	0.5238 (6)	0.090 (8)	0.7154
H328	0.408403	−0.342556	0.543548	0.107*	0.7154
C389	0.0832 (4)	0.8346 (14)	0.1343 (5)	0.090 (8)
H389	0.078386	0.864834	0.150740	0.108*
C321	0.3982 (4)	−0.1986 (14)	0.6346 (5)	0.093 (6)
C324	0.3986 (4)	−0.1565 (12)	0.6033 (5)	0.086 (7)
C364	0.2413 (4)	0.2038 (16)	0.1849 (6)	0.097 (6)
H364	0.241439	0.172402	0.204774	0.117*
C401	0.0537 (4)	1.2213 (15)	−0.0828 (6)	0.094 (6)
H401	0.055827	1.254933	−0.063209	0.113*
C320	0.4031 (4)	−0.2922 (15)	0.6414 (5)	0.102 (7)
H320	0.406724	−0.326467	0.624572	0.122*
C354	0.2371 (4)	0.2965 (18)	0.4500 (6)	0.103 (6)
H354	0.225011	0.296526	0.450270	0.123*
C368	0.2212 (3)	0.7272 (15)	0.2443 (7)	0.092 (7)
H368	0.222184	0.768134	0.261934	0.110*
C318	0.4021 (4)	−0.2016 (13)	0.7859 (5)	0.090 (8)
H318	0.389875	−0.195070	0.781931	0.108*
C360	0.2285 (3)	0.3555 (15)	0.2612 (5)	0.084 (6)
C396	0.0610 (3)	0.8576 (14)	−0.0756 (4)	0.081 (6)
C403	0.0498 (4)	1.1265 (13)	−0.1375 (5)	0.091 (6)
H403	0.048471	1.095265	−0.157593	0.109*
C356	0.2328 (4)	0.2220 (18)	0.2972 (6)	0.109 (9)
H356	0.235535	0.188842	0.279252	0.130*
C390	0.0723 (5)	0.7797 (18)	0.1124 (7)	0.114 (10)
H390	0.060325	0.773738	0.113446	0.137*
C370	0.2226 (4)	0.5724 (16)	0.2250 (7)	0.100 (8)
C358	0.2244 (4)	0.3567 (15)	0.3192 (5)	0.097 (8)
H358	0.221422	0.418287	0.317754	0.116*
C407	0.0658 (5)	0.8432 (14)	−0.1878 (5)	0.119 (12)
H407	0.062948	0.904670	−0.190390	0.143*
C323	0.3954 (4)	−0.1984 (15)	0.6914 (5)	0.110 (7)
H323	0.393152	−0.165597	0.709745	0.132*
C359	0.2251 (4)	0.3128 (15)	0.3481 (5)	0.104 (9)
H359	0.222212	0.344832	0.366173	0.125*
C400	0.0539 (4)	1.1314 (14)	−0.0807 (5)	0.094 (6)
H400	0.054510	1.103610	−0.060028	0.112*
C336	0.3853 (5)	0.1859 (16)	0.5291 (7)	0.123 (11)
H336	0.381452	0.206159	0.507478	0.148*
C372	0.2197 (5)	0.7029 (16)	0.1875 (7)	0.138 (14)
H372	0.217967	0.725923	0.165986	0.165*
C394	0.0678 (4)	0.7243 (13)	−0.0420 (5)	0.087 (6)
H394	0.071317	0.694815	−0.059976	0.104*
C335	0.3889 (4)	0.0921 (15)	0.5359 (6)	0.099 (8)
H335	0.389896	0.052699	0.518434	0.119*
C314	0.4257 (5)	−0.2787 (15)	0.7819 (7)	0.109 (9)
H314	0.430518	−0.329920	0.773368	0.131*
C337	0.3511 (4)	0.454 (3)	0.5544 (9)	0.139 (14)
H337	0.358428	0.483343	0.571615	0.167*
C319	0.4027 (4)	−0.3293 (17)	0.6683 (6)	0.109 (7)
H319	0.405045	−0.391524	0.670198	0.131*
C383	0.1062 (4)	1.2386 (17)	0.2335 (6)	0.103 (9)
H383	0.112078	1.273325	0.250962	0.123*
C366	0.2414 (5)	0.2840 (16)	0.1260 (6)	0.118 (8)
H366	0.240837	0.309351	0.104956	0.142*
C374	0.1652 (4)	0.979 (3)	0.2125 (11)	0.094 (9)	0.59 (6)
H374	0.159977	1.017125	0.226097	0.113*	0.59 (6)
C315	0.4370 (4)	−0.2258 (17)	0.8037 (7)	0.100 (8)
H315	0.448760	−0.241425	0.811150	0.120*
C408	0.0690 (5)	0.7969 (17)	−0.2139 (6)	0.125 (12)
H408	0.066795	0.824247	−0.234697	0.150*
C322	0.3949 (4)	−0.1542 (16)	0.6622 (6)	0.106 (7)
H322	0.392154	−0.092312	0.660928	0.127*
C331	0.4064 (5)	−0.1747 (19)	0.4929 (5)	0.090 (8)	0.7154
H331	0.405333	−0.111585	0.491188	0.107*	0.7154
C392	0.0574 (4)	0.8523 (14)	−0.0189 (5)	0.099 (7)
H392	0.053613	0.912619	−0.020229	0.119*
C340	0.3317 (5)	0.366 (2)	0.5060 (9)	0.138 (14)
H340	0.325016	0.329755	0.489712	0.165*
C333	0.3912 (5)	0.1205 (15)	0.5923 (7)	0.128 (12)
H333	0.392101	0.099778	0.614011	0.153*
C367	0.2375 (4)	0.3387 (16)	0.1523 (5)	0.104 (7)
H367	0.235642	0.401196	0.149857	0.125*
C376	0.1656 (4)	0.899 (4)	0.1618 (10)	0.094 (9)	0.59 (6)
H376	0.159242	0.876609	0.141998	0.113*	0.59 (6)
C332	0.3901 (4)	0.2143 (15)	0.5854 (7)	0.096 (7)
H332	0.391144	0.256374	0.602718	0.115*
C391	0.0591 (4)	0.8042 (14)	0.0104 (5)	0.107 (7)
H391	0.056064	0.833086	0.028902	0.128*
C369	0.2207 (4)	0.6347 (15)	0.2505 (7)	0.104 (9)
H369	0.219154	0.613689	0.271273	0.125*
C373	0.1838 (4)	0.954 (4)	0.2195 (10)	0.094 (9)	0.59 (6)
H373	0.190351	0.969091	0.240118	0.113*	0.59 (6)
C371	0.2215 (4)	0.6115 (15)	0.1930 (7)	0.112 (10)
H371	0.222112	0.573303	0.175036	0.134*
C338	0.3337 (6)	0.473 (3)	0.5492 (9)	0.162 (17)
H338	0.329514	0.515827	0.562788	0.194*
C377	0.1833 (4)	0.892 (4)	0.1685 (9)	0.094 (9)	0.59 (6)
H377	0.189570	0.871487	0.152297	0.113*	0.59 (6)
C341	0.3486 (5)	0.356 (3)	0.5114 (10)	0.167 (19)
H341	0.354060	0.320693	0.497189	0.200*
C330	0.4100 (5)	−0.224 (2)	0.4678 (6)	0.090 (8)	0.7154
H330	0.411632	−0.193160	0.448526	0.107*	0.7154
C387	0.1063 (5)	0.802 (2)	0.1097 (9)	0.148 (15)
H387	0.118260	0.805012	0.108380	0.178*
C386	0.0951 (5)	0.751 (2)	0.0868 (8)	0.132 (12)
H386	0.099283	0.725539	0.068669	0.159*
I316	0.05000 (8)	1.3938 (4)	0.21849 (15)	0.151 (3)	0.7852
Zn38	0.07935 (8)	1.3581 (5)	0.2479 (2)	0.0932 (13)	0.7852
I315	0.10327 (6)	1.4697 (2)	0.26658 (11)	0.1178 (15)	0.7852
C345	0.2739 (4)	0.6108 (19)	0.5388 (6)	0.103 (7)
I409	0.2339 (4)	0.0143 (8)	0.3930 (4)	0.1218 (14)	0.155 (8)
Zn45	0.2252 (3)	0.1762 (13)	0.3962 (4)	0.0926 (13)	0.155 (8)
I410	0.1949 (3)	0.2109 (16)	0.4054 (8)	0.213 (16)	0.155 (8)
I406	0.3829 (2)	−0.3969 (8)	0.3946 (2)	0.175 (5)	0.467 (16)
Zn43	0.4130 (2)	−0.3704 (9)	0.4212 (3)	0.0874 (19)	0.467 (16)
I405	0.4377 (3)	−0.4813 (9)	0.4359 (4)	0.211 (7)	0.467 (16)
I402	0.55970 (16)	−0.0850 (6)	0.8137 (3)	0.158 (5)	0.273 (5)
Zn41	0.5500 (2)	−0.1059 (8)	0.8678 (4)	0.124 (6)	0.273 (5)
I401	0.56293 (16)	−0.0140 (6)	0.9163 (3)	0.150 (4)	0.273 (5)
I314	0.22815 (4)	0.91759 (16)	0.14807 (8)	0.1151 (10)	0.816 (6)
Zn37	0.21815 (5)	0.8969 (2)	0.20228 (13)	0.0845 (11)	0.816 (6)
I313	0.23042 (3)	0.99008 (13)	0.25188 (7)	0.1029 (10)	0.816 (6)
N301	0.52195 (19)	−0.0741 (11)	0.8812 (5)	0.105 (7)
C305	0.5125 (3)	−0.1161 (13)	0.8542 (5)	0.167 (17)
H305	0.518179	−0.152861	0.840764	0.201*
C304	0.4947 (3)	−0.1042 (15)	0.8469 (4)	0.147 (14)
H304	0.488240	−0.132913	0.828458	0.177*
C303	0.48638 (19)	−0.0504 (12)	0.8666 (5)	0.092 (7)
C302	0.4958 (3)	−0.0084 (13)	0.8936 (5)	0.150 (17)
H302	0.490146	0.028355	0.907081	0.180*
C301	0.5136 (3)	−0.0203 (13)	0.9009 (5)	0.153 (15)
H301	0.520084	0.008409	0.919387	0.184*
C349	0.2568 (4)	0.6385 (16)	0.5290 (5)	0.095 (6)
H349	0.249566	0.604064	0.513024	0.114*
C346	0.2846 (5)	0.663 (2)	0.5626 (9)	0.134 (11)
H346	0.296492	0.650298	0.569210	0.161*
I404	0.36265 (19)	−0.3240 (14)	0.7422 (3)	0.186 (6)	0.49 (2)
Zn42	0.3940 (2)	−0.3424 (9)	0.7370 (2)	0.138 (8)	0.49 (2)
I403	0.4088 (3)	−0.4912 (5)	0.7346 (3)	0.201 (6)	0.49 (2)
I308	0.39334 (18)	0.4110 (8)	0.4907 (3)	0.200 (7)	0.4234
Zn34	0.38441 (18)	0.3801 (7)	0.5445 (3)	0.1029 (13)	0.4234
I307	0.39627 (15)	0.4717 (7)	0.5950 (3)	0.195 (6)	0.4234
N317	0.2595 (4)	0.7625 (14)	0.5644 (6)	0.109 (6)
C347	0.2762 (5)	0.738 (2)	0.5764 (9)	0.140 (11)
H347	0.282531	0.771225	0.593961	0.168*
Zn46	0.2605 (3)	0.1300 (11)	0.1015 (4)	0.117 (8)	0.176 (6)
I412	0.2354 (4)	0.0587 (12)	0.0647 (3)	0.192 (12)	0.176 (6)
I411	0.2874 (3)	0.0542 (9)	0.1306 (6)	0.200 (13)	0.176 (6)
I408	0.39371 (10)	0.3932 (3)	0.48675 (9)	0.0865 (15)	0.5322
Zn44	0.38450 (16)	0.3794 (6)	0.5416 (3)	0.1029 (13)	0.5322
I407	0.39813 (8)	0.4774 (3)	0.58977 (9)	0.0751 (12)	0.5322
I508	0.3824 (5)	0.401 (3)	0.4786 (9)	0.080*	0.0444
I507	0.3851 (5)	0.479 (2)	0.5840 (8)	0.080*	0.0444
Zn54	0.385 (2)	0.365 (4)	0.5382 (10)	0.080*	0.0444
C365	0.2458 (4)	0.1601 (16)	0.1579 (5)	0.096 (6)
H365	0.249119	0.098894	0.159228	0.115*
C348	0.2497 (5)	0.7134 (18)	0.5414 (7)	0.120 (8)
H348	0.238044	0.729767	0.533719	0.143*
I417	0.08076 (10)	0.5103 (4)	0.05660 (18)	0.118 (2)	0.5116
Zn49	0.06366 (9)	0.6543 (5)	0.05712 (18)	0.075 (3)	0.5116
I418	0.03289 (6)	0.6650 (6)	0.06772 (17)	0.121 (3)	0.5116
I517	0.0956 (5)	0.528 (3)	0.0598 (11)	0.080*	0.0402
Zn59	0.0718 (6)	0.644 (4)	0.057 (3)	0.080*	0.0402
I518	0.0406 (5)	0.605 (3)	0.0584 (10)	0.080*	0.0402
O3A	0.4585 (3)	0.4295 (17)	0.3071 (6)	0.073 (6)	0.5048
C1A	0.4599 (5)	0.1727 (16)	0.2377 (8)	0.082 (8)	0.5048
H1A	0.458213	0.111039	0.232767	0.099*	0.5048
O1A	0.5049 (4)	0.2538 (16)	0.2993 (7)	0.078 (7)	0.5048
H1AA	0.500684	0.202076	0.298700	0.118*	0.5048
O2A	0.4771 (4)	0.4687 (15)	0.2079 (6)	0.082 (7)	0.5048
C5A	0.4768 (4)	0.2893 (16)	0.2677 (7)	0.071 (6)	0.5048
C12A	0.4638 (4)	0.4887 (17)	0.2863 (7)	0.070 (6)	0.5048
C4A	0.4661 (4)	0.3530 (14)	0.2496 (7)	0.064 (6)	0.5048
C6A	0.4735 (4)	0.1997 (16)	0.2617 (8)	0.079 (7)	0.5048
H6A	0.480513	0.156047	0.273976	0.095*	0.5048
C8A	0.4736 (4)	0.5082 (16)	0.2355 (6)	0.078 (7)	0.5048
C11A	0.4653 (5)	0.5799 (18)	0.2931 (8)	0.082 (8)	0.5048
H11A	0.462428	0.603510	0.312669	0.098*	0.5048
C9A	0.4752 (4)	0.5987 (17)	0.2421 (7)	0.079 (8)	0.5048
H9A	0.479122	0.637062	0.226709	0.095*	0.5048
C14A	0.4848 (7)	0.525 (3)	0.1861 (11)	0.106 (15)	0.5048
H14A	0.481780	0.501930	0.163846	0.159*	0.5048
H14B	0.497358	0.524758	0.192658	0.159*	0.5048
H14C	0.480406	0.585924	0.187023	0.159*	0.5048
C2A	0.4488 (4)	0.2354 (15)	0.2211 (8)	0.075 (7)	0.5048
H2A	0.439138	0.217064	0.205481	0.089*	0.5048
C15A	0.4542 (7)	0.461 (4)	0.3371 (10)	0.114 (16)	0.5048
H15A	0.443397	0.495771	0.332701	0.171*	0.5048
H15B	0.463480	0.499834	0.348046	0.171*	0.5048
H15C	0.452666	0.410582	0.351193	0.171*	0.5048
C7A	0.4678 (4)	0.4507 (16)	0.2579 (6)	0.068 (6)	0.5048
C13A	0.4912 (4)	0.318 (2)	0.2937 (10)	0.086 (9)	0.5048
H13A	0.495899	0.375324	0.287453	0.103*	0.5048
H13B	0.486685	0.327174	0.314210	0.103*	0.5048
C473	0.1849 (5)	0.987 (3)	0.208 (2)	0.094 (9)	0.41 (6)
H473	0.192523	1.032512	0.217101	0.113*	0.41 (6)
C474	0.1660 (4)	1.002 (4)	0.2037 (17)	0.094 (9)	0.41 (6)
H474	0.161147	1.051606	0.213350	0.113*	0.41 (6)
C476	0.1644 (5)	0.865 (4)	0.1718 (18)	0.094 (9)	0.41 (6)
H476	0.157353	0.821440	0.159419	0.113*	0.41 (6)
C477	0.1821 (5)	0.858 (4)	0.1771 (17)	0.094 (9)	0.41 (6)
H477	0.187649	0.813986	0.165893	0.113*	0.41 (6)
C350	0.2594 (4)	0.251 (2)	0.4277 (8)	0.134 (9)
H350	0.263379	0.223566	0.409938	0.161*
C351	0.2719 (4)	0.294 (2)	0.4508 (7)	0.126 (9)
H351	0.283937	0.285574	0.451657	0.151*
C430	0.4011 (14)	−0.231 (5)	0.4642 (11)	0.090 (8)	0.2846
H430	0.399888	−0.203086	0.443439	0.107*	0.2846
C429	0.407 (2)	−0.353 (5)	0.4937 (19)	0.090 (8)	0.2846
H429	0.411213	−0.411296	0.496050	0.107*	0.2846
C431	0.3978 (14)	−0.181 (4)	0.4893 (9)	0.090 (8)	0.2846
H431	0.393465	−0.121657	0.486207	0.107*	0.2846
C428	0.4008 (16)	−0.314 (3)	0.5205 (14)	0.090 (8)	0.2846
H428	0.397173	−0.348151	0.537368	0.107*	0.2846
C427	0.401 (2)	−0.221 (3)	0.5202 (11)	0.090 (8)	0.2846
N411	0.4058 (16)	−0.314 (5)	0.4662 (15)	0.090 (8)	0.2846
C3A	0.4519 (4)	0.3254 (15)	0.2276 (7)	0.063 (6)	0.5048
H3A	0.444179	0.368748	0.216704	0.076*	0.5048
C10A	0.4711 (5)	0.6348 (19)	0.2705 (7)	0.087 (8)	0.5048
H10A	0.472353	0.697195	0.274414	0.104*	0.5048

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I303	0.121 (5)	0.0410 (18)	0.063 (3)	−0.0006 (14)	0.0200 (17)	0.0063 (14)
I416	0.061 (3)	0.055 (4)	0.069 (5)	0.022 (3)	0.033 (3)	0.027 (3)
I415	0.225 (5)	0.0515 (16)	0.0921 (14)	−0.0122 (18)	0.069 (3)	−0.0238 (13)
I306	0.148 (4)	0.072 (2)	0.062 (3)	−0.024 (2)	0.045 (2)	−0.016 (2)
I304	0.092 (3)	0.093 (3)	0.077 (3)	−0.011 (2)	0.018 (2)	0.023 (2)
I309	0.204 (4)	0.0653 (11)	0.1035 (15)	0.0039 (17)	0.047 (2)	0.0093 (10)
I317	0.69 (3)	0.020 (3)	0.042 (3)	0.016 (5)	0.013 (6)	0.000 (2)
I305	0.189 (5)	0.0251 (17)	0.095 (3)	0.0099 (19)	0.047 (3)	0.0114 (14)
I310	0.127 (2)	0.157 (4)	0.0939 (17)	−0.0413 (19)	0.0318 (13)	0.0173 (19)
I312	0.197 (3)	0.111 (2)	0.0844 (15)	−0.044 (2)	0.0505 (18)	−0.0309 (13)
I318	0.333 (13)	0.270 (16)	0.051 (4)	−0.123 (11)	0.015 (5)	0.064 (6)
I302	0.145 (2)	0.0459 (11)	0.137 (2)	−0.0074 (11)	0.0526 (17)	0.0042 (12)
I301	0.136 (2)	0.0591 (12)	0.112 (2)	0.0057 (11)	−0.0084 (15)	−0.0383 (12)
I311	0.257 (4)	0.0762 (16)	0.137 (3)	0.040 (2)	0.103 (3)	0.0349 (16)
Zn48	0.185 (4)	0.0534 (17)	0.053 (2)	0.012 (2)	0.054 (2)	0.0096 (12)
Zn32	0.095 (5)	0.042 (4)	0.061 (6)	−0.008 (3)	0.015 (3)	0.001 (3)
Zn39	0.350 (18)	0.069 (9)	0.019 (5)	−0.040 (9)	0.017 (8)	0.021 (5)
Zn33	0.196 (6)	0.038 (3)	0.043 (4)	−0.023 (3)	0.063 (3)	0.007 (2)
Zn35	0.146 (4)	0.074 (2)	0.0623 (17)	−0.016 (2)	0.0299 (19)	−0.0044 (15)
Zn36	0.187 (5)	0.056 (2)	0.067 (3)	−0.005 (3)	0.053 (3)	0.002 (2)
Zn31	0.125 (3)	0.0361 (18)	0.081 (3)	−0.0023 (18)	0.010 (2)	−0.0089 (18)
N327	0.108 (13)	0.053 (9)	0.040 (7)	−0.005 (9)	0.018 (8)	−0.002 (6)
N303	0.15 (2)	0.049 (10)	0.060 (10)	−0.008 (11)	0.028 (11)	0.004 (8)
N334	0.158 (16)	0.034 (7)	0.032 (7)	−0.010 (8)	0.033 (8)	−0.004 (5)
N322	0.120 (14)	0.058 (9)	0.051 (8)	0.002 (9)	0.030 (8)	−0.005 (7)
N332	0.173 (18)	0.027 (7)	0.050 (8)	−0.002 (8)	0.030 (9)	0.000 (6)
N333	0.150 (15)	0.028 (7)	0.035 (7)	−0.003 (8)	0.028 (8)	−0.009 (5)
N308	0.179 (19)	0.044 (8)	0.035 (7)	−0.001 (9)	0.041 (9)	−0.001 (6)
N312	0.117 (15)	0.049 (8)	0.113 (11)	−0.004 (9)	0.028 (11)	−0.011 (7)
N304	0.144 (17)	0.033 (8)	0.072 (11)	−0.012 (9)	0.029 (10)	−0.002 (7)
N329	0.140 (18)	0.056 (10)	0.074 (12)	−0.005 (11)	0.042 (12)	0.000 (9)
N326	0.112 (15)	0.067 (11)	0.069 (11)	0.015 (10)	0.020 (10)	−0.007 (8)
C379	0.14 (2)	0.022 (7)	0.039 (8)	−0.012 (9)	0.029 (10)	−0.018 (6)
N302	0.149 (19)	0.053 (10)	0.062 (10)	0.015 (11)	0.024 (11)	0.014 (8)
N309	0.166 (19)	0.054 (10)	0.067 (11)	−0.033 (11)	0.047 (11)	−0.025 (8)
N314	0.119 (17)	0.084 (13)	0.074 (12)	0.008 (12)	0.033 (11)	0.001 (10)
N330	0.132 (17)	0.063 (11)	0.057 (10)	−0.006 (11)	0.018 (10)	0.000 (8)
N324	0.105 (14)	0.047 (9)	0.106 (15)	0.011 (9)	0.021 (11)	−0.011 (9)
N321	0.135 (16)	0.055 (9)	0.053 (9)	−0.005 (9)	0.025 (9)	−0.017 (7)
N331	0.190 (17)	0.044 (7)	0.043 (7)	−0.011 (9)	0.015 (9)	−0.001 (6)
N335	0.161 (16)	0.049 (8)	0.081 (9)	−0.003 (10)	0.000 (10)	0.003 (6)
N315	0.134 (18)	0.051 (10)	0.087 (13)	−0.004 (11)	0.035 (12)	0.005 (9)
N318	0.133 (12)	0.073 (10)	0.076 (10)	−0.012 (10)	0.037 (10)	−0.017 (8)
N311	0.18 (2)	0.057 (5)	0.035 (4)	−0.013 (9)	0.034 (8)	−0.010 (4)
N328	0.163 (18)	0.042 (8)	0.058 (9)	−0.013 (9)	0.035 (10)	−0.027 (7)
N325	0.117 (15)	0.061 (11)	0.098 (14)	0.030 (10)	0.024 (11)	0.011 (10)
N313	0.140 (18)	0.064 (11)	0.080 (12)	−0.002 (11)	0.020 (12)	−0.015 (9)
N306	0.143 (19)	0.049 (10)	0.073 (11)	−0.016 (11)	0.021 (12)	−0.015 (8)
N336	0.19 (2)	0.036 (8)	0.057 (9)	−0.009 (10)	0.051 (11)	−0.002 (7)
C397	0.17 (2)	0.074 (13)	0.018 (7)	−0.027 (13)	0.023 (9)	0.010 (7)
N323	0.208 (19)	0.048 (7)	0.065 (8)	−0.013 (10)	0.055 (10)	0.003 (7)
C343	0.14 (2)	0.049 (11)	0.061 (12)	−0.011 (13)	0.022 (13)	−0.010 (9)
C393	0.143 (16)	0.037 (7)	0.044 (7)	−0.009 (8)	0.022 (9)	−0.003 (6)
N320	0.151 (17)	0.038 (8)	0.067 (10)	0.005 (9)	0.029 (10)	−0.020 (7)
C307	0.117 (19)	0.067 (13)	0.049 (10)	−0.020 (12)	0.002 (11)	0.010 (9)
C357	0.141 (19)	0.047 (10)	0.043 (9)	−0.014 (11)	0.027 (10)	−0.009 (7)
N319	0.160 (19)	0.050 (10)	0.064 (10)	−0.016 (10)	0.027 (11)	−0.004 (8)
C380	0.15 (2)	0.029 (9)	0.070 (13)	−0.001 (11)	0.003 (13)	−0.004 (8)
C385	0.14 (2)	0.055 (12)	0.070 (13)	−0.009 (13)	0.013 (13)	−0.013 (10)
C363	0.139 (16)	0.052 (8)	0.051 (8)	−0.011 (9)	0.024 (9)	−0.004 (7)
C388	0.129 (19)	0.038 (9)	0.061 (11)	−0.015 (10)	0.025 (11)	−0.002 (8)
C308	0.14 (2)	0.045 (10)	0.046 (10)	0.004 (11)	0.025 (11)	0.014 (8)
C316	0.15 (2)	0.048 (11)	0.054 (11)	−0.005 (13)	0.013 (13)	0.001 (8)
C352	0.146 (13)	0.063 (11)	0.068 (11)	−0.006 (11)	0.035 (11)	−0.014 (9)
C381	0.118 (18)	0.063 (12)	0.048 (10)	−0.012 (11)	0.023 (10)	−0.027 (9)
N307	0.186 (18)	0.067 (8)	0.065 (9)	−0.033 (10)	0.044 (10)	−0.026 (7)
N316	0.17 (2)	0.099 (15)	0.052 (10)	0.003 (14)	0.052 (12)	−0.003 (10)
C309	0.172 (15)	0.054 (10)	0.061 (11)	−0.016 (10)	0.037 (11)	−0.008 (8)
C310	0.172 (16)	0.073 (12)	0.122 (17)	−0.014 (11)	0.025 (14)	−0.035 (12)
C311	0.186 (15)	0.072 (12)	0.113 (17)	−0.018 (12)	0.027 (13)	−0.041 (12)
N305	0.182 (14)	0.054 (9)	0.052 (8)	−0.022 (9)	0.041 (9)	−0.015 (7)
C312	0.176 (16)	0.050 (9)	0.072 (12)	−0.007 (10)	0.027 (11)	−0.020 (8)
C313	0.176 (15)	0.057 (10)	0.057 (11)	−0.003 (11)	0.026 (11)	−0.017 (8)
C378	0.15 (2)	0.049 (10)	0.038 (9)	−0.005 (11)	0.027 (11)	−0.014 (8)
N310	0.19 (2)	0.060 (11)	0.069 (12)	−0.023 (13)	0.039 (13)	−0.019 (9)
C406	0.17 (2)	0.044 (11)	0.064 (12)	−0.021 (12)	0.045 (13)	−0.023 (9)
C395	0.163 (18)	0.056 (9)	0.056 (8)	−0.006 (10)	0.030 (10)	0.005 (6)
C361	0.143 (19)	0.021 (8)	0.073 (12)	0.000 (9)	0.028 (12)	0.019 (8)
C402	0.150 (17)	0.042 (7)	0.076 (9)	0.000 (10)	0.022 (11)	0.012 (7)
C404	0.115 (17)	0.071 (13)	0.058 (11)	−0.002 (12)	0.036 (11)	−0.003 (9)
C384	0.15 (2)	0.055 (12)	0.055 (11)	−0.013 (12)	0.029 (12)	0.012 (9)
C405	0.20 (3)	0.077 (15)	0.035 (9)	0.017 (15)	0.047 (13)	0.004 (9)
C317	0.14 (2)	0.069 (13)	0.042 (10)	−0.005 (14)	0.006 (11)	−0.009 (9)
C362	0.14 (2)	0.058 (12)	0.050 (10)	−0.003 (12)	0.014 (11)	0.004 (9)
C326	0.15 (2)	0.055 (12)	0.087 (16)	−0.011 (13)	0.029 (15)	−0.008 (11)
C382	0.090 (16)	0.087 (17)	0.12 (2)	−0.021 (13)	0.033 (14)	−0.035 (15)
C344	0.15 (2)	0.094 (17)	0.032 (9)	0.012 (16)	0.032 (11)	−0.004 (9)
C334	0.137 (19)	0.048 (9)	0.067 (9)	0.001 (10)	0.032 (11)	−0.010 (7)
C327	0.18 (2)	0.057 (5)	0.035 (4)	−0.013 (9)	0.034 (8)	−0.010 (4)
C399	0.146 (17)	0.047 (8)	0.053 (8)	−0.008 (10)	0.018 (9)	0.003 (6)
C342	0.14 (2)	0.077 (15)	0.055 (11)	−0.014 (14)	0.038 (12)	−0.012 (10)
C325	0.125 (19)	0.049 (11)	0.081 (15)	−0.019 (11)	0.019 (13)	−0.009 (10)
C329	0.18 (2)	0.057 (5)	0.035 (4)	−0.013 (9)	0.034 (8)	−0.010 (4)
C353	0.145 (14)	0.075 (12)	0.065 (11)	−0.003 (11)	0.032 (10)	−0.019 (9)
C306	0.13 (2)	0.071 (15)	0.074 (14)	−0.019 (15)	0.012 (14)	0.009 (12)
C355	0.16 (3)	0.066 (14)	0.064 (13)	−0.002 (15)	0.013 (14)	−0.006 (11)
C375	0.13 (2)	0.051 (11)	0.069 (13)	−0.005 (12)	0.014 (12)	−0.013 (9)
C339	0.18 (3)	0.089 (18)	0.066 (14)	0.002 (18)	0.037 (16)	−0.041 (13)
C398	0.128 (18)	0.049 (10)	0.050 (10)	−0.010 (10)	0.026 (10)	−0.006 (8)
C328	0.18 (2)	0.057 (5)	0.035 (4)	−0.013 (9)	0.034 (8)	−0.010 (4)
C389	0.17 (3)	0.049 (11)	0.052 (11)	0.003 (13)	0.029 (13)	−0.013 (9)
C321	0.184 (19)	0.049 (8)	0.053 (9)	−0.026 (10)	0.045 (11)	−0.015 (7)
C324	0.18 (2)	0.037 (9)	0.053 (10)	−0.029 (11)	0.046 (12)	−0.010 (8)
C364	0.162 (19)	0.067 (9)	0.071 (10)	0.014 (11)	0.044 (12)	0.008 (8)
C401	0.149 (18)	0.052 (8)	0.077 (9)	0.012 (10)	0.004 (11)	−0.003 (7)
C320	0.20 (2)	0.055 (9)	0.061 (9)	−0.010 (11)	0.037 (11)	−0.013 (7)
C354	0.146 (15)	0.083 (13)	0.084 (12)	−0.007 (11)	0.036 (10)	−0.031 (10)
C368	0.110 (18)	0.050 (12)	0.12 (2)	0.004 (11)	0.025 (15)	−0.004 (12)
C318	0.18 (2)	0.045 (10)	0.047 (10)	0.003 (12)	0.015 (12)	−0.014 (8)
C360	0.127 (19)	0.063 (13)	0.068 (13)	−0.008 (12)	0.036 (12)	0.005 (10)
C396	0.15 (2)	0.067 (12)	0.033 (8)	−0.011 (12)	0.037 (10)	−0.002 (8)
C403	0.173 (19)	0.041 (7)	0.061 (8)	−0.001 (10)	0.027 (11)	0.011 (7)
C356	0.17 (3)	0.085 (17)	0.070 (15)	0.020 (17)	0.032 (16)	−0.008 (13)
C390	0.18 (3)	0.078 (17)	0.094 (18)	−0.030 (18)	0.052 (18)	−0.030 (14)
C370	0.14 (2)	0.059 (13)	0.093 (17)	0.006 (13)	−0.003 (15)	−0.010 (12)
C358	0.19 (3)	0.058 (12)	0.039 (10)	0.003 (14)	0.026 (12)	−0.004 (8)
C407	0.29 (4)	0.043 (11)	0.043 (10)	−0.026 (15)	0.073 (16)	−0.006 (8)
C323	0.22 (2)	0.068 (8)	0.046 (8)	−0.037 (11)	0.043 (11)	−0.043 (7)
C359	0.20 (3)	0.053 (12)	0.060 (12)	−0.011 (15)	0.034 (15)	−0.016 (10)
C400	0.172 (19)	0.052 (8)	0.061 (8)	0.013 (10)	0.029 (11)	0.002 (7)
C336	0.23 (3)	0.044 (9)	0.098 (12)	−0.004 (13)	0.041 (17)	0.001 (8)
C372	0.28 (5)	0.047 (13)	0.094 (19)	−0.015 (19)	0.06 (2)	−0.008 (12)
C394	0.162 (18)	0.047 (8)	0.055 (8)	−0.001 (9)	0.026 (10)	−0.001 (7)
C335	0.18 (2)	0.052 (9)	0.074 (10)	−0.001 (12)	0.046 (13)	−0.001 (8)
C314	0.17 (3)	0.049 (13)	0.12 (2)	−0.012 (15)	0.05 (2)	−0.047 (14)
C337	0.09 (2)	0.16 (3)	0.15 (3)	0.00 (2)	−0.007 (19)	−0.09 (3)
C319	0.20 (2)	0.065 (10)	0.068 (10)	0.001 (13)	0.047 (12)	−0.006 (7)
C383	0.16 (3)	0.083 (17)	0.078 (15)	−0.021 (17)	0.042 (16)	−0.052 (13)
C366	0.24 (2)	0.059 (9)	0.066 (10)	0.011 (12)	0.060 (14)	0.011 (8)
C374	0.108 (10)	0.079 (18)	0.091 (16)	0.006 (11)	0.006 (10)	−0.019 (14)
C315	0.12 (2)	0.074 (15)	0.11 (2)	0.004 (13)	0.033 (15)	−0.034 (14)
C408	0.26 (4)	0.066 (15)	0.062 (13)	−0.028 (19)	0.076 (19)	−0.019 (11)
C322	0.20 (2)	0.059 (10)	0.075 (10)	−0.019 (12)	0.056 (12)	−0.023 (7)
C331	0.18 (2)	0.057 (5)	0.035 (4)	−0.013 (9)	0.034 (8)	−0.010 (4)
C392	0.21 (2)	0.051 (9)	0.046 (8)	0.003 (11)	0.040 (10)	0.001 (6)
C340	0.13 (3)	0.11 (2)	0.16 (3)	0.022 (19)	0.00 (2)	−0.09 (2)
C333	0.27 (4)	0.044 (9)	0.089 (12)	0.002 (14)	0.074 (18)	−0.020 (8)
C367	0.20 (2)	0.057 (10)	0.064 (10)	−0.007 (12)	0.048 (12)	0.002 (7)
C376	0.108 (10)	0.079 (18)	0.091 (16)	0.006 (11)	0.006 (10)	−0.019 (14)
C332	0.13 (2)	0.050 (8)	0.109 (11)	−0.011 (11)	0.037 (13)	−0.019 (9)
C391	0.23 (2)	0.044 (8)	0.050 (8)	−0.005 (11)	0.044 (11)	0.004 (7)
C369	0.18 (3)	0.050 (12)	0.088 (16)	0.009 (14)	0.041 (17)	−0.009 (11)
C373	0.108 (10)	0.079 (18)	0.091 (16)	0.006 (11)	0.006 (10)	−0.019 (14)
C371	0.20 (3)	0.049 (12)	0.11 (2)	0.022 (15)	0.07 (2)	0.007 (12)
C338	0.20 (4)	0.18 (4)	0.12 (3)	−0.04 (3)	0.06 (3)	−0.11 (3)
C377	0.108 (10)	0.079 (18)	0.091 (16)	0.006 (11)	0.006 (10)	−0.019 (14)
C341	0.14 (3)	0.18 (4)	0.16 (3)	0.06 (3)	−0.02 (2)	−0.11 (3)
C330	0.18 (2)	0.057 (5)	0.035 (4)	−0.013 (9)	0.034 (8)	−0.010 (4)
C387	0.14 (3)	0.12 (3)	0.18 (3)	−0.01 (2)	0.04 (2)	−0.11 (3)
C386	0.16 (3)	0.11 (2)	0.13 (3)	0.01 (2)	0.02 (2)	−0.08 (2)
I316	0.254 (6)	0.104 (3)	0.115 (3)	0.052 (3)	0.090 (3)	0.052 (3)
Zn38	0.185 (4)	0.0534 (17)	0.053 (2)	0.012 (2)	0.054 (2)	0.0096 (12)
I315	0.225 (5)	0.0515 (16)	0.0921 (14)	−0.0122 (18)	0.069 (3)	−0.0238 (13)
C345	0.153 (17)	0.093 (16)	0.074 (13)	−0.010 (12)	0.047 (12)	−0.006 (10)
I409	0.204 (4)	0.0653 (11)	0.1035 (15)	0.0039 (17)	0.047 (2)	0.0093 (10)
Zn45	0.146 (4)	0.074 (2)	0.0623 (17)	−0.016 (2)	0.0299 (19)	−0.0044 (15)
I410	0.36 (4)	0.108 (17)	0.19 (2)	−0.092 (19)	0.09 (2)	−0.003 (15)
I406	0.347 (14)	0.129 (5)	0.069 (3)	−0.087 (7)	0.090 (6)	−0.050 (3)
Zn43	0.196 (6)	0.038 (3)	0.043 (4)	−0.023 (3)	0.063 (3)	0.007 (2)
I405	0.369 (17)	0.080 (6)	0.217 (11)	0.020 (8)	0.145 (11)	0.038 (6)
I402	0.231 (11)	0.092 (6)	0.158 (9)	−0.008 (6)	0.050 (8)	0.046 (6)
Zn41	0.220 (19)	0.037 (6)	0.113 (12)	−0.021 (8)	0.022 (12)	0.012 (7)
I401	0.233 (11)	0.089 (5)	0.123 (8)	0.013 (6)	0.020 (7)	−0.025 (5)
I314	0.158 (2)	0.0743 (14)	0.124 (2)	0.0063 (13)	0.0572 (17)	0.0194 (13)
Zn37	0.111 (3)	0.0512 (19)	0.095 (3)	0.0035 (17)	0.028 (2)	0.0031 (17)
I313	0.1072 (16)	0.0586 (11)	0.142 (2)	−0.0004 (9)	0.0173 (13)	−0.0191 (11)
N301	0.15 (2)	0.042 (10)	0.116 (17)	−0.022 (11)	−0.014 (14)	0.013 (10)
C305	0.19 (4)	0.07 (2)	0.25 (5)	0.01 (2)	0.07 (4)	−0.03 (3)
C304	0.12 (3)	0.17 (4)	0.15 (3)	0.01 (3)	0.00 (2)	−0.01 (3)
C303	0.13 (2)	0.058 (13)	0.095 (17)	0.003 (13)	0.031 (15)	0.013 (12)
C302	0.12 (2)	0.075 (18)	0.23 (4)	−0.001 (17)	−0.05 (3)	−0.05 (2)
C301	0.18 (4)	0.13 (3)	0.15 (3)	0.02 (3)	0.03 (3)	−0.04 (3)
C349	0.172 (17)	0.079 (12)	0.043 (10)	0.010 (13)	0.039 (11)	0.001 (8)
C346	0.152 (19)	0.12 (2)	0.14 (2)	−0.002 (14)	0.048 (15)	−0.061 (18)
I404	0.258 (12)	0.181 (11)	0.123 (7)	−0.080 (8)	0.047 (7)	0.002 (6)
Zn42	0.30 (2)	0.067 (7)	0.061 (7)	−0.014 (8)	0.054 (9)	−0.024 (5)
I403	0.482 (18)	0.057 (3)	0.067 (4)	0.025 (6)	0.053 (7)	0.005 (2)
I308	0.144 (8)	0.108 (7)	0.363 (17)	0.004 (6)	0.087 (9)	0.022 (8)
Zn34	0.139 (3)	0.0491 (18)	0.122 (3)	−0.002 (2)	0.028 (3)	−0.0135 (19)
I307	0.105 (5)	0.075 (5)	0.392 (17)	0.003 (4)	0.002 (8)	−0.064 (7)
N317	0.170 (18)	0.070 (12)	0.099 (14)	−0.009 (11)	0.060 (13)	0.000 (9)
C347	0.177 (19)	0.12 (2)	0.14 (2)	0.017 (17)	0.054 (16)	−0.040 (17)
Zn46	0.26 (3)	0.054 (9)	0.061 (11)	−0.031 (14)	0.093 (14)	−0.006 (9)
I412	0.37 (3)	0.133 (12)	0.087 (8)	−0.164 (17)	0.090 (12)	−0.050 (8)
I411	0.29 (2)	0.077 (8)	0.29 (3)	0.077 (11)	0.21 (2)	0.107 (13)
I408	0.150 (5)	0.0403 (14)	0.0751 (18)	0.0056 (17)	0.036 (2)	0.0059 (12)
Zn44	0.139 (3)	0.0491 (18)	0.122 (3)	−0.002 (2)	0.028 (3)	−0.0135 (19)
I407	0.108 (3)	0.045 (2)	0.0737 (17)	−0.0048 (18)	0.0204 (18)	−0.0113 (13)
C365	0.170 (19)	0.064 (10)	0.064 (10)	0.008 (11)	0.049 (11)	0.009 (7)
C348	0.20 (2)	0.072 (14)	0.099 (16)	0.003 (13)	0.057 (14)	−0.014 (11)
I417	0.204 (6)	0.070 (4)	0.084 (4)	0.011 (3)	0.039 (3)	0.019 (3)
Zn49	0.109 (5)	0.052 (6)	0.063 (7)	−0.025 (4)	0.010 (4)	−0.005 (4)
I418	0.091 (3)	0.156 (7)	0.114 (5)	−0.038 (3)	0.013 (3)	0.026 (4)
O3A	0.080 (15)	0.065 (12)	0.077 (13)	0.012 (11)	0.019 (11)	−0.012 (10)
C1A	0.15 (2)	0.038 (12)	0.074 (17)	−0.002 (12)	0.050 (14)	0.005 (11)
O1A	0.113 (16)	0.051 (13)	0.082 (16)	0.019 (12)	0.049 (12)	0.033 (12)
O2A	0.13 (2)	0.042 (11)	0.076 (12)	−0.031 (12)	0.024 (12)	0.013 (9)
C5A	0.107 (15)	0.038 (9)	0.076 (15)	0.007 (10)	0.046 (10)	0.013 (9)
C12A	0.077 (17)	0.058 (11)	0.073 (12)	0.004 (12)	0.007 (11)	−0.015 (9)
C4A	0.097 (14)	0.035 (8)	0.068 (13)	0.000 (8)	0.038 (10)	0.003 (8)
C6A	0.13 (2)	0.039 (10)	0.078 (17)	0.007 (11)	0.051 (13)	0.007 (11)
C8A	0.106 (19)	0.046 (10)	0.080 (13)	−0.012 (12)	0.014 (13)	0.007 (9)
C11A	0.10 (2)	0.060 (11)	0.083 (17)	0.001 (13)	−0.006 (15)	−0.022 (11)
C9A	0.09 (2)	0.048 (10)	0.090 (17)	−0.008 (13)	−0.006 (15)	0.007 (11)
C14A	0.15 (4)	0.06 (2)	0.13 (3)	−0.01 (2)	0.06 (3)	0.04 (2)
C2A	0.125 (19)	0.033 (10)	0.077 (17)	−0.014 (11)	0.047 (13)	0.005 (10)
C15A	0.11 (3)	0.14 (4)	0.11 (2)	0.01 (3)	0.06 (2)	−0.03 (2)
C7A	0.097 (17)	0.038 (8)	0.070 (12)	−0.002 (10)	0.017 (11)	−0.002 (8)
C13A	0.118 (18)	0.045 (15)	0.10 (2)	0.020 (12)	0.025 (13)	0.006 (14)
C473	0.108 (10)	0.079 (18)	0.091 (16)	0.006 (11)	0.006 (10)	−0.019 (14)
C474	0.108 (10)	0.079 (18)	0.091 (16)	0.006 (11)	0.006 (10)	−0.019 (14)
C476	0.108 (10)	0.079 (18)	0.091 (16)	0.006 (11)	0.006 (10)	−0.019 (14)
C477	0.108 (10)	0.079 (18)	0.091 (16)	0.006 (11)	0.006 (10)	−0.019 (14)
C350	0.134 (13)	0.15 (2)	0.121 (16)	−0.029 (13)	0.036 (12)	−0.078 (15)
C351	0.140 (14)	0.131 (18)	0.116 (16)	−0.030 (13)	0.043 (12)	−0.077 (14)
C430	0.18 (2)	0.057 (5)	0.035 (4)	−0.013 (9)	0.034 (8)	−0.010 (4)
C429	0.18 (2)	0.057 (5)	0.035 (4)	−0.013 (9)	0.034 (8)	−0.010 (4)
C431	0.18 (2)	0.057 (5)	0.035 (4)	−0.013 (9)	0.034 (8)	−0.010 (4)
C428	0.18 (2)	0.057 (5)	0.035 (4)	−0.013 (9)	0.034 (8)	−0.010 (4)
C427	0.18 (2)	0.057 (5)	0.035 (4)	−0.013 (9)	0.034 (8)	−0.010 (4)
N411	0.18 (2)	0.057 (5)	0.035 (4)	−0.013 (9)	0.034 (8)	−0.010 (4)
C3A	0.103 (16)	0.035 (10)	0.061 (14)	−0.007 (10)	0.043 (10)	−0.003 (10)
C10A	0.10 (2)	0.058 (13)	0.095 (17)	−0.010 (15)	−0.015 (15)	−0.013 (11)

Geometric parameters (Å, º)

I303—Zn32	2.532 (9)	C329—H329	0.9500
I416—Zn48	2.480 (17)	C329—C328	1.39 (3)
I415—Zn48	2.531 (17)	C353—H353	0.9500
I306—Zn33	2.475 (10)	C353—C354	1.38 (4)
I304—Zn32	2.532 (8)	C306—C303	1.54 (3)
I309—Zn35	2.532 (5)	C355—H355	0.9500
I413—Zn47	2.511 (15)	C355—C356	1.35 (3)
I317—Zn39	2.538 (11)	C375—C374	1.32 (3)
I305—Zn33	2.552 (10)	C375—C376	1.46 (4)
I310—Zn35	2.538 (6)	C375—C474	1.32 (4)
I414—Zn47	2.555 (17)	C375—C476	1.46 (4)
I312—Zn36	2.507 (7)	C339—C340	1.54 (4)
I318—Zn39	2.530 (13)	C339—C338	1.37 (4)
I302—Zn31	2.530 (6)	C328—H328	0.9500
I301—Zn31	2.528 (5)	C389—H389	0.9500
I311—Zn36	2.522 (7)	C389—C390	1.41 (4)
Zn48—N329	2.08 (3)	C321—C324	1.45 (3)
Zn48—N336^i	2.10 (5)	C321—C320	1.47 (3)
Zn32—N306	2.07 (2)	C321—C322	1.39 (3)
Zn32—N307	2.10 (2)	C364—H364	0.9500
Zn39—N330	2.08 (2)	C364—C365	1.40 (3)
Zn39—N331	2.078 (18)	C401—H401	0.9500
Zn33—N305^ii	2.25 (12)	C401—C400	1.35 (3)
Zn33—N411	2.03 (4)	C320—H320	0.9500
Zn35—N318	2.07 (2)	C320—C319	1.26 (3)
Zn35—N319	2.053 (18)	C354—H354	0.9500
Zn36—N323	2.164 (18)	C368—H368	0.9500
Zn36—N317^iii	2.08 (2)	C368—C369	1.41 (3)
Zn47—N324	2.10 (2)	C318—H318	0.9500
Zn47—N325	2.09 (2)	C403—H403	0.9500
Zn31—N335^iv	2.111 (19)	C356—H356	0.9500
Zn31—N301	2.012 (16)	C390—H390	0.9500
N327—C379	1.29 (3)	C370—C369	1.44 (3)
N327—C378	1.33 (3)	C370—C371	1.45 (4)
N303—C307	1.33 (3)	C358—H358	0.9500
N303—C306	1.30 (3)	C358—C359	1.37 (3)
N334—C397	1.29 (2)	C407—H407	0.9500
N334—C398	1.40 (2)	C407—C408	1.35 (3)
N322—C361	1.34 (2)	C323—H323	0.9500
N322—C362	1.33 (3)	C323—C322	1.38 (3)
N332—C398	1.26 (2)	C359—H359	0.9500
N332—C396	1.40 (2)	C400—H400	0.9500
N333—C397	1.38 (2)	C336—H336	0.9500
N333—C396	1.32 (3)	C336—C335	1.45 (3)
N308—C326	1.35 (3)	C372—H372	0.9500
N308—C324	1.31 (3)	C372—C371	1.39 (3)
N312—C336	1.33 (3)	C394—H394	0.9500
N312—C332	1.36 (3)	C335—H335	0.9500
N312—Zn34	2.10 (2)	C314—H314	0.9500
N312—Zn44	2.12 (2)	C314—C315	1.40 (4)
N312—Zn54	1.94 (6)	C337—H337	0.9500
N304—C307	1.37 (3)	C337—C338	1.38 (5)
N304—C308	1.35 (3)	C319—H319	0.9500
N329—C384	1.32 (3)	C383—H383	0.9500
N329—C383	1.33 (3)	C366—H366	0.9500
N329—Zn38	2.08 (2)	C366—C367	1.44 (3)
N326—C380	1.31 (3)	C374—H374	0.9500
N326—C378	1.33 (3)	C374—C373	1.48 (4)
C379—N328	1.41 (3)	C315—H315	0.9500
C379—C381	1.47 (3)	C408—H408	0.9500
N302—C308	1.35 (3)	C322—H322	0.9500
N302—C306	1.30 (3)	C331—H331	0.9500
N309—C325	1.31 (3)	C331—C330	1.35 (3)
N309—C324	1.33 (2)	C392—H392	0.9500
N314—C344	1.32 (3)	C392—C391	1.40 (3)
N314—C342	1.31 (3)	C340—H340	0.9500
N330—C390	1.31 (3)	C340—C341	1.32 (4)
N330—C386	1.30 (4)	C333—H333	0.9500
N330—Zn49	2.10 (2)	C333—C332	1.43 (3)
N330—Zn59	1.98 (11)	C367—H367	0.9500
N324—C368	1.36 (3)	C376—H376	0.9500
N324—C372	1.36 (3)	C376—C377	1.38 (4)
N324—Zn37	2.117 (18)	C332—H332	0.9500
N321—C361	1.30 (2)	C391—H391	0.9500
N321—C360	1.33 (3)	C369—H369	0.9500
N331—C395	1.29 (3)	C373—H373	0.9500
N331—C391	1.33 (3)	C371—H371	0.9500
N331—Zn49	2.082 (17)	C338—H338	0.9500
N331—Zn59	2.14 (11)	C377—H377	0.9500
N335—C402	1.25 (3)	C341—H341	0.9500
N335—C401	1.32 (3)	C330—H330	0.9500
N335—Zn41^v	2.13 (2)	C387—H387	0.9500
N315—C343	1.25 (3)	C387—C386	1.41 (4)
N315—C342	1.34 (3)	C386—H386	0.9500
N318—C354	1.34 (3)	I316—Zn38	2.480 (7)
N318—Zn45	2.07 (3)	Zn38—I315	2.537 (6)
N318—C350	1.26 (4)	C345—C349	1.40 (4)
N311—C329	1.27 (3)	C345—C346	1.42 (4)
N311—C330	1.30 (3)	I409—Zn45	2.529 (17)
N311—Zn43	2.19 (2)	Zn45—I410	2.529 (17)
N328—C380	1.36 (3)	I406—Zn43	2.468 (12)
N325—C373	1.30 (3)	Zn43—I405	2.544 (12)
N325—C377	1.34 (3)	I402—Zn41	2.518 (16)
N325—Zn37	2.10 (2)	Zn41—I401	2.515 (14)
N325—C473	1.30 (4)	Zn41—N301	2.41 (3)
N325—C477	1.34 (4)	I314—Zn37	2.534 (5)
N313—C337	1.32 (4)	Zn37—I313	2.546 (5)
N313—C341	1.32 (4)	N301—C305	1.3900
N313—Zn34	2.05 (3)	N301—C301	1.3900
N313—Zn44	2.07 (3)	C305—H305	0.9500
N313—Zn54	2.13 (15)	C305—C304	1.3900
N306—C318	1.28 (3)	C304—H304	0.9500
N306—C314	1.30 (3)	C304—C303	1.3900
N306—Zn42	2.08 (2)	C303—C302	1.3900
N336—C404	1.36 (3)	C302—H302	0.9500
N336—C408	1.30 (3)	C302—C301	1.3900
N336—Zn38^vi	2.104 (19)	C301—H301	0.9500
C397—C399	1.50 (3)	C349—H349	0.9500
N323—C366	1.23 (3)	C349—C348	1.39 (3)
N323—Zn46	2.14 (2)	C346—H346	0.9500
N323—C365	1.32 (3)	C346—C347	1.47 (4)
C343—N316	1.41 (3)	I404—Zn42	2.524 (13)
C343—C345	1.50 (4)	Zn42—I403	2.521 (12)
C393—C396	1.48 (2)	I308—Zn34	2.506 (13)
C393—C394	1.38 (3)	Zn34—I307	2.552 (12)
C393—C392	1.32 (3)	N317—C347	1.37 (4)
N320—C362	1.38 (3)	N317—Zn46^viii	2.22 (3)
N320—C360	1.36 (3)	N317—C348	1.34 (4)
C307—C309	1.45 (3)	C347—H347	0.9500
C357—C360	1.48 (3)	Zn46—I412	2.524 (18)
C357—C356	1.43 (3)	Zn46—I411	2.515 (18)
C357—C358	1.33 (3)	I408—Zn44	2.522 (10)
N319—C355	1.33 (3)	Zn44—I407	2.569 (10)
N319—C359	1.36 (3)	I508—Zn54	2.516 (18)
N319—Zn45	2.06 (2)	I507—Zn54	2.558 (19)
C380—C388	1.48 (3)	C365—H365	0.9500
C385—H385	0.9500	C348—H348	0.9500
C385—C381	1.40 (3)	I417—Zn49	2.541 (8)
C385—C384	1.34 (3)	Zn49—I418	2.535 (7)
C363—C361	1.42 (3)	I517—Zn59	2.540 (18)
C363—C364	1.40 (3)	Zn59—I518	2.530 (19)
C363—C367	1.44 (3)	O3A—C12A	1.36 (3)
C388—C389	1.36 (3)	O3A—C15A	1.433 (19)
C388—C387	1.34 (3)	C1A—H1A	0.9500
C308—C316	1.49 (3)	C1A—C6A	1.393 (18)
C316—C317	1.32 (3)	C1A—C2A	1.385 (18)
C316—C315	1.39 (3)	O1A—H1AA	0.8400
C352—C344	1.45 (4)	O1A—C13A	1.425 (19)
C352—C353	1.35 (4)	O2A—C8A	1.37 (3)
C352—C351	1.43 (3)	O2A—C14A	1.441 (18)
C381—C382	1.43 (3)	C5A—C4A	1.402 (18)
N307—C323	1.33 (3)	C5A—C6A	1.380 (18)
N307—C319	1.37 (3)	C5A—C13A	1.49 (3)
N307—Zn42	2.05 (2)	C12A—C11A	1.39 (2)
N316—C344	1.32 (3)	C12A—C7A	1.398 (19)
C309—C310	1.3900	C4A—C7A	1.50 (3)
C309—C313	1.3900	C4A—C3A	1.385 (18)
C310—H310	0.9500	C6A—H6A	0.9500
C310—C311	1.3900	C8A—C9A	1.38 (2)
C311—H311	0.9500	C8A—C7A	1.397 (19)
C311—N305	1.3900	C11A—H11A	0.9500
N305—C312	1.3900	C11A—C10A	1.39 (2)
N305—Zn43^vii	1.853 (16)	C9A—H9A	0.9500
C312—H312	0.9500	C9A—C10A	1.39 (2)
C312—C313	1.3900	C14A—H14A	0.9800
C313—H313	0.9500	C14A—H14B	0.9800
C378—C375	1.51 (3)	C14A—H14C	0.9800
N310—C326	1.31 (3)	C2A—H2A	0.9500
N310—C325	1.35 (3)	C2A—C3A	1.388 (18)
C406—C405	1.32 (3)	C15A—H15A	0.9800
C406—C398	1.43 (3)	C15A—H15B	0.9800
C406—C407	1.38 (3)	C15A—H15C	0.9800
C395—H395	0.9500	C13A—H13A	0.9900
C395—C394	1.37 (3)	C13A—H13B	0.9900
C402—H402	0.9500	C473—H473	0.9500
C402—C403	1.43 (3)	C473—C474	1.48 (4)
C402—Zn41^v	2.59 (2)	C474—H474	0.9500
C404—H404	0.9500	C476—H476	0.9500
C404—C405	1.38 (3)	C476—C477	1.38 (4)
C384—H384	0.9500	C477—H477	0.9500
C405—H405	0.9500	C350—H350	0.9500
C317—H317	0.9500	C350—C351	1.41 (4)
C317—C318	1.42 (3)	C351—H351	0.9500
C362—C370	1.44 (3)	C430—H430	0.9500
C326—C334	1.48 (3)	C430—C431	1.35 (3)
C382—H382	0.9500	C430—N411	1.30 (3)
C382—C383	1.40 (3)	C429—H429	0.9500
C334—C335	1.35 (3)	C429—C428	1.40 (3)
C334—C333	1.41 (3)	C429—N411	1.28 (3)
C327—C325	1.48 (3)	C431—H431	0.9500
C327—C328	1.39 (3)	C431—C427	1.41 (4)
C327—C331	1.40 (3)	C428—H428	0.9500
C399—C403	1.41 (3)	C428—C427	1.40 (4)
C399—C400	1.35 (3)	C3A—H3A	0.9500
C342—C339	1.49 (4)	C10A—H10A	0.9500
C325—C427	1.48 (3)
I416—Zn48—I415	118.1 (13)	C399—C403—C402	118 (2)
N329—Zn48—I416	109.7 (12)	C399—C403—H403	121.2
N329—Zn48—I415	112.0 (12)	C357—C356—H356	120.0
N329—Zn48—N336^i	99.3 (14)	C355—C356—C357	120 (2)
N336^i—Zn48—I416	111.8 (14)	C355—C356—H356	120.0
N336^i—Zn48—I415	104.2 (12)	N330—C390—C389	117 (3)
I304—Zn32—I303	124.7 (3)	N330—C390—H390	121.5
N306—Zn32—I303	108.6 (8)	C389—C390—H390	121.5
N306—Zn32—I304	104.8 (8)	C362—C370—C369	127 (2)
N306—Zn32—N307	100.3 (8)	C362—C370—C371	118 (2)
N307—Zn32—I303	109.6 (7)	C369—C370—C371	115 (2)
N307—Zn32—I304	106.1 (8)	C357—C358—H358	119.8
I318—Zn39—I317	124.0 (6)	C357—C358—C359	120 (2)
N330—Zn39—I317	106.2 (8)	C359—C358—H358	119.8
N330—Zn39—I318	109.7 (8)	C406—C407—H407	118.7
N330—Zn39—N331	101.8 (8)	C408—C407—C406	123 (2)
N331—Zn39—I317	104.9 (7)	C408—C407—H407	118.7
N331—Zn39—I318	108.0 (8)	N307—C323—H323	118.6
I306—Zn33—I305	128.3 (6)	N307—C323—C322	122.8 (18)
N305^ii—Zn33—I306	109 (5)	C322—C323—H323	118.6
N305^ii—Zn33—I305	101 (5)	N319—C359—C358	123 (2)
N411—Zn33—I306	98 (4)	N319—C359—H359	118.5
N411—Zn33—I305	118 (3)	C358—C359—H359	118.5
N411—Zn33—N305^ii	98 (5)	C399—C400—C401	121 (2)
I309—Zn35—I310	124.8 (2)	C399—C400—H400	119.7
N318—Zn35—I309	105.7 (7)	C401—C400—H400	119.7
N318—Zn35—I310	107.9 (6)	N312—C336—H336	121.1
N319—Zn35—I309	108.1 (6)	N312—C336—C335	118 (3)
N319—Zn35—I310	106.7 (7)	C335—C336—H336	121.1
N319—Zn35—N318	101.2 (8)	N324—C372—H372	120.4
I312—Zn36—I311	127.7 (2)	N324—C372—C371	119 (3)
N323—Zn36—I312	105.0 (7)	C371—C372—H372	120.4
N323—Zn36—I311	108.0 (6)	C393—C394—H394	121.7
N317^iii—Zn36—I312	110.7 (8)	C395—C394—C393	117 (2)
N317^iii—Zn36—I311	104.6 (8)	C395—C394—H394	121.7
N317^iii—Zn36—N323	96.5 (8)	C334—C335—C336	122 (2)
I413—Zn47—I414	123.2 (8)	C334—C335—H335	119.2
N324—Zn47—I413	121.0 (10)	C336—C335—H335	119.2
N324—Zn47—I414	94.2 (8)	N306—C314—H314	116.6
N325—Zn47—I413	116.8 (10)	N306—C314—C315	127 (2)
N325—Zn47—I414	94.9 (8)	C315—C314—H314	116.6
N325—Zn47—N324	101.2 (10)	N313—C337—H337	118.5
I301—Zn31—I302	119.77 (19)	N313—C337—C338	123 (3)
N335^iv—Zn31—I302	105.4 (7)	C338—C337—H337	118.5
N335^iv—Zn31—I301	110.5 (6)	N307—C319—H319	118.2
N301—Zn31—I302	106.8 (6)	C320—C319—N307	124 (2)
N301—Zn31—I301	107.9 (7)	C320—C319—H319	118.2
N301—Zn31—N335^iv	105.6 (8)	N329—C383—C382	124 (2)
C379—N327—C378	117.5 (18)	N329—C383—H383	118.1
C306—N303—C307	117 (2)	C382—C383—H383	118.1
C397—N334—C398	113.7 (15)	N323—C366—H366	119.5
C362—N322—C361	114.1 (17)	N323—C366—C367	121 (2)
C398—N332—C396	117.8 (17)	C367—C366—H366	119.5
C396—N333—C397	114.3 (15)	C375—C374—H374	122.9
C324—N308—C326	113.6 (16)	C375—C374—C373	114 (3)
C336—N312—C332	122 (2)	C373—C374—H374	122.9
C336—N312—Zn34	118.8 (19)	C316—C315—C314	114 (3)
C336—N312—Zn44	115.6 (18)	C316—C315—H315	123.1
C336—N312—Zn54	110 (2)	C314—C315—H315	123.1
C332—N312—Zn34	118.7 (15)	N336—C408—C407	122 (2)
C332—N312—Zn44	121.9 (15)	N336—C408—H408	119.1
C332—N312—Zn54	127.7 (18)	C407—C408—H408	119.1
C308—N304—C307	114 (2)	C321—C322—H322	119.4
C384—N329—Zn48	120 (2)	C323—C322—C321	121 (2)
C384—N329—C383	119 (2)	C323—C322—H322	119.4
C384—N329—Zn38	126 (2)	C327—C331—H331	120.7
C383—N329—Zn48	120.4 (16)	C330—C331—C327	119 (2)
C383—N329—Zn38	114.6 (15)	C330—C331—H331	120.7
C380—N326—C378	116.4 (19)	C393—C392—H392	121.4
N327—C379—N328	126.7 (16)	C393—C392—C391	117 (2)
N327—C379—C381	121.8 (17)	C391—C392—H392	121.4
N328—C379—C381	112 (2)	C339—C340—H340	118.8
C306—N302—C308	116 (2)	C341—C340—C339	122 (3)
C325—N309—C324	116 (2)	C341—C340—H340	118.8
C342—N314—C344	115 (2)	C334—C333—H333	120.2
C390—N330—Zn39	118 (2)	C334—C333—C332	120 (2)
C390—N330—Zn49	119 (2)	C332—C333—H333	120.1
C390—N330—Zn59	136 (3)	C363—C367—C366	117 (2)
C386—N330—Zn39	119.4 (17)	C363—C367—H367	121.6
C386—N330—C390	122 (2)	C366—C367—H367	121.6
C386—N330—Zn49	118.8 (17)	C375—C376—H376	120.5
C386—N330—Zn59	102 (2)	C377—C376—C375	119 (3)
C368—N324—Zn47	101.7 (15)	C377—C376—H376	120.5
C368—N324—Zn37	122.3 (15)	N312—C332—C333	119 (2)
C372—N324—Zn47	136.0 (19)	N312—C332—H332	120.3
C372—N324—C368	122 (2)	C333—C332—H332	120.3
C372—N324—Zn37	115.9 (17)	N331—C391—C392	123 (2)
C361—N321—C360	118.3 (19)	N331—C391—H391	118.3
C395—N331—Zn39	126.2 (15)	C392—C391—H391	118.3
C395—N331—C391	116.4 (18)	C368—C369—C370	119 (3)
C395—N331—Zn49	125.1 (15)	C368—C369—H369	120.3
C395—N331—Zn59	114 (3)	C370—C369—H369	120.3
C391—N331—Zn39	117.1 (15)	N325—C373—C374	122 (3)
Zn31^v—N335—Zn41^v	27.2 (4)	N325—C373—H373	119.1
C402—N335—Zn31^v	121.7 (16)	C374—C373—H373	119.1
C402—N335—C401	119 (2)	C370—C371—H371	118.7
C402—N335—Zn41^v	96.6 (15)	C372—C371—C370	123 (2)
C401—N335—Zn31^v	118.9 (16)	C372—C371—H371	118.7
C401—N335—Zn41^v	144.2 (17)	C339—C338—C337	122 (3)
C343—N315—C342	114 (2)	C339—C338—H338	119.0
C354—N318—Zn35	125 (2)	C337—C338—H338	119.0
C354—N318—Zn45	115 (2)	N325—C377—C376	118 (3)
C350—N318—C354	117 (2)	N325—C377—H377	120.9
C350—N318—Zn45	127.2 (18)	C376—C377—H377	120.9
C329—N311—C330	118 (2)	N313—C341—C340	120 (3)
C329—N311—Zn43	127 (2)	N313—C341—H341	119.8
C330—N311—Zn43	114.3 (18)	C340—C341—H341	119.8
C380—N328—C379	108 (2)	N311—C330—C331	124 (2)
C373—N325—Zn47	106 (2)	N311—C330—H330	118.2
C373—N325—C377	123 (3)	C331—C330—H330	118.2
C377—N325—Zn47	130 (2)	C388—C387—H387	119.8
C473—N325—Zn37	121 (2)	C388—C387—C386	120 (3)
C473—N325—C477	122 (3)	C386—C387—H387	119.8
C477—N325—Zn37	114 (2)	N330—C386—C387	121 (3)
C337—N313—C341	121 (3)	N330—C386—H386	119.7
C337—N313—Zn34	119.2 (19)	C387—C386—H386	119.7
C337—N313—Zn44	121.7 (19)	N329—Zn38—N336^i	99.0 (7)
C337—N313—Zn54	129 (2)	N329—Zn38—I316	108.2 (7)
C341—N313—Zn34	120 (2)	N329—Zn38—I315	107.8 (7)
C341—N313—Zn44	117 (2)	N336^i—Zn38—I316	104.4 (7)
C341—N313—Zn54	110 (2)	N336^i—Zn38—I315	108.1 (7)
C318—N306—Zn32	126 (2)	I316—Zn38—I315	126.1 (4)
C318—N306—C314	118 (2)	C349—C345—C343	125 (3)
C318—N306—Zn42	119 (2)	C349—C345—C346	118 (3)
C314—N306—Zn32	116.1 (16)	C346—C345—C343	117 (3)
C314—N306—Zn42	123.5 (16)	N318—Zn45—I409	110.7 (11)
Zn48^vi—N336—Zn38^vi	5.9 (7)	N318—Zn45—I410	111.4 (12)
C404—N336—Zn48^vi	122.2 (14)	N319—Zn45—N318	101.0 (11)
C404—N336—Zn38^vi	118.9 (14)	N319—Zn45—I409	102.0 (9)
C408—N336—Zn48^vi	117.8 (15)	N319—Zn45—I410	111.5 (13)
C408—N336—C404	118.5 (18)	I409—Zn45—I410	118.4 (9)
C408—N336—Zn38^vi	122.0 (14)	N311—Zn43—I406	105.6 (13)
N334—C397—N333	127 (2)	N311—Zn43—I405	102.2 (12)
N334—C397—C399	118.5 (15)	N305^ii—Zn43—N311	100 (5)
N333—C397—C399	114.2 (16)	N305^ii—Zn43—I406	108 (6)
C366—N323—Zn36	114.2 (16)	N305^ii—Zn43—I405	107 (7)
C366—N323—Zn46	125.2 (18)	I406—Zn43—I405	129.5 (7)
C366—N323—C365	125 (2)	N335^iv—Zn41—C402^iv	28.6 (7)
C365—N323—Zn36	119.5 (15)	N335^iv—Zn41—I402	120.1 (9)
C365—N323—Zn46	107.0 (17)	N335^iv—Zn41—I401	100.3 (8)
N315—C343—N316	128 (2)	N335^iv—Zn41—N301	92.4 (10)
N315—C343—C345	120 (2)	I401—Zn41—I402	120.8 (7)
N316—C343—C345	111 (3)	N301—Zn41—C402^iv	99.8 (9)
C394—C393—C396	117.6 (18)	N301—Zn41—I402	127.5 (9)
C392—C393—C396	120.8 (18)	N301—Zn41—I401	88.0 (8)
C392—C393—C394	121.2 (19)	N324—Zn37—I314	106.7 (6)
C360—N320—C362	111.8 (17)	N324—Zn37—I313	110.6 (6)
N303—C307—N304	123 (2)	N325—Zn37—N324	100.3 (8)
N303—C307—C309	118.4 (19)	N325—Zn37—I314	111.8 (6)
N304—C307—C309	118 (2)	N325—Zn37—I313	103.8 (6)
C356—C357—C360	117.7 (19)	I314—Zn37—I313	121.71 (17)
C358—C357—C360	125 (2)	C305—N301—Zn31	117.5 (12)
C358—C357—C356	117.0 (19)	C305—N301—Zn41	96.2 (11)
C355—N319—Zn35	121.7 (16)	C305—N301—C301	120.0
C355—N319—C359	117 (2)	C301—N301—Zn31	122.5 (12)
C355—N319—Zn45	130.2 (17)	C301—N301—Zn41	142.3 (11)
C359—N319—Zn35	121.3 (15)	N301—C305—H305	120.0
C359—N319—Zn45	112.1 (16)	C304—C305—N301	120.0
N326—C380—N328	128 (2)	C304—C305—H305	120.0
N326—C380—C388	116 (2)	C305—C304—H304	120.0
N328—C380—C388	115 (2)	C303—C304—C305	120.0
C381—C385—H385	118.5	C303—C304—H304	120.0
C384—C385—H385	118.5	C304—C303—C306	120.9 (17)
C384—C385—C381	123 (2)	C304—C303—C302	120.0
C361—C363—C367	118.0 (18)	C302—C303—C306	119.1 (16)
C364—C363—C361	124.5 (18)	C303—C302—H302	120.0
C364—C363—C367	117 (2)	C301—C302—C303	120.0
C389—C388—C380	122 (2)	C301—C302—H302	120.0
C387—C388—C380	122 (3)	N301—C301—H301	120.0
C387—C388—C389	116 (2)	C302—C301—N301	120.0
N304—C308—C316	116 (2)	C302—C301—H301	120.0
N302—C308—N304	124 (2)	C345—C349—H349	118.2
N302—C308—C316	120 (2)	C348—C349—C345	124 (3)
C317—C316—C308	123 (2)	C348—C349—H349	118.2
C317—C316—C315	118 (2)	C345—C346—H346	121.8
C315—C316—C308	118 (3)	C345—C346—C347	116 (3)
C353—C352—C344	124 (2)	C347—C346—H346	121.8
C353—C352—C351	116 (2)	N306—Zn42—I404	109.3 (9)
C351—C352—C344	119 (3)	N306—Zn42—I403	107.8 (8)
C385—C381—C379	125.2 (18)	N307—Zn42—N306	101.4 (9)
C385—C381—C382	116 (2)	N307—Zn42—I404	111.1 (10)
C382—C381—C379	119 (2)	N307—Zn42—I403	100.5 (8)
C323—N307—Zn32	121.7 (15)	I403—Zn42—I404	124.2 (6)
C323—N307—C319	117 (2)	N312—Zn34—I308	107.8 (8)
C323—N307—Zn42	116.0 (15)	N312—Zn34—I307	110.8 (8)
C319—N307—Zn32	121.3 (17)	N313—Zn34—N312	103.3 (10)
C319—N307—Zn42	126.2 (17)	N313—Zn34—I308	105.1 (8)
C344—N316—C343	110 (3)	N313—Zn34—I307	106.8 (8)
C310—C309—C307	118.7 (15)	I308—Zn34—I307	121.4 (7)
C310—C309—C313	120.0	Zn36^viii—N317—Zn46^viii	28.3 (6)
C313—C309—C307	121.1 (15)	C347—N317—Zn36^viii	119 (2)
C309—C310—H310	120.0	C347—N317—Zn46^viii	91 (2)
C309—C310—C311	120.0	C348—N317—Zn36^viii	119 (2)
C311—C310—H310	120.0	C348—N317—C347	121 (3)
C310—C311—H311	120.0	C348—N317—Zn46^viii	147 (2)
N305—C311—C310	120.0	C346—C347—H347	119.2
N305—C311—H311	120.0	N317—C347—C346	122 (3)
C311—N305—Zn33^vii	120.6 (9)	N317—C347—H347	119.2
C311—N305—C312	120.0	N323—Zn46—N317^iii	93.1 (9)
C311—N305—Zn43^vii	117.2 (10)	N323—Zn46—I412	96.6 (9)
C312—N305—Zn33^vii	118.9 (8)	N323—Zn46—I411	117.5 (10)
C312—N305—Zn43^vii	122.7 (10)	N317^iii—Zn46—I412	87.0 (10)
N305—C312—H312	120.0	N317^iii—Zn46—I411	126.2 (11)
C313—C312—N305	120.0	I411—Zn46—I412	127.4 (10)
C313—C312—H312	120.0	N312—Zn44—I408	105.1 (7)
C309—C313—H313	120.0	N312—Zn44—I407	110.2 (7)
C312—C313—C309	120.0	N313—Zn44—N312	102.4 (9)
C312—C313—H313	120.0	N313—Zn44—I408	109.6 (8)
N327—C378—C375	118.3 (19)	N313—Zn44—I407	106.9 (7)
N326—C378—N327	122 (2)	I408—Zn44—I407	121.1 (5)
N326—C378—C375	119.3 (18)	N312—Zn54—N313	106 (6)
C326—N310—C325	114 (2)	N312—Zn54—I508	121 (2)
C405—C406—C398	124 (2)	N312—Zn54—I507	113 (2)
C405—C406—C407	113.0 (18)	N313—Zn54—I508	91 (4)
C407—C406—C398	123 (2)	N313—Zn54—I507	76 (3)
N331—C395—H395	117.5	I508—Zn54—I507	126 (3)
N331—C395—C394	125 (2)	N323—C365—C364	119 (2)
C394—C395—H395	117.5	N323—C365—H365	120.3
N322—C361—C363	117.0 (17)	C364—C365—H365	120.3
N321—C361—N322	124.3 (19)	C349—C348—H348	120.3
N321—C361—C363	118.5 (16)	N317—C348—C349	119 (3)
N335—C402—H402	118.7	N317—C348—H348	120.3
N335—C402—C403	123 (2)	N330—Zn49—I417	104.9 (7)
N335—C402—Zn41^v	54.8 (12)	N330—Zn49—I418	108.4 (7)
C403—C402—H402	118.7	N331—Zn49—N330	101.0 (7)
C403—C402—Zn41^v	172 (2)	N331—Zn49—I417	107.2 (7)
N336—C404—H404	121.0	N331—Zn49—I418	107.6 (8)
N336—C404—C405	118 (2)	I418—Zn49—I417	125.2 (4)
C405—C404—H404	121.0	N330—Zn59—N331	103 (3)
N329—C384—C385	121 (3)	N330—Zn59—I517	109 (4)
N329—C384—H384	119.3	N330—Zn59—I518	109 (4)
C385—C384—H384	119.3	N331—Zn59—I517	119 (5)
C406—C405—C404	125 (2)	N331—Zn59—I518	92 (3)
C406—C405—H405	117.5	I518—Zn59—I517	123 (3)
C404—C405—H405	117.5	C12A—O3A—C15A	119 (3)
C316—C317—H317	118.7	C6A—C1A—H1A	119.9
C316—C317—C318	123 (2)	C2A—C1A—H1A	119.9
C318—C317—H317	118.7	C2A—C1A—C6A	120 (2)
N322—C362—N320	126.6 (19)	C13A—O1A—H1AA	109.5
N322—C362—C370	118 (2)	C8A—O2A—C14A	116 (3)
N320—C362—C370	115 (2)	C4A—C5A—C13A	121 (2)
N308—C326—C334	117 (2)	C6A—C5A—C4A	119.0 (19)
N310—C326—N308	126 (2)	C6A—C5A—C13A	120 (2)
N310—C326—C334	116 (2)	O3A—C12A—C11A	122 (2)
C381—C382—H382	121.6	O3A—C12A—C7A	115 (2)
C383—C382—C381	117 (2)	C11A—C12A—C7A	123 (2)
C383—C382—H382	121.6	C5A—C4A—C7A	121 (2)
N314—C344—C352	117 (2)	C3A—C4A—C5A	119.7 (18)
N314—C344—N316	127 (3)	C3A—C4A—C7A	118 (2)
N316—C344—C352	116 (3)	C1A—C6A—H6A	119.6
C335—C334—C326	117.4 (19)	C5A—C6A—C1A	121 (2)
C335—C334—C333	118 (2)	C5A—C6A—H6A	119.6
C333—C334—C326	125 (2)	O2A—C8A—C9A	124 (2)
C328—C327—C325	120.0 (19)	O2A—C8A—C7A	115 (2)
C328—C327—C331	118 (2)	C9A—C8A—C7A	120.0 (15)
C331—C327—C325	122 (2)	C12A—C11A—H11A	121.1
C403—C399—C397	119.6 (17)	C10A—C11A—C12A	117.8 (19)
C400—C399—C397	124.4 (18)	C10A—C11A—H11A	121.1
C400—C399—C403	116 (2)	C8A—C9A—H9A	119.2
N314—C342—N315	125 (3)	C8A—C9A—C10A	121.6 (17)
N314—C342—C339	121 (2)	C10A—C9A—H9A	119.2
N315—C342—C339	114 (2)	O2A—C14A—H14A	109.5
N309—C325—N310	124 (2)	O2A—C14A—H14B	109.5
N309—C325—C327	121 (2)	O2A—C14A—H14C	109.5
N309—C325—C427	122 (3)	H14A—C14A—H14B	109.5
N310—C325—C327	115 (2)	H14A—C14A—H14C	109.5
N310—C325—C427	114 (3)	H14B—C14A—H14C	109.5
N311—C329—H329	117.0	C1A—C2A—H2A	120.6
N311—C329—C328	126 (2)	C1A—C2A—C3A	119 (2)
C328—C329—H329	117.0	C3A—C2A—H2A	120.6
C352—C353—H353	118.6	O3A—C15A—H15A	109.5
C352—C353—C354	123 (2)	O3A—C15A—H15B	109.5
C354—C353—H353	118.6	O3A—C15A—H15C	109.5
N303—C306—N302	126 (3)	H15A—C15A—H15B	109.5
N303—C306—C303	119 (2)	H15A—C15A—H15C	109.5
N302—C306—C303	115 (2)	H15B—C15A—H15C	109.5
N319—C355—H355	118.7	C12A—C7A—C4A	124 (2)
N319—C355—C356	123 (2)	C8A—C7A—C12A	117.3 (18)
C356—C355—H355	118.7	C8A—C7A—C4A	118 (2)
C374—C375—C378	118 (2)	O1A—C13A—C5A	113 (3)
C374—C375—C376	121 (3)	O1A—C13A—H13A	109.0
C376—C375—C378	120 (2)	O1A—C13A—H13B	109.0
C474—C375—C378	118 (2)	C5A—C13A—H13A	109.0
C474—C375—C476	122 (3)	C5A—C13A—H13B	109.0
C476—C375—C378	120 (2)	H13A—C13A—H13B	107.8
C342—C339—C340	122 (2)	N325—C473—H473	118.8
C338—C339—C342	127 (3)	N325—C473—C474	122 (3)
C338—C339—C340	111 (3)	C474—C473—H473	118.8
N334—C398—C406	117.6 (17)	C375—C474—C473	114 (3)
N332—C398—N334	124.5 (17)	C375—C474—H474	123.0
N332—C398—C406	117.8 (19)	C473—C474—H474	123.0
C327—C328—H328	122.6	C375—C476—H476	120.7
C329—C328—C327	115 (2)	C477—C476—C375	119 (3)
C329—C328—H328	122.6	C477—C476—H476	120.7
C388—C389—H389	118.3	N325—C477—C476	118 (3)
C388—C389—C390	123 (2)	N325—C477—H477	120.8
C390—C389—H389	118.3	C476—C477—H477	120.8
C324—C321—C320	122.9 (19)	N318—C350—H350	116.6
C322—C321—C324	125 (2)	N318—C350—C351	127 (3)
C322—C321—C320	112 (2)	C351—C350—H350	116.6
N308—C324—N309	125.5 (18)	C352—C351—H351	122.6
N308—C324—C321	116.3 (17)	C350—C351—C352	115 (3)
N309—C324—C321	118.0 (18)	C350—C351—H351	122.6
C363—C364—H364	120.1	C431—C430—H430	117.5
C363—C364—C365	120 (2)	N411—C430—H430	117.5
C365—C364—H364	120.1	N411—C430—C431	125 (3)
N335—C401—H401	118.3	C428—C429—H429	118.0
N335—C401—C400	123 (2)	N411—C429—H429	118.0
C400—C401—H401	118.3	N411—C429—C428	124 (4)
C321—C320—H320	118.3	C430—C431—H431	121.7
C319—C320—C321	123 (2)	C430—C431—C427	117 (3)
C319—C320—H320	118.3	C427—C431—H431	121.7
N318—C354—C353	121 (3)	C429—C428—H428	123.2
N318—C354—H354	119.6	C429—C428—C427	114 (3)
C353—C354—H354	119.6	C427—C428—H428	123.2
N324—C368—H368	119.5	C431—C427—C325	122 (3)
N324—C368—C369	121 (2)	C428—C427—C325	120 (3)
C369—C368—H368	119.5	C428—C427—C431	116 (4)
N306—C318—C317	119 (3)	C430—N411—Zn33	121 (4)
N306—C318—H318	120.3	C429—N411—Zn33	121 (4)
C317—C318—H318	120.3	C429—N411—C430	117 (3)
N321—C360—N320	124.4 (19)	C4A—C3A—C2A	121 (2)
N321—C360—C357	120 (2)	C4A—C3A—H3A	119.5
N320—C360—C357	115.3 (19)	C2A—C3A—H3A	119.5
N332—C396—C393	119.9 (18)	C11A—C10A—H10A	120.0
N333—C396—N332	122.6 (16)	C9A—C10A—C11A	120.0 (16)
N333—C396—C393	117.5 (16)	C9A—C10A—H10A	120.0
C402—C403—H403	121.2
Zn48—N329—C384—C385	−171 (2)	C355—N319—C359—C358	0 (4)
Zn48—N329—C383—C382	176 (2)	C375—C374—C373—N325	11 (6)
Zn48^vi—N336—C404—C405	−165 (2)	C375—C376—C377—N325	8 (6)
Zn48^vi—N336—C408—C407	174 (3)	C375—C476—C477—N325	9 (9)
Zn32—N306—C318—C317	−174.7 (15)	C339—C340—C341—N313	9 (7)
Zn32—N306—C314—C315	177 (2)	C398—N334—C397—N333	−4 (4)
Zn32—N307—C323—C322	−172 (2)	C398—N334—C397—C399	170 (2)
Zn32—N307—C319—C320	175 (3)	C398—N332—C396—N333	0 (4)
Zn39—N330—C390—C389	−179.5 (18)	C398—N332—C396—C393	177 (2)
Zn39—N330—C386—C387	−177 (3)	C398—C406—C405—C404	−172 (3)
Zn39—N331—C395—C394	172 (2)	C398—C406—C407—C408	−179 (3)
Zn39—N331—C391—C392	−173 (2)	C328—C327—C325—N309	8 (7)
Zn33^vii—N305—C312—C313	−172.0 (10)	C328—C327—C325—N310	−176 (4)
Zn35—N318—C354—C353	177 (2)	C328—C327—C331—C330	6 (8)
Zn35—N319—C355—C356	175 (2)	C389—C388—C387—C386	3 (5)
Zn35—N319—C359—C358	−176 (2)	C321—C320—C319—N307	−5 (6)
Zn36—N323—C366—C367	174 (3)	C324—N308—C326—N310	0 (4)
Zn36—N323—C365—C364	−169 (2)	C324—N308—C326—C334	−174 (2)
Zn36^viii—N317—C347—C346	178 (3)	C324—N309—C325—N310	1 (4)
Zn36^viii—N317—C348—C349	−173.6 (18)	C324—N309—C325—C327	175 (4)
Zn47—N324—C368—C369	170 (2)	C324—N309—C325—C427	−173 (8)
Zn47—N324—C372—C371	−176 (2)	C324—C321—C320—C319	−179 (3)
Zn47—N325—C373—C374	180 (4)	C324—C321—C322—C323	−177 (3)
Zn47—N325—C377—C376	171 (3)	C364—C363—C361—N322	−179 (3)
Zn31^v—N335—C402—C403	−178 (2)	C364—C363—C361—N321	−4 (4)
Zn31^v—N335—C401—C400	172 (2)	C364—C363—C367—C366	7 (4)
Zn31—N301—C305—C304	179.8 (11)	C401—N335—C402—C403	−5 (5)
Zn31—N301—C301—C302	−179.8 (12)	C401—N335—C402—Zn41^v	−176 (3)
N327—C379—N328—C380	−4 (3)	C320—C321—C324—N308	−177 (3)
N327—C379—C381—C385	168 (2)	C320—C321—C324—N309	8 (4)
N327—C379—C381—C382	−12 (3)	C320—C321—C322—C323	−3 (4)
N327—C378—C375—C374	25 (4)	C354—N318—C350—C351	10 (6)
N327—C378—C375—C376	−148 (3)	C368—N324—C372—C371	−6 (5)
N327—C378—C375—C474	−1 (5)	C318—N306—C314—C315	−7 (4)
N327—C378—C375—C476	−179 (4)	C360—N321—C361—N322	−4 (4)
N303—C307—C309—C310	−8 (2)	C360—N321—C361—C363	−179 (2)
N303—C307—C309—C313	176.7 (14)	C360—N320—C362—N322	3 (4)
N303—C306—C303—C304	−160.0 (18)	C360—N320—C362—C370	−173 (2)
N303—C306—C303—C302	18 (3)	C360—C357—C356—C355	176 (3)
N334—C397—C399—C403	15 (4)	C360—C357—C358—C359	−177 (3)
N334—C397—C399—C400	−167 (3)	C396—N332—C398—N334	−1 (4)
N322—C362—C370—C369	−174 (3)	C396—N332—C398—C406	−180 (2)
N322—C362—C370—C371	8 (4)	C396—N333—C397—N334	3 (4)
N333—C397—C399—C403	−171 (2)	C396—N333—C397—C399	−171 (2)
N333—C397—C399—C400	8 (4)	C396—C393—C394—C395	176 (2)
N308—C326—C334—C335	−176 (3)	C396—C393—C392—C391	−176 (3)
N308—C326—C334—C333	7 (4)	C403—C399—C400—C401	−10 (4)
N312—C336—C335—C334	14 (5)	C356—C357—C360—N321	4 (4)
N304—C307—C309—C310	174.7 (14)	C356—C357—C360—N320	−178 (3)
N304—C307—C309—C313	−1 (2)	C356—C357—C358—C359	−2 (4)
N304—C308—C316—C317	−6 (3)	C390—N330—C386—C387	9 (5)
N304—C308—C316—C315	−174 (2)	C358—C357—C360—N321	179 (3)
N326—C380—C388—C389	159 (2)	C358—C357—C360—N320	−3 (4)
N326—C380—C388—C387	−27 (4)	C358—C357—C356—C355	0 (4)
N326—C378—C375—C374	−159 (4)	C407—C406—C405—C404	8 (5)
N326—C378—C375—C376	28 (4)	C407—C406—C398—N334	2 (4)
N326—C378—C375—C474	175 (5)	C407—C406—C398—N332	−180 (3)
N326—C378—C375—C476	−2 (5)	C323—N307—C319—C320	1 (5)
C379—N327—C378—N326	4 (3)	C359—N319—C355—C356	−2 (4)
C379—N327—C378—C375	−179.5 (17)	C400—C399—C403—C402	4 (4)
C379—N328—C380—N326	2 (3)	C336—N312—C332—C333	3 (5)
C379—N328—C380—C388	−177.3 (16)	C372—N324—C368—C369	−3 (4)
C379—C381—C382—C383	−173 (2)	C394—C393—C396—N332	10 (4)
N302—C308—C316—C317	−178 (2)	C394—C393—C396—N333	−173 (2)
N302—C308—C316—C315	13 (3)	C394—C393—C392—C391	−4 (4)
N302—C306—C303—C304	23 (3)	C335—C334—C333—C332	−3 (5)
N302—C306—C303—C302	−158.6 (18)	C314—N306—C318—C317	10 (3)
N309—C325—C427—C431	173 (8)	C337—N313—C341—C340	−8 (7)
N309—C325—C427—C428	10 (14)	C319—N307—C323—C322	2 (5)
N314—C342—C339—C340	14 (4)	C383—N329—C384—C385	4 (3)
N314—C342—C339—C338	−165 (3)	C366—N323—C365—C364	0 (5)
N324—C368—C369—C370	12 (4)	C374—C375—C376—C377	5 (6)
N324—C372—C371—C370	6 (6)	C315—C316—C317—C318	−11 (3)
N331—C395—C394—C393	−1 (4)	C408—N336—C404—C405	1 (4)
N335—C402—C403—C399	4 (5)	C322—C321—C324—N308	−3 (4)
N335—C401—C400—C399	9 (5)	C322—C321—C324—N309	−178 (3)
N315—C343—N316—C344	−8 (3)	C322—C321—C320—C319	6 (5)
N315—C343—C345—C349	165 (2)	C331—C327—C325—N309	−166 (4)
N315—C343—C345—C346	−16 (4)	C331—C327—C325—N310	9 (7)
N315—C342—C339—C340	−166 (3)	C331—C327—C328—C329	−11 (8)
N315—C342—C339—C338	14 (5)	C392—C393—C396—N332	−177 (3)
N318—C350—C351—C352	−13 (6)	C392—C393—C396—N333	0 (4)
N311—C329—C328—C327	10 (9)	C392—C393—C394—C395	4 (4)
N328—C379—C381—C385	−11 (3)	C340—C339—C338—C337	0 (6)
N328—C379—C381—C382	169 (2)	C333—C334—C335—C336	−6 (5)
N328—C380—C388—C389	−21 (3)	C367—C363—C361—N322	9 (4)
N328—C380—C388—C387	153 (3)	C367—C363—C361—N321	−176 (2)
N325—C473—C474—C375	−10 (9)	C367—C363—C364—C365	−4 (4)
N313—C337—C338—C339	1 (7)	C376—C375—C374—C373	−14 (6)
N306—C314—C315—C316	−5 (5)	C332—N312—C336—C335	−12 (5)
N336—C404—C405—C406	−9 (5)	C391—N331—C395—C394	−1 (4)
C397—N334—C398—N332	3 (4)	C369—C370—C371—C372	3 (5)
C397—N334—C398—C406	−178 (2)	C373—N325—C377—C376	−11 (6)
C397—N333—C396—N332	−1 (3)	C371—C370—C369—C368	−11 (4)
C397—N333—C396—C393	−177 (2)	C338—C339—C340—C341	−5 (6)
C397—C399—C403—C402	−178 (2)	C377—N325—C373—C374	1 (6)
C397—C399—C400—C401	172 (3)	C341—N313—C337—C338	3 (7)
N323—C366—C367—C363	−8 (5)	C330—N311—C329—C328	−3 (8)
C343—N315—C342—N314	4 (3)	C387—C388—C389—C390	0 (4)
C343—N315—C342—C339	−176 (2)	C386—N330—C390—C389	−6 (4)
C343—N316—C344—N314	11 (3)	Zn38—N329—C384—C385	−171.9 (17)
C343—N316—C344—C352	−175.4 (19)	Zn38—N329—C383—C382	178 (2)
C343—C345—C349—C348	179 (2)	Zn38^vi—N336—C404—C405	−171 (2)
C343—C345—C346—C347	−175 (3)	Zn38^vi—N336—C408—C407	178 (3)
C393—C392—C391—N331	1 (5)	C345—C343—N316—C344	170 (2)
N320—C362—C370—C369	2 (4)	C345—C349—C348—N317	−1 (4)
N320—C362—C370—C371	−175 (3)	C345—C346—C347—N317	−7 (5)
C307—N303—C306—N302	−1 (3)	Zn45—N318—C354—C353	−178 (2)
C307—N303—C306—C303	−177.7 (18)	Zn45—N318—C350—C351	−175 (3)
C307—N304—C308—N302	−2 (3)	Zn45—N319—C355—C356	167 (2)
C307—N304—C308—C316	−174.4 (17)	Zn45—N319—C359—C358	−170 (3)
C307—C309—C310—C311	−175.3 (15)	Zn43—N311—C329—C328	−176 (5)
C307—C309—C313—C312	175.2 (16)	Zn43—N311—C330—C331	171 (3)
C357—C358—C359—N319	1 (5)	Zn43^vii—N305—C312—C313	−175.1 (12)
N319—C355—C356—C357	1 (5)	Zn41^v—N335—C402—C403	171 (3)
C380—N326—C378—N327	−6 (3)	Zn41^v—N335—C401—C400	−174 (3)
C380—N326—C378—C375	178.1 (19)	Zn41—N301—C305—C304	−168.9 (9)
C380—C388—C389—C390	174 (2)	Zn41—N301—C301—C302	161.7 (16)
C380—C388—C387—C386	−171 (3)	Zn37—N324—C368—C369	173 (2)
C385—C381—C382—C383	7 (4)	Zn37—N324—C372—C371	178 (3)
C363—C364—C365—N323	0 (4)	Zn37—N325—C473—C474	177 (5)
C388—C389—C390—N330	1 (4)	Zn37—N325—C477—C476	−178 (5)
C388—C387—C386—N330	−8 (6)	N301—C305—C304—C303	0.0
C308—N304—C307—N303	−2 (3)	C305—N301—C301—C302	0.0
C308—N304—C307—C309	175.3 (16)	C305—C304—C303—C306	178.4 (17)
C308—N302—C306—N303	−2 (3)	C305—C304—C303—C302	0.0
C308—N302—C306—C303	174.4 (17)	C304—C303—C302—C301	0.0
C308—C316—C317—C318	−179.8 (19)	C303—C302—C301—N301	0.0
C308—C316—C315—C314	−178 (2)	C301—N301—C305—C304	0.0
C316—C317—C318—N306	−1 (3)	C349—C345—C346—C347	4 (5)
C352—C353—C354—N318	0 (4)	C346—C345—C349—C348	0 (4)
C381—C379—N328—C380	175.0 (17)	Zn42—N306—C318—C317	−172.3 (16)
C381—C385—C384—N329	−4 (3)	Zn42—N306—C314—C315	175 (2)
C381—C382—C383—N329	−7 (4)	Zn42—N307—C323—C322	−167 (3)
N307—C323—C322—C321	0 (5)	Zn42—N307—C319—C320	169 (3)
N316—C343—C345—C349	−13 (3)	Zn34—N312—C336—C335	175 (2)
N316—C343—C345—C346	167 (3)	Zn34—N312—C332—C333	176 (2)
C309—C310—C311—N305	0.0	Zn34—N313—C337—C338	175 (4)
C310—C309—C313—C312	0.0	Zn34—N313—C341—C340	180 (4)
C310—C311—N305—Zn33^vii	171.9 (10)	C347—N317—C348—C349	−2 (4)
C310—C311—N305—C312	0.0	Zn46—N323—C366—C367	−156 (2)
C310—C311—N305—Zn43^vii	175.4 (11)	Zn46—N323—C365—C364	163 (2)
C311—N305—C312—C313	0.0	Zn46^viii—N317—C347—C346	178 (3)
N305—C312—C313—C309	0.0	Zn46^viii—N317—C348—C349	−168 (2)
C313—C309—C310—C311	0.0	Zn44—N312—C336—C335	174 (2)
C378—N327—C379—N328	1 (3)	Zn44—N312—C332—C333	176 (2)
C378—N327—C379—C381	−177.7 (17)	Zn44—N313—C337—C338	173 (3)
C378—N326—C380—N328	2 (3)	Zn44—N313—C341—C340	−178 (4)
C378—N326—C380—C388	−178.4 (18)	Zn54—N312—C336—C335	173 (5)
C378—C375—C374—C373	174 (3)	Zn54—N312—C332—C333	177 (6)
C378—C375—C376—C377	177 (3)	Zn54—N313—C337—C338	175 (4)
C378—C375—C474—C473	−176 (4)	Zn54—N313—C341—C340	179 (4)
C378—C375—C476—C477	176 (5)	C365—N323—C366—C367	4 (5)
N310—C326—C334—C335	9 (4)	C348—N317—C347—C346	6 (5)
N310—C326—C334—C333	−168 (3)	Zn49—N330—C390—C389	179.8 (18)
N310—C325—C427—C431	−1 (14)	Zn49—N330—C386—C387	−177 (3)
N310—C325—C427—C428	−164 (8)	Zn49—N331—C395—C394	172 (2)
C406—C407—C408—N336	−8 (6)	Zn59—N330—C390—C389	172 (4)
C395—N331—C391—C392	1 (5)	Zn59—N330—C386—C387	−169 (4)
C361—N322—C362—N320	−7 (4)	Zn59—N331—C395—C394	−171 (3)
C361—N322—C362—C370	169 (2)	O3A—C12A—C11A—C10A	179 (3)
C361—N321—C360—N320	0 (4)	O3A—C12A—C7A—C4A	1 (4)
C361—N321—C360—C357	179 (2)	O3A—C12A—C7A—C8A	−180 (3)
C361—C363—C364—C365	−176 (3)	C1A—C2A—C3A—C4A	2 (5)
C361—C363—C367—C366	−180 (3)	O2A—C8A—C9A—C10A	179 (4)
C402—N335—C401—C400	−1 (5)	O2A—C8A—C7A—C12A	−179 (3)
C404—N336—C408—C407	7 (5)	O2A—C8A—C7A—C4A	0 (3)
C384—N329—C383—C382	2 (4)	C5A—C4A—C7A—C12A	−67 (5)
C384—C385—C381—C379	178 (2)	C5A—C4A—C7A—C8A	114 (3)
C384—C385—C381—C382	−2 (3)	C5A—C4A—C3A—C2A	−5 (5)
C405—C406—C398—N334	−178 (3)	C12A—C11A—C10A—C9A	0 (5)
C405—C406—C398—N332	1 (4)	C4A—C5A—C6A—C1A	1 (6)
C405—C406—C407—C408	1 (5)	C4A—C5A—C13A—O1A	−154 (3)
C317—C316—C315—C314	13 (4)	C6A—C1A—C2A—C3A	3 (6)
C362—N322—C361—N321	7 (4)	C6A—C5A—C4A—C7A	173 (3)
C362—N322—C361—C363	−178 (2)	C6A—C5A—C4A—C3A	4 (5)
C362—N320—C360—N321	0 (4)	C6A—C5A—C13A—O1A	28 (5)
C362—N320—C360—C357	−178 (2)	C8A—C9A—C10A—C11A	0 (4)
C362—C370—C369—C368	171 (3)	C11A—C12A—C7A—C4A	−179 (3)
C362—C370—C371—C372	−179 (3)	C11A—C12A—C7A—C8A	0 (4)
C326—N308—C324—N309	0 (4)	C9A—C8A—C7A—C12A	0 (2)
C326—N308—C324—C321	−174 (2)	C9A—C8A—C7A—C4A	179 (3)
C326—N310—C325—N309	0 (4)	C14A—O2A—C8A—C9A	7 (5)
C326—N310—C325—C327	−175 (4)	C14A—O2A—C8A—C7A	−174 (3)
C326—N310—C325—C427	174 (7)	C2A—C1A—C6A—C5A	−4 (6)
C326—C334—C335—C336	176 (3)	C15A—O3A—C12A—C11A	0 (5)
C326—C334—C333—C332	174 (3)	C15A—O3A—C12A—C7A	180 (4)
C344—N314—C342—N315	−1 (3)	C7A—C12A—C11A—C10A	0 (5)
C344—N314—C342—C339	178 (2)	C7A—C4A—C3A—C2A	−174 (3)
C344—C352—C353—C354	175 (3)	C7A—C8A—C9A—C10A	0 (2)
C344—C352—C351—C350	−170 (3)	C13A—C5A—C4A—C7A	−6 (5)
C334—C333—C332—N312	5 (5)	C13A—C5A—C4A—C3A	−174 (3)
C327—C331—C330—N311	1 (7)	C13A—C5A—C6A—C1A	179 (4)
C342—N314—C344—C352	179 (2)	C473—N325—C477—C476	−18 (9)
C342—N314—C344—N316	−7 (3)	C474—C375—C476—C477	−1 (9)
C342—N315—C343—N316	1 (3)	C476—C375—C474—C473	2 (8)
C342—N315—C343—C345	−176 (2)	C477—N325—C473—C474	19 (9)
C342—C339—C340—C341	176 (4)	C350—N318—C354—C353	−3 (4)
C342—C339—C338—C337	179 (4)	C351—C352—C344—N314	−18 (4)
C325—N309—C324—N308	−1 (4)	C351—C352—C344—N316	167 (3)
C325—N309—C324—C321	174 (2)	C351—C352—C353—C354	−3 (4)
C325—N310—C326—N308	−1 (4)	C430—C431—C427—C325	172 (11)
C325—N310—C326—C334	174 (2)	C430—C431—C427—C428	−24 (13)
C325—C327—C328—C329	174 (4)	C429—C428—C427—C325	−164 (10)
C325—C327—C331—C330	−179 (4)	C429—C428—C427—C431	32 (14)
C329—N311—C330—C331	−3 (7)	C431—C430—N411—Zn33	177 (8)
C353—C352—C344—N314	163 (2)	C431—C430—N411—C429	4 (16)
C353—C352—C344—N316	−11 (4)	C428—C429—N411—Zn33	−167 (10)
C353—C352—C351—C350	9 (5)	C428—C429—N411—C430	7 (18)
C306—N303—C307—N304	3 (3)	N411—C430—C431—C427	5 (15)
C306—N303—C307—C309	−173.8 (18)	N411—C429—C428—C427	−26 (17)
C306—N302—C308—N304	4 (3)	C3A—C4A—C7A—C12A	101 (4)
C306—N302—C308—C316	176.0 (18)	C3A—C4A—C7A—C8A	−78 (4)
C306—C303—C302—C301	−178.4 (17)

Symmetry codes: (i) x, −y+2, z+1/2; (ii) x, −y, z−1/2; (iii) x, −y+1, z−1/2; (iv) x+1/2, y−3/2, z+1; (v) x−1/2, y+3/2, z−1; (vi) x, −y+2, z−1/2; (vii) x, −y, z+1/2; (viii) x, −y+1, z+1/2.

catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc cyclohexane solvate (4_1_24b)

Crystal data

C36H24I6N12Zn3·1.727(C6H12)	F(000) = 6519
Mr = 1727.54	Dx = 1.517 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.3474 (9) Å	Cell parameters from 8256 reflections
b = 15.1342 (3) Å	θ = 2.7–73.5°
c = 29.5974 (9) Å	µ = 20.58 mm^−1
β = 100.420 (2)°	T = 100 K
V = 15131.6 (7) Å^3	Block, colourless
Z = 8	0.22 × 0.09 × 0.05 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	13719 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	10910 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.036
Detector resolution: 10 pixels mm^-1	θmax = 68.2°, θmin = 2.6°
profile data from ω–scans	h = −41→38
Absorption correction: analytical CrysAlisPro 1.171.41.122a (Rigaku Oxford Diffraction, 2021) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −18→9
Tmin = 0.132, Tmax = 0.426	l = −35→34
48974 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.064	H-atom parameters constrained
wR(F^2) = 0.208	w = 1/[σ^2(Fo^2) + (0.1156P)^2 + 78.6523P] where P = (Fo^2 + 2Fc^2)/3
S = 1.06	(Δ/σ)max = 0.001
13719 reflections	Δρmax = 1.38 e Å^−3
910 parameters	Δρmin = −0.49 e Å^−3
586 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I303	0.38380 (5)	0.26231 (12)	0.44773 (8)	0.0541 (3)	0.573
I304	0.47354 (6)	0.34417 (13)	0.35967 (6)	0.0583 (4)	0.573
I305	0.11803 (12)	0.2619 (2)	0.07569 (18)	0.250 (3)	0.5991
I306	0.15745 (13)	0.4362 (4)	−0.03133 (16)	0.234 (3)	0.5991
Zn32	0.42000 (11)	0.3739 (2)	0.40661 (12)	0.0424 (9)	0.573
I301	0.37385 (11)	0.8447 (2)	0.80696 (14)	0.0897 (7)	0.4154
I302	0.26887 (14)	0.7704 (3)	0.7028 (2)	0.1119 (11)	0.4154
Zn33	0.13308 (19)	0.4095 (4)	0.0430 (2)	0.141 (4)	0.5991
Zn31	0.3294 (2)	0.8639 (6)	0.7295 (2)	0.0732 (14)	0.4154
N308	0.28067 (17)	0.5510 (4)	0.2243 (2)	0.0613 (16)
N306	0.43999 (18)	0.4749 (4)	0.4528 (2)	0.0583 (15)
N309	0.31671 (18)	0.6783 (4)	0.2510 (2)	0.0633 (16)
N310	0.26668 (18)	0.6878 (4)	0.1849 (2)	0.0629 (16)
N307	0.37811 (18)	0.4497 (4)	0.3620 (2)	0.0619 (16)
N303	0.4677 (2)	0.8574 (4)	0.5814 (2)	0.0671 (17)
N302	0.4338 (2)	0.7241 (4)	0.5603 (2)	0.0625 (16)
N305	0.5855 (2)	1.0112 (5)	0.5411 (3)	0.078 (2)
N304	0.48637 (19)	0.7675 (4)	0.5234 (2)	0.0640 (16)
N312	0.1754 (2)	0.4707 (4)	0.0910 (3)	0.081 (2)
C308	0.4581 (2)	0.7113 (5)	0.5312 (3)	0.0615 (19)
C316	0.4536 (2)	0.6273 (5)	0.5046 (3)	0.0622 (19)
C309	0.5229 (2)	0.9011 (5)	0.5463 (3)	0.065 (2)
N311	0.3126 (3)	1.0011 (5)	0.2196 (3)	0.091 (2)
C325	0.2948 (2)	0.7219 (4)	0.2171 (3)	0.0605 (18)
C317	0.4758 (2)	0.6086 (5)	0.4712 (3)	0.0590 (18)
H317	0.495837	0.648231	0.465590	0.071*
C318	0.4685 (2)	0.5320 (5)	0.4464 (3)	0.0579 (17)
H318	0.484200	0.518703	0.423958	0.069*
C324	0.3083 (2)	0.5928 (4)	0.2534 (3)	0.0597 (18)
C307	0.4898 (2)	0.8383 (5)	0.5503 (3)	0.0629 (19)
C327	0.3004 (2)	0.8198 (5)	0.2167 (3)	0.068 (2)
C326	0.2618 (2)	0.6005 (4)	0.1897 (3)	0.0588 (18)
C321	0.3312 (2)	0.5428 (4)	0.2918 (3)	0.0594 (18)
N301	0.3609 (3)	0.8477 (5)	0.6761 (3)	0.096 (3)
C306	0.4397 (2)	0.7978 (5)	0.5851 (3)	0.065 (2)
C313	0.5373 (3)	0.9071 (5)	0.5080 (3)	0.073 (2)
H313	0.526295	0.872760	0.481922	0.087*
C315	0.4251 (3)	0.5656 (5)	0.5124 (3)	0.069 (2)
H315	0.409740	0.575121	0.535646	0.083*
C303	0.4127 (3)	0.8148 (5)	0.6167 (3)	0.070 (2)
C334	0.2315 (2)	0.5554 (5)	0.1546 (3)	0.0633 (19)
C335	0.2076 (3)	0.6018 (5)	0.1209 (3)	0.075 (2)
H335	0.209947	0.664058	0.118545	0.090*
C314	0.4201 (3)	0.4908 (5)	0.4856 (3)	0.067 (2)
H314	0.401069	0.448478	0.491184	0.081*
C312	0.5688 (3)	0.9646 (5)	0.5062 (3)	0.074 (2)
H312	0.578381	0.969715	0.478140	0.089*
C322	0.3264 (3)	0.4533 (5)	0.2973 (3)	0.073 (2)
H322	0.306207	0.422475	0.277233	0.088*
C323	0.3510 (3)	0.4080 (5)	0.3321 (3)	0.076 (2)
H323	0.348320	0.345824	0.334459	0.092*
C336	0.1799 (3)	0.5556 (5)	0.0902 (3)	0.083 (3)
H336	0.162987	0.588174	0.067150	0.100*
C333	0.2266 (3)	0.4655 (5)	0.1567 (4)	0.084 (3)
H333	0.242611	0.431561	0.179966	0.101*
C311	0.5714 (3)	1.0046 (8)	0.5791 (4)	0.104 (4)
H311	0.582981	1.039691	0.604675	0.124*
C331	0.2807 (3)	0.8749 (6)	0.1835 (4)	0.097 (3)
H331	0.262630	0.850666	0.158451	0.116*
C332	0.1981 (3)	0.4255 (5)	0.1244 (4)	0.097 (4)
H332	0.194543	0.363416	0.126037	0.116*
C330	0.2868 (3)	0.9645 (7)	0.1859 (5)	0.108 (4)
H330	0.272143	1.001386	0.162883	0.129*
C320	0.3580 (3)	0.5844 (5)	0.3261 (3)	0.085 (3)
H320	0.360352	0.646959	0.326369	0.102*
C304	0.3792 (4)	0.7674 (7)	0.6141 (4)	0.096 (3)
H304	0.373710	0.720881	0.592336	0.115*
C319	0.3805 (3)	0.5358 (5)	0.3588 (3)	0.088 (3)
H319	0.399404	0.565734	0.380961	0.106*
C310	0.5405 (3)	0.9490 (7)	0.5841 (4)	0.095 (3)
H310	0.531630	0.944083	0.612567	0.114*
C328	0.3254 (4)	0.8588 (6)	0.2515 (4)	0.106 (4)
H328	0.339129	0.823903	0.275982	0.127*
C305	0.3528 (4)	0.7857 (7)	0.6426 (5)	0.105 (4)
H305	0.328459	0.754301	0.638852	0.126*
C329	0.3312 (5)	0.9496 (7)	0.2516 (4)	0.118 (5)
H329	0.349504	0.975136	0.276055	0.141*
C301	0.3939 (4)	0.8939 (9)	0.6788 (5)	0.115 (4)
H301	0.399469	0.939113	0.701283	0.138*
C302	0.4202 (4)	0.8785 (8)	0.6505 (4)	0.107 (4)
H302	0.443905	0.912003	0.653904	0.128*
I402	0.25603 (13)	0.7833 (3)	0.6833 (2)	0.188 (3)	0.538
Zn41	0.3185 (2)	0.8634 (5)	0.7175 (2)	0.118 (3)	0.538
I401	0.35756 (16)	0.8290 (2)	0.79658 (13)	0.193 (2)	0.538
I405	0.12028 (6)	0.26050 (15)	0.07067 (9)	0.0666 (6)	0.3737
Zn43	0.13639 (17)	0.4095 (4)	0.03861 (19)	0.0510 (13)	0.3737
I406	0.16050 (9)	0.4470 (2)	−0.03475 (9)	0.0746 (7)	0.3737
I502	0.2402 (4)	0.8125 (11)	0.6433 (5)	0.080*	0.0466
I501	0.3216 (4)	0.7947 (10)	0.7732 (5)	0.080*	0.0466
Zn51	0.3007 (10)	0.867 (2)	0.6896 (11)	0.080*	0.0466
I505	0.1178 (9)	0.246 (2)	0.1031 (11)	0.080*	0.0272
Zn53	0.125 (3)	0.399 (6)	0.070 (2)	0.080*	0.0272
I506	0.1454 (12)	0.416 (2)	−0.0095 (14)	0.080*	0.0272
I404	0.47720 (16)	0.3486 (4)	0.36301 (18)	0.144 (2)	0.427
Zn42	0.4212 (2)	0.3785 (5)	0.4043 (3)	0.100 (3)	0.427
I403	0.38191 (15)	0.2664 (3)	0.44057 (17)	0.131 (2)	0.427
C808	0.4173 (7)	0.2867 (16)	0.5896 (9)	0.105 (7)	0.3588
H80A	0.423988	0.315232	0.561939	0.127*	0.3588
H80B	0.432180	0.316836	0.617101	0.127*	0.3588
C809	0.4283 (8)	0.1894 (17)	0.5905 (8)	0.109 (7)	0.3588
H80C	0.457318	0.184195	0.593088	0.131*	0.3588
H80D	0.415795	0.162149	0.561038	0.131*	0.3588
C810	0.4156 (8)	0.1383 (19)	0.6298 (11)	0.123 (9)	0.3588
H81A	0.421059	0.074677	0.626079	0.148*	0.3588
H81B	0.431837	0.158036	0.659172	0.148*	0.3588
C811	0.3722 (8)	0.1497 (16)	0.6323 (12)	0.116 (8)	0.3588
H81C	0.366750	0.122959	0.661066	0.139*	0.3588
H81D	0.355701	0.119160	0.606092	0.139*	0.3588
C812	0.3616 (8)	0.2481 (16)	0.6312 (8)	0.095 (7)	0.3588
H81E	0.332851	0.254786	0.630456	0.114*	0.3588
H81F	0.375788	0.277004	0.659419	0.114*	0.3588
C807	0.3727 (7)	0.294 (2)	0.5891 (9)	0.109 (7)	0.3588
H80E	0.364989	0.356748	0.588941	0.131*	0.3588
H80F	0.358052	0.265912	0.560818	0.131*	0.3588
C806	0.4653 (9)	0.7167 (16)	0.3475 (7)	0.114 (7)	0.376
H80G	0.488303	0.691688	0.368710	0.136*	0.376
H80H	0.440903	0.694505	0.357073	0.136*	0.376
C805	0.4663 (10)	0.686 (2)	0.2986 (8)	0.133 (9)	0.376
H80I	0.462659	0.621472	0.296750	0.159*	0.376
H80J	0.492575	0.700082	0.291123	0.159*	0.376
C804	0.4343 (9)	0.730 (2)	0.2633 (9)	0.135 (10)	0.376
H80K	0.407810	0.712565	0.268787	0.162*	0.376
H80L	0.436813	0.710976	0.231998	0.162*	0.376
C803	0.4383 (10)	0.8317 (19)	0.2667 (7)	0.135 (9)	0.376
H80M	0.464745	0.850247	0.261251	0.162*	0.376
H80N	0.417913	0.860403	0.243458	0.162*	0.376
C802	0.4330 (9)	0.8586 (19)	0.3153 (8)	0.130 (9)	0.376
H80O	0.407070	0.837591	0.321015	0.156*	0.376
H80P	0.433673	0.923813	0.318101	0.156*	0.376
C801	0.4664 (7)	0.8180 (16)	0.3508 (7)	0.103 (7)	0.376
H80Q	0.463444	0.836532	0.382032	0.124*	0.376
H80R	0.492327	0.839756	0.345157	0.124*	0.376
C832	0.2365 (10)	0.310 (2)	0.4634 (9)	0.087 (8)	0.3256
H83C	0.214078	0.339054	0.443246	0.104*	0.3256
H83D	0.261466	0.333805	0.456171	0.104*	0.3256
C831	0.2348 (10)	0.216 (3)	0.4558 (10)	0.096 (10)	0.3256
H83E	0.208797	0.193636	0.460619	0.115*	0.3256
H83F	0.237302	0.203770	0.423649	0.115*	0.3256
C833	0.2345 (11)	0.328 (3)	0.5138 (11)	0.117 (14)	0.3256
H83G	0.236545	0.392185	0.519658	0.140*	0.3256
H83H	0.208499	0.307801	0.520102	0.140*	0.3256
C819	0.3734 (11)	0.417 (3)	0.2007 (10)	0.115 (11)	0.3033
H81G	0.377202	0.353981	0.193613	0.138*	0.3033
H81H	0.348638	0.421685	0.213170	0.138*	0.3033
C824	0.4079 (9)	0.446 (3)	0.2377 (8)	0.114 (10)	0.3033
H82A	0.411899	0.402110	0.262669	0.137*	0.3033
H82B	0.400842	0.503134	0.250844	0.137*	0.3033
C823	0.4467 (8)	0.458 (4)	0.2200 (11)	0.126 (11)	0.3033
H82C	0.457060	0.399625	0.213320	0.151*	0.3033
H82D	0.466461	0.486633	0.244136	0.151*	0.3033
C822	0.4412 (11)	0.515 (3)	0.1764 (11)	0.124 (11)	0.3033
H82E	0.435335	0.576615	0.184309	0.149*	0.3033
H82F	0.466207	0.515527	0.164208	0.149*	0.3033
C821	0.4079 (10)	0.481 (3)	0.1393 (8)	0.118 (9)	0.3033
H82G	0.415796	0.423730	0.127879	0.141*	0.3033
H82H	0.403968	0.523261	0.113234	0.141*	0.3033
C820	0.3687 (8)	0.470 (2)	0.1563 (9)	0.108 (8)	0.3033
H82I	0.357826	0.528853	0.161304	0.129*	0.3033
H82J	0.349589	0.439430	0.132289	0.129*	0.3033
C813	0.3152 (9)	0.519 (2)	0.4623 (13)	0.122 (11)	0.2581
H81I	0.339759	0.548824	0.457577	0.146*	0.2581
H81J	0.316135	0.457278	0.451300	0.146*	0.2581
C818	0.3139 (11)	0.518 (2)	0.5139 (12)	0.127 (11)	0.2581
H81K	0.291466	0.480529	0.519321	0.153*	0.2581
H81L	0.338623	0.491347	0.530836	0.153*	0.2581
C817	0.3091 (11)	0.611 (3)	0.5318 (13)	0.147 (13)	0.2581
H81M	0.307176	0.608631	0.564803	0.176*	0.2581
H81N	0.332509	0.647244	0.528780	0.176*	0.2581
C816	0.2717 (10)	0.654 (3)	0.5047 (15)	0.147 (13)	0.2581
H81O	0.269355	0.715215	0.515986	0.176*	0.2581
H81P	0.248185	0.620555	0.509753	0.176*	0.2581
C815	0.2730 (11)	0.657 (2)	0.4533 (14)	0.142 (12)	0.2581
H81Q	0.247708	0.680921	0.436556	0.170*	0.2581
H81R	0.294506	0.696716	0.448050	0.170*	0.2581
C814	0.2797 (10)	0.566 (3)	0.4337 (12)	0.131 (11)	0.2581
H81S	0.255745	0.528991	0.432881	0.158*	0.2581
H81T	0.284253	0.572329	0.401743	0.158*	0.2581
C829	0.4518 (9)	0.485 (3)	0.201 (2)	0.132 (12)	0.2682
H82K	0.477812	0.484319	0.191438	0.158*	0.2682
H82L	0.454541	0.520690	0.229988	0.158*	0.2682
C830	0.4392 (10)	0.390 (2)	0.2108 (17)	0.122 (11)	0.2682
H83A	0.437436	0.354246	0.182566	0.147*	0.2682
H83B	0.459181	0.362972	0.235102	0.147*	0.2682
C825	0.3987 (11)	0.392 (2)	0.2261 (14)	0.106 (10)	0.2682
H82M	0.401318	0.422932	0.255972	0.128*	0.2682
H82N	0.390076	0.330619	0.230477	0.128*	0.2682
C826	0.3672 (9)	0.439 (2)	0.1905 (18)	0.111 (11)	0.2682
H82O	0.362560	0.404484	0.161568	0.133*	0.2682
H82P	0.341978	0.441761	0.202145	0.133*	0.2682
C827	0.3806 (11)	0.533 (2)	0.1809 (17)	0.132 (11)	0.2682
H82Q	0.383746	0.568785	0.209284	0.158*	0.2682
H82R	0.360407	0.561523	0.157296	0.158*	0.2682
C828	0.4205 (13)	0.528 (3)	0.1637 (19)	0.142 (13)	0.2682
H82S	0.417296	0.491427	0.135401	0.171*	0.2682
H82T	0.429062	0.587485	0.156484	0.171*	0.2682

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I303	0.0637 (7)	0.0300 (6)	0.0649 (6)	−0.0042 (5)	0.0019 (5)	0.0046 (4)
I304	0.0577 (7)	0.0596 (8)	0.0545 (6)	0.0138 (6)	0.0017 (5)	0.0049 (6)
I305	0.207 (3)	0.0619 (18)	0.387 (6)	−0.0008 (16)	−0.203 (3)	−0.010 (2)
I306	0.117 (3)	0.331 (6)	0.219 (4)	0.065 (3)	−0.061 (2)	−0.165 (4)
Zn32	0.0466 (18)	0.0255 (16)	0.0496 (16)	0.0022 (12)	−0.0057 (15)	0.0021 (12)
I301	0.1266 (14)	0.0448 (9)	0.0907 (13)	0.0103 (9)	0.0014 (10)	0.0094 (8)
I302	0.1003 (15)	0.0558 (13)	0.183 (3)	−0.0199 (10)	0.0353 (15)	−0.0447 (14)
Zn33	0.096 (4)	0.084 (4)	0.201 (7)	0.032 (3)	−0.085 (5)	−0.057 (5)
Zn31	0.081 (2)	0.0313 (19)	0.102 (3)	0.0040 (13)	0.002 (2)	−0.0051 (18)
N308	0.052 (3)	0.038 (3)	0.082 (4)	0.001 (2)	−0.020 (3)	0.000 (3)
N306	0.057 (3)	0.044 (3)	0.065 (3)	−0.004 (3)	−0.013 (3)	−0.001 (3)
N309	0.061 (3)	0.036 (3)	0.084 (4)	−0.001 (2)	−0.010 (3)	−0.006 (3)
N310	0.061 (3)	0.034 (3)	0.083 (4)	0.006 (2)	−0.016 (3)	0.002 (3)
N307	0.059 (3)	0.041 (3)	0.075 (4)	−0.001 (2)	−0.018 (3)	−0.001 (3)
N303	0.064 (4)	0.045 (3)	0.081 (4)	0.001 (3)	−0.019 (3)	0.000 (3)
N302	0.065 (4)	0.047 (3)	0.068 (4)	0.002 (3)	−0.010 (3)	0.001 (3)
N305	0.065 (4)	0.058 (4)	0.098 (5)	−0.007 (3)	−0.023 (4)	0.007 (4)
N304	0.061 (3)	0.049 (3)	0.071 (4)	−0.006 (3)	−0.018 (3)	−0.002 (3)
N312	0.072 (4)	0.049 (4)	0.104 (5)	0.007 (3)	−0.035 (4)	−0.009 (3)
C308	0.063 (4)	0.045 (4)	0.068 (4)	−0.004 (3)	−0.013 (4)	−0.002 (3)
C316	0.059 (4)	0.047 (4)	0.070 (4)	−0.001 (3)	−0.014 (4)	−0.001 (3)
C309	0.056 (4)	0.037 (3)	0.087 (5)	0.000 (3)	−0.022 (4)	−0.005 (3)
N311	0.118 (7)	0.038 (3)	0.118 (6)	−0.009 (4)	0.024 (5)	0.004 (4)
C325	0.055 (4)	0.035 (3)	0.085 (5)	0.002 (3)	−0.007 (3)	0.000 (3)
C317	0.053 (4)	0.047 (4)	0.067 (4)	−0.004 (3)	−0.014 (3)	0.001 (3)
C318	0.059 (4)	0.044 (4)	0.063 (4)	0.000 (3)	−0.011 (3)	0.002 (3)
C324	0.054 (4)	0.036 (3)	0.081 (5)	0.002 (3)	−0.010 (3)	−0.003 (3)
C307	0.065 (4)	0.044 (4)	0.070 (4)	−0.001 (3)	−0.015 (4)	−0.003 (3)
C327	0.071 (5)	0.039 (4)	0.088 (5)	−0.003 (3)	0.000 (4)	0.005 (4)
C326	0.053 (4)	0.033 (3)	0.081 (5)	0.001 (3)	−0.013 (3)	0.000 (3)
C321	0.052 (4)	0.039 (3)	0.076 (4)	0.003 (3)	−0.016 (3)	−0.005 (3)
N301	0.138 (8)	0.043 (4)	0.115 (6)	0.011 (4)	0.044 (6)	−0.003 (4)
C306	0.065 (4)	0.052 (4)	0.070 (4)	0.005 (3)	−0.015 (4)	−0.001 (3)
C313	0.074 (5)	0.050 (4)	0.083 (6)	−0.008 (4)	−0.013 (4)	−0.003 (4)
C315	0.079 (5)	0.057 (4)	0.070 (5)	−0.009 (4)	0.007 (4)	−0.003 (4)
C303	0.077 (5)	0.046 (4)	0.082 (5)	0.007 (4)	0.001 (4)	0.000 (4)
C334	0.055 (4)	0.041 (3)	0.083 (5)	0.006 (3)	−0.018 (4)	−0.001 (3)
C335	0.075 (5)	0.045 (4)	0.090 (5)	0.012 (4)	−0.023 (4)	−0.009 (4)
C314	0.071 (5)	0.050 (4)	0.079 (5)	−0.012 (3)	0.008 (4)	−0.005 (4)
C312	0.071 (5)	0.046 (4)	0.092 (6)	−0.008 (4)	−0.020 (4)	0.002 (4)
C322	0.075 (5)	0.043 (4)	0.087 (5)	−0.005 (3)	−0.027 (4)	0.000 (4)
C323	0.086 (5)	0.041 (4)	0.086 (5)	−0.004 (4)	−0.026 (4)	0.001 (4)
C336	0.080 (5)	0.045 (4)	0.104 (6)	0.016 (4)	−0.040 (5)	−0.008 (4)
C333	0.072 (5)	0.037 (4)	0.122 (7)	0.001 (3)	−0.040 (5)	−0.001 (4)
C311	0.093 (7)	0.103 (8)	0.104 (8)	−0.044 (6)	−0.012 (6)	−0.035 (6)
C331	0.089 (6)	0.044 (4)	0.139 (9)	0.000 (4)	−0.028 (6)	0.014 (5)
C332	0.081 (6)	0.042 (4)	0.138 (8)	0.007 (4)	−0.057 (6)	−0.002 (5)
C330	0.096 (7)	0.051 (5)	0.168 (11)	0.011 (5)	0.005 (8)	0.042 (7)
C320	0.093 (6)	0.037 (4)	0.103 (6)	−0.004 (4)	−0.040 (5)	0.002 (4)
C304	0.120 (9)	0.064 (6)	0.107 (7)	−0.015 (6)	0.028 (7)	−0.019 (5)
C319	0.100 (6)	0.039 (4)	0.099 (6)	−0.002 (4)	−0.052 (5)	0.002 (4)
C310	0.100 (7)	0.090 (7)	0.085 (6)	−0.037 (6)	−0.012 (5)	−0.017 (5)
C328	0.149 (10)	0.039 (4)	0.111 (8)	−0.015 (5)	−0.028 (7)	0.003 (5)
C305	0.116 (9)	0.064 (6)	0.145 (10)	−0.011 (6)	0.048 (8)	−0.009 (6)
C329	0.180 (13)	0.044 (5)	0.114 (8)	−0.021 (6)	−0.016 (8)	0.003 (5)
C301	0.117 (9)	0.091 (8)	0.145 (11)	−0.030 (7)	0.045 (8)	−0.038 (8)
C302	0.111 (8)	0.084 (7)	0.124 (9)	−0.015 (6)	0.018 (7)	−0.051 (7)
I402	0.210 (4)	0.0657 (17)	0.340 (7)	−0.064 (3)	0.189 (5)	−0.088 (3)
Zn41	0.195 (7)	0.0344 (18)	0.149 (5)	0.018 (4)	0.097 (5)	0.006 (3)
I401	0.367 (7)	0.091 (2)	0.148 (3)	0.116 (3)	0.119 (3)	0.0586 (19)
I405	0.0563 (10)	0.0277 (11)	0.0997 (14)	−0.0014 (8)	−0.0289 (10)	−0.0027 (9)
Zn43	0.041 (2)	0.035 (2)	0.068 (3)	0.0066 (17)	−0.014 (2)	−0.006 (2)
I406	0.0591 (15)	0.0957 (14)	0.0647 (13)	0.0017 (11)	−0.0002 (10)	−0.0221 (12)
I404	0.147 (4)	0.131 (4)	0.133 (3)	0.053 (3)	−0.030 (2)	−0.010 (2)
Zn42	0.097 (5)	0.064 (5)	0.113 (6)	0.001 (4)	−0.048 (4)	−0.007 (4)
I403	0.157 (3)	0.0645 (19)	0.143 (3)	−0.0283 (16)	−0.054 (2)	0.0180 (15)
C808	0.111 (14)	0.150 (17)	0.057 (12)	−0.003 (15)	0.017 (12)	−0.004 (13)
C809	0.121 (17)	0.148 (17)	0.063 (12)	−0.005 (14)	0.031 (12)	−0.041 (12)
C810	0.129 (17)	0.123 (19)	0.129 (19)	0.025 (15)	0.051 (16)	−0.001 (15)
C811	0.116 (16)	0.122 (16)	0.117 (19)	0.018 (15)	0.038 (15)	0.014 (15)
C812	0.101 (16)	0.117 (16)	0.072 (12)	0.007 (13)	0.026 (12)	0.003 (12)
C807	0.110 (14)	0.143 (19)	0.075 (13)	−0.004 (14)	0.019 (12)	0.016 (14)
C806	0.096 (16)	0.139 (16)	0.110 (13)	0.010 (15)	0.031 (13)	−0.011 (14)
C805	0.116 (18)	0.16 (2)	0.121 (15)	0.004 (17)	0.014 (15)	−0.039 (15)
C804	0.103 (18)	0.19 (2)	0.114 (15)	0.017 (18)	0.011 (14)	−0.048 (17)
C803	0.105 (18)	0.19 (2)	0.102 (13)	0.028 (18)	−0.008 (14)	−0.032 (16)
C802	0.113 (18)	0.17 (2)	0.092 (13)	0.024 (16)	−0.026 (13)	−0.035 (14)
C801	0.078 (13)	0.135 (16)	0.096 (13)	0.016 (14)	0.013 (11)	−0.013 (13)
C832	0.10 (2)	0.10 (2)	0.061 (14)	0.007 (17)	0.018 (14)	0.003 (14)
C831	0.086 (19)	0.14 (3)	0.065 (15)	0.03 (2)	0.034 (15)	0.005 (18)
C833	0.09 (2)	0.19 (4)	0.080 (19)	0.03 (2)	0.025 (17)	0.02 (2)
C819	0.14 (2)	0.13 (3)	0.062 (14)	−0.01 (2)	−0.009 (14)	−0.023 (15)
C824	0.104 (18)	0.16 (3)	0.069 (14)	0.003 (19)	0.001 (11)	−0.021 (17)
C823	0.122 (18)	0.16 (3)	0.100 (17)	0.01 (2)	0.030 (14)	−0.015 (19)
C822	0.13 (2)	0.14 (3)	0.106 (18)	0.01 (2)	0.028 (16)	−0.018 (17)
C821	0.17 (2)	0.10 (2)	0.091 (16)	0.001 (19)	0.028 (13)	−0.031 (15)
C820	0.143 (19)	0.10 (2)	0.075 (14)	−0.009 (17)	−0.005 (13)	−0.022 (14)
C813	0.068 (16)	0.12 (2)	0.17 (2)	−0.052 (15)	0.000 (18)	−0.02 (2)
C818	0.063 (17)	0.14 (2)	0.17 (2)	−0.027 (17)	−0.006 (19)	−0.04 (2)
C817	0.079 (19)	0.15 (3)	0.20 (3)	−0.01 (2)	−0.02 (2)	−0.05 (2)
C816	0.076 (18)	0.15 (3)	0.20 (3)	−0.018 (18)	−0.02 (2)	−0.02 (2)
C815	0.077 (19)	0.13 (2)	0.20 (3)	−0.040 (17)	0.00 (2)	−0.01 (2)
C814	0.079 (17)	0.12 (2)	0.19 (3)	−0.050 (18)	0.005 (19)	0.00 (2)
C829	0.14 (2)	0.11 (2)	0.16 (3)	0.012 (19)	0.09 (2)	0.02 (2)
C830	0.13 (2)	0.11 (2)	0.14 (3)	−0.004 (18)	0.05 (2)	−0.01 (2)
C825	0.13 (2)	0.09 (2)	0.11 (2)	−0.018 (17)	0.039 (19)	−0.022 (17)
C826	0.14 (2)	0.082 (19)	0.11 (3)	−0.001 (17)	0.04 (2)	−0.031 (19)
C827	0.16 (2)	0.092 (19)	0.16 (3)	0.007 (18)	0.06 (2)	−0.01 (2)
C828	0.15 (3)	0.12 (2)	0.17 (3)	0.00 (2)	0.06 (2)	0.01 (2)

Geometric parameters (Å, º)

I303—Zn32	2.536 (4)	I502—Zn51	2.42 (4)
I304—Zn32	2.538 (3)	I501—Zn51	2.68 (4)
I305—Zn33	2.524 (7)	I505—Zn53	2.53 (9)
I306—Zn33	2.525 (8)	Zn53—I506	2.59 (7)
Zn32—N306	2.082 (7)	I404—Zn42	2.501 (9)
Zn32—N307	2.107 (7)	Zn42—I403	2.524 (9)
I301—Zn31	2.531 (7)	C808—H80A	0.9900
I302—Zn31	2.521 (7)	C808—H80B	0.9900
Zn33—N305^i	2.021 (10)	C808—C809	1.518 (12)
Zn33—N312	2.059 (8)	C808—C807	1.532 (13)
Zn31—N311^ii	2.129 (12)	C809—H80C	0.9900
Zn31—N301	2.085 (12)	C809—H80D	0.9900
N308—C324	1.319 (9)	C809—C810	1.524 (12)
N308—C326	1.338 (9)	C810—H81A	0.9900
N306—C318	1.345 (10)	C810—H81B	0.9900
N306—C314	1.308 (11)	C810—C811	1.517 (13)
N306—Zn42	2.065 (10)	C811—H81C	0.9900
N309—C325	1.318 (9)	C811—H81D	0.9900
N309—C324	1.331 (9)	C811—C812	1.532 (13)
N310—C325	1.332 (9)	C812—H81E	0.9900
N310—C326	1.343 (9)	C812—H81F	0.9900
N307—C323	1.323 (9)	C812—C807	1.530 (12)
N307—C319	1.310 (10)	C807—H80E	0.9900
N307—Zn42	2.061 (9)	C807—H80F	0.9900
N303—C307	1.329 (11)	C806—H80G	0.9900
N303—C306	1.336 (11)	C806—H80H	0.9900
N302—C308	1.315 (11)	C806—C805	1.525 (13)
N302—C306	1.330 (10)	C806—C801	1.537 (13)
N305—C312	1.297 (11)	C805—H80I	0.9900
N305—C311	1.306 (15)	C805—H80J	0.9900
N305—Zn43^iii	2.133 (10)	C805—C804	1.528 (13)
N305—Zn53^iii	2.00 (9)	C804—H80K	0.9900
N304—C308	1.343 (10)	C804—H80L	0.9900
N304—C307	1.326 (10)	C804—C803	1.541 (13)
N312—C336	1.294 (11)	C803—H80M	0.9900
N312—C332	1.333 (11)	C803—H80N	0.9900
N312—Zn43	2.074 (9)	C803—C802	1.536 (13)
N312—Zn53	2.06 (9)	C802—H80O	0.9900
C308—C316	1.488 (10)	C802—H80P	0.9900
C316—C317	1.384 (12)	C802—C801	1.537 (12)
C316—C315	1.400 (11)	C801—H80Q	0.9900
C309—C307	1.501 (11)	C801—H80R	0.9900
C309—C313	1.320 (13)	C832—H83C	0.9900
C309—C310	1.376 (12)	C832—H83D	0.9900
N311—C330	1.331 (15)	C832—C831	1.43 (5)
N311—C329	1.302 (15)	C832—C833	1.53 (4)
N311—Zn41^iv	2.062 (10)	C831—H83E	0.9900
N311—Zn51^iv	2.19 (4)	C831—H83F	0.9900
C325—C327	1.496 (10)	C831—C833^v	1.42 (5)
C317—H317	0.9500	C833—H83G	0.9900
C317—C318	1.371 (10)	C833—H83H	0.9900
C318—H318	0.9500	C819—H81G	0.9900
C324—C321	1.471 (10)	C819—H81H	0.9900
C327—C331	1.370 (12)	C819—C824	1.525 (13)
C327—C328	1.352 (13)	C819—C820	1.523 (13)
C326—C334	1.496 (9)	C824—H82A	0.9900
C321—C322	1.378 (10)	C824—H82B	0.9900
C321—C320	1.391 (10)	C824—C823	1.529 (13)
N301—C305	1.355 (15)	C823—H82C	0.9900
N301—C301	1.324 (15)	C823—H82D	0.9900
N301—Zn41	2.078 (11)	C823—C822	1.532 (13)
N301—Zn51	2.19 (4)	C822—H82E	0.9900
C306—C303	1.457 (13)	C822—H82F	0.9900
C313—H313	0.9500	C822—C821	1.523 (13)
C313—C312	1.397 (12)	C821—H82G	0.9900
C315—H315	0.9500	C821—H82H	0.9900
C315—C314	1.376 (11)	C821—C820	1.527 (13)
C303—C304	1.347 (14)	C820—H82I	0.9900
C303—C302	1.378 (13)	C820—H82J	0.9900
C334—C335	1.368 (10)	C813—H81I	0.9900
C334—C333	1.372 (11)	C813—H81J	0.9900
C335—H335	0.9500	C813—C818	1.535 (13)
C335—C336	1.379 (11)	C813—C814	1.525 (13)
C314—H314	0.9500	C818—H81K	0.9900
C312—H312	0.9500	C818—H81L	0.9900
C322—H322	0.9500	C818—C817	1.532 (13)
C322—C323	1.389 (11)	C817—H81M	0.9900
C323—H323	0.9500	C817—H81N	0.9900
C336—H336	0.9500	C817—C816	1.529 (13)
C333—H333	0.9500	C816—H81O	0.9900
C333—C332	1.379 (11)	C816—H81P	0.9900
C311—H311	0.9500	C816—C815	1.532 (13)
C311—C310	1.383 (15)	C815—H81Q	0.9900
C311—Zn53^iii	2.39 (9)	C815—H81R	0.9900
C331—H331	0.9500	C815—C814	1.527 (13)
C331—C330	1.373 (14)	C814—H81S	0.9900
C332—H332	0.9500	C814—H81T	0.9900
C330—H330	0.9500	C829—H82K	0.9900
C330—Zn51^iv	2.59 (4)	C829—H82L	0.9900
C320—H320	0.9500	C829—C830	1.542 (13)
C320—C319	1.344 (11)	C829—C828	1.544 (13)
C304—H304	0.9500	C830—H83A	0.9900
C304—C305	1.373 (16)	C830—H83B	0.9900
C319—H319	0.9500	C830—C825	1.538 (13)
C310—H310	0.9500	C825—H82M	0.9900
C328—H328	0.9500	C825—H82N	0.9900
C328—C329	1.388 (13)	C825—C826	1.541 (13)
C305—H305	0.9500	C826—H82O	0.9900
C329—H329	0.9500	C826—H82P	0.9900
C301—H301	0.9500	C826—C827	1.538 (13)
C301—C302	1.358 (17)	C827—H82Q	0.9900
C302—H302	0.9500	C827—H82R	0.9900
I402—Zn41	2.512 (8)	C827—C828	1.546 (13)
Zn41—I401	2.533 (8)	C828—H82S	0.9900
I405—Zn43	2.546 (5)	C828—H82T	0.9900
Zn43—I406	2.524 (5)
I303—Zn32—I304	127.69 (15)	C311^i—Zn53—I506	113 (3)
N306—Zn32—I303	107.8 (2)	I505—Zn53—I506	120 (4)
N306—Zn32—I304	107.7 (2)	N306—Zn42—I404	107.2 (4)
N306—Zn32—N307	96.8 (3)	N306—Zn42—I403	107.7 (4)
N307—Zn32—I303	108.9 (2)	N307—Zn42—N306	98.8 (4)
N307—Zn32—I304	103.5 (2)	N307—Zn42—I404	109.2 (4)
I305—Zn33—I306	126.8 (3)	N307—Zn42—I403	103.3 (4)
N305^i—Zn33—I305	108.4 (4)	I404—Zn42—I403	127.1 (4)
N305^i—Zn33—I306	106.0 (4)	H80A—C808—H80B	108.4
N305^i—Zn33—N312	102.7 (4)	C809—C808—H80A	110.1
N312—Zn33—I305	107.6 (4)	C809—C808—H80B	110.1
N312—Zn33—I306	103.0 (4)	C809—C808—C807	108.2 (16)
I302—Zn31—I301	123.3 (4)	C807—C808—H80A	110.1
N311^ii—Zn31—I301	109.8 (4)	C807—C808—H80B	110.1
N311^ii—Zn31—I302	107.9 (4)	C808—C809—H80C	108.8
N301—Zn31—I301	111.3 (4)	C808—C809—H80D	108.8
N301—Zn31—I302	101.9 (4)	C808—C809—C810	113.7 (14)
N301—Zn31—N311^ii	100.0 (5)	H80C—C809—H80D	107.7
C324—N308—C326	114.9 (6)	C810—C809—H80C	108.8
C318—N306—Zn32	122.8 (6)	C810—C809—H80D	108.8
C318—N306—Zn42	120.1 (6)	C809—C810—H81A	108.9
C314—N306—Zn32	117.9 (5)	C809—C810—H81B	108.9
C314—N306—C318	118.5 (6)	H81A—C810—H81B	107.7
C314—N306—Zn42	120.4 (5)	C811—C810—C809	113.4 (16)
C325—N309—C324	115.2 (6)	C811—C810—H81A	108.9
C325—N310—C326	113.1 (6)	C811—C810—H81B	108.9
C323—N307—Zn32	118.6 (5)	C810—C811—H81C	109.7
C323—N307—Zn42	119.9 (5)	C810—C811—H81D	109.7
C319—N307—Zn32	122.8 (5)	C810—C811—C812	110.0 (15)
C319—N307—C323	118.1 (6)	H81C—C811—H81D	108.2
C319—N307—Zn42	121.1 (5)	C812—C811—H81C	109.7
C307—N303—C306	114.9 (7)	C812—C811—H81D	109.7
C308—N302—C306	115.7 (7)	C811—C812—H81E	109.4
Zn33^iii—N305—Zn43^iii	4.2 (3)	C811—C812—H81F	109.4
C312—N305—Zn33^iii	125.7 (8)	H81E—C812—H81F	108.0
C312—N305—C311	117.8 (8)	C807—C812—C811	111.3 (15)
C312—N305—Zn43^iii	121.7 (8)	C807—C812—H81E	109.4
C312—N305—Zn53^iii	152 (2)	C807—C812—H81F	109.4
C311—N305—Zn33^iii	116.4 (6)	C808—C807—H80E	109.5
C311—N305—Zn43^iii	120.4 (6)	C808—C807—H80F	109.5
C311—N305—Zn53^iii	91 (2)	C812—C807—C808	110.9 (14)
C307—N304—C308	113.5 (8)	C812—C807—H80E	109.5
C336—N312—Zn33	120.4 (6)	C812—C807—H80F	109.5
C336—N312—C332	117.8 (7)	H80E—C807—H80F	108.1
C336—N312—Zn43	119.5 (6)	H80G—C806—H80H	108.1
C336—N312—Zn53	128 (3)	C805—C806—H80G	109.5
C332—N312—Zn33	121.8 (6)	C805—C806—H80H	109.5
C332—N312—Zn43	122.5 (6)	C805—C806—C801	110.8 (16)
C332—N312—Zn53	108 (2)	C801—C806—H80G	109.5
N302—C308—N304	125.6 (7)	C801—C806—H80H	109.5
N302—C308—C316	117.0 (7)	C806—C805—H80I	109.1
N304—C308—C316	117.4 (8)	C806—C805—H80J	109.1
C317—C316—C308	122.3 (7)	C806—C805—C804	112.5 (16)
C317—C316—C315	118.3 (7)	H80I—C805—H80J	107.8
C315—C316—C308	119.4 (8)	C804—C805—H80I	109.1
C313—C309—C307	121.0 (7)	C804—C805—H80J	109.1
C313—C309—C310	119.0 (8)	C805—C804—H80K	109.6
C310—C309—C307	119.9 (9)	C805—C804—H80L	109.6
Zn31^iv—N311—Zn51^iv	37.7 (9)	C805—C804—C803	110.1 (16)
C330—N311—Zn31^iv	129.0 (7)	H80K—C804—H80L	108.2
C330—N311—Zn41^iv	116.5 (7)	C803—C804—H80K	109.6
C330—N311—Zn51^iv	91.4 (11)	C803—C804—H80L	109.6
C329—N311—Zn31^iv	113.0 (8)	C804—C803—H80M	110.2
C329—N311—C330	118.0 (8)	C804—C803—H80N	110.2
C329—N311—Zn41^iv	125.5 (8)	H80M—C803—H80N	108.5
C329—N311—Zn51^iv	150.6 (12)	C802—C803—C804	107.5 (16)
N309—C325—N310	126.3 (6)	C802—C803—H80M	110.2
N309—C325—C327	116.5 (6)	C802—C803—H80N	110.2
N310—C325—C327	117.1 (6)	C803—C802—H80O	109.8
C316—C317—H317	120.5	C803—C802—H80P	109.8
C318—C317—C316	119.0 (7)	C803—C802—C801	109.5 (15)
C318—C317—H317	120.5	H80O—C802—H80P	108.2
N306—C318—C317	122.4 (8)	C801—C802—H80O	109.8
N306—C318—H318	118.8	C801—C802—H80P	109.8
C317—C318—H318	118.8	C806—C801—H80Q	109.6
N308—C324—N309	124.7 (6)	C806—C801—H80R	109.6
N308—C324—C321	118.6 (6)	C802—C801—C806	110.5 (15)
N309—C324—C321	116.6 (6)	C802—C801—H80Q	109.6
N303—C307—C309	116.9 (7)	C802—C801—H80R	109.6
N304—C307—N303	126.1 (7)	H80Q—C801—H80R	108.1
N304—C307—C309	116.9 (8)	H83C—C832—H83D	108.3
C331—C327—C325	124.1 (8)	C831—C832—H83C	109.9
C328—C327—C325	119.4 (7)	C831—C832—H83D	109.9
C328—C327—C331	116.4 (8)	C831—C832—C833	109 (3)
N308—C326—N310	125.4 (6)	C833—C832—H83C	109.9
N308—C326—C334	117.1 (6)	C833—C832—H83D	109.9
N310—C326—C334	117.4 (6)	C832—C831—H83E	109.4
C322—C321—C324	122.5 (6)	C832—C831—H83F	109.4
C322—C321—C320	115.9 (7)	H83E—C831—H83F	108.0
C320—C321—C324	121.5 (6)	C833^v—C831—C832	111 (4)
C305—N301—Zn31	124.7 (8)	C833^v—C831—H83E	109.4
C305—N301—Zn41	115.9 (8)	C833^v—C831—H83F	109.4
C305—N301—Zn51	98.6 (12)	C832—C833—H83G	109.3
C301—N301—Zn31	116.6 (8)	C832—C833—H83H	109.3
C301—N301—C305	118.0 (10)	C831^v—C833—C832	112 (3)
C301—N301—Zn41	126.0 (8)	C831^v—C833—H83G	109.3
C301—N301—Zn51	138.1 (12)	C831^v—C833—H83H	109.3
N303—C306—C303	119.0 (7)	H83G—C833—H83H	107.9
N302—C306—N303	124.1 (8)	H81G—C819—H81H	107.6
N302—C306—C303	116.9 (8)	C824—C819—H81G	108.7
C309—C313—H313	120.4	C824—C819—H81H	108.7
C309—C313—C312	119.3 (8)	C820—C819—H81G	108.7
C312—C313—H313	120.4	C820—C819—H81H	108.7
C316—C315—H315	120.9	C820—C819—C824	114.4 (19)
C314—C315—C316	118.2 (8)	C819—C824—H82A	108.9
C314—C315—H315	120.9	C819—C824—H82B	108.9
C304—C303—C306	120.4 (8)	C819—C824—C823	113.6 (18)
C304—C303—C302	117.4 (10)	H82A—C824—H82B	107.7
C302—C303—C306	122.2 (9)	C823—C824—H82A	108.9
C335—C334—C326	121.6 (7)	C823—C824—H82B	108.9
C335—C334—C333	118.6 (7)	C824—C823—H82C	109.3
C333—C334—C326	119.8 (6)	C824—C823—H82D	109.3
C334—C335—H335	120.9	C824—C823—C822	111.8 (18)
C334—C335—C336	118.2 (7)	H82C—C823—H82D	107.9
C336—C335—H335	120.9	C822—C823—H82C	109.3
N306—C314—C315	123.5 (8)	C822—C823—H82D	109.3
N306—C314—H314	118.2	C823—C822—H82E	109.1
C315—C314—H314	118.2	C823—C822—H82F	109.1
N305—C312—C313	122.8 (10)	H82E—C822—H82F	107.9
N305—C312—H312	118.6	C821—C822—C823	112.4 (18)
C313—C312—H312	118.6	C821—C822—H82E	109.1
C321—C322—H322	119.9	C821—C822—H82F	109.1
C321—C322—C323	120.2 (7)	C822—C821—H82G	109.0
C323—C322—H322	119.9	C822—C821—H82H	109.0
N307—C323—C322	121.4 (7)	C822—C821—C820	113.1 (17)
N307—C323—H323	119.3	H82G—C821—H82H	107.8
C322—C323—H323	119.3	C820—C821—H82G	109.0
N312—C336—C335	124.1 (7)	C820—C821—H82H	109.0
N312—C336—H336	117.9	C819—C820—C821	112.4 (17)
C335—C336—H336	117.9	C819—C820—H82I	109.1
C334—C333—H333	120.6	C819—C820—H82J	109.1
C334—C333—C332	118.8 (7)	C821—C820—H82I	109.1
C332—C333—H333	120.6	C821—C820—H82J	109.1
N305—C311—H311	118.4	H82I—C820—H82J	107.9
N305—C311—C310	123.2 (9)	H81I—C813—H81J	107.8
N305—C311—Zn53^iii	56.4 (18)	C818—C813—H81I	108.9
C310—C311—H311	118.4	C818—C813—H81J	108.9
C310—C311—Zn53^iii	179 (2)	C814—C813—H81I	108.9
C327—C331—H331	119.6	C814—C813—H81J	108.9
C327—C331—C330	120.9 (10)	C814—C813—C818	113.2 (18)
C330—C331—H331	119.6	C813—C818—H81K	109.4
N312—C332—C333	122.4 (8)	C813—C818—H81L	109.4
N312—C332—H332	118.8	H81K—C818—H81L	108.0
C333—C332—H332	118.8	C817—C818—C813	111.1 (17)
N311—C330—C331	121.6 (10)	C817—C818—H81K	109.4
N311—C330—H330	119.2	C817—C818—H81L	109.4
N311—C330—Zn51^iv	57.8 (9)	C818—C817—H81M	109.6
C331—C330—H330	119.2	C818—C817—H81N	109.6
C331—C330—Zn51^iv	177.9 (13)	H81M—C817—H81N	108.2
Zn51^iv—C330—H330	61.5	C816—C817—C818	110.1 (17)
C321—C320—H320	120.1	C816—C817—H81M	109.6
C319—C320—C321	119.8 (7)	C816—C817—H81N	109.6
C319—C320—H320	120.1	C817—C816—H81O	109.4
C303—C304—H304	119.7	C817—C816—H81P	109.4
C303—C304—C305	120.6 (10)	C817—C816—C815	111.1 (18)
C305—C304—H304	119.7	H81O—C816—H81P	108.0
N307—C319—C320	124.2 (7)	C815—C816—H81O	109.4
N307—C319—H319	117.9	C815—C816—H81P	109.4
C320—C319—H319	117.9	C816—C815—H81Q	109.0
C309—C310—C311	117.9 (11)	C816—C815—H81R	109.0
C309—C310—H310	121.1	H81Q—C815—H81R	107.8
C311—C310—H310	121.1	C814—C815—C816	113.0 (17)
C327—C328—H328	119.8	C814—C815—H81Q	109.0
C327—C328—C329	120.3 (10)	C814—C815—H81R	109.0
C329—C328—H328	119.8	C813—C814—C815	111.5 (16)
N301—C305—C304	121.2 (11)	C813—C814—H81S	109.3
N301—C305—H305	119.4	C813—C814—H81T	109.3
C304—C305—H305	119.4	C815—C814—H81S	109.3
N311—C329—C328	122.7 (11)	C815—C814—H81T	109.3
N311—C329—H329	118.7	H81S—C814—H81T	108.0
C328—C329—H329	118.7	H82K—C829—H82L	108.2
N301—C301—H301	119.0	C830—C829—H82K	109.8
N301—C301—C302	122.0 (11)	C830—C829—H82L	109.8
C302—C301—H301	119.0	C830—C829—C828	109 (2)
C303—C302—H302	119.7	C828—C829—H82K	109.8
C301—C302—C303	120.6 (11)	C828—C829—H82L	109.8
C301—C302—H302	119.7	C829—C830—H83A	109.7
N311^ii—Zn41—N301	102.4 (4)	C829—C830—H83B	109.7
N311^ii—Zn41—I402	114.3 (4)	H83A—C830—H83B	108.2
N311^ii—Zn41—I401	102.3 (4)	C825—C830—C829	109.6 (17)
N301—Zn41—I402	110.2 (4)	C825—C830—H83A	109.7
N301—Zn41—I401	102.2 (4)	C825—C830—H83B	109.7
I402—Zn41—I401	122.9 (3)	C830—C825—H82M	109.3
N305^i—Zn43—I405	104.5 (3)	C830—C825—H82N	109.3
N305^i—Zn43—I406	107.6 (3)	C830—C825—C826	111.5 (18)
N312—Zn43—N305^i	98.4 (4)	H82M—C825—H82N	108.0
N312—Zn43—I405	105.8 (3)	C826—C825—H82M	109.3
N312—Zn43—I406	105.9 (3)	C826—C825—H82N	109.3
I406—Zn43—I405	130.3 (3)	C825—C826—H82O	109.5
N311^ii—Zn51—N301	94.7 (14)	C825—C826—H82P	109.5
N311^ii—Zn51—C330^ii	30.9 (6)	H82O—C826—H82P	108.0
N311^ii—Zn51—I502	128.2 (17)	C827—C826—C825	110.9 (18)
N311^ii—Zn51—I501	89.9 (12)	C827—C826—H82O	109.5
N301—Zn51—C330^ii	107.2 (15)	C827—C826—H82P	109.5
N301—Zn51—I502	126.4 (16)	C826—C827—H82Q	109.9
N301—Zn51—I501	90.6 (12)	C826—C827—H82R	109.9
C330^ii—Zn51—I501	117.2 (13)	C826—C827—C828	108.9 (18)
I502—Zn51—I501	116.3 (15)	H82Q—C827—H82R	108.3
N305^i—Zn53—N312	104 (4)	C828—C827—H82Q	109.9
N305^i—Zn53—C311^i	33.0 (15)	C828—C827—H82R	109.9
N305^i—Zn53—I505	133 (4)	C829—C828—C827	109.2 (18)
N305^i—Zn53—I506	80 (3)	C829—C828—H82S	109.8
N312—Zn53—C311^i	105 (4)	C829—C828—H82T	109.8
N312—Zn53—I505	120 (4)	C827—C828—H82S	109.8
N312—Zn53—I506	82 (3)	C827—C828—H82T	109.8
C311^i—Zn53—I505	113 (3)	H82S—C828—H82T	108.3
Zn32—N306—C318—C317	166.0 (5)	C313—C309—C310—C311	2.9 (15)
Zn32—N306—C314—C315	−166.6 (7)	C315—C316—C317—C318	1.6 (10)
Zn32—N307—C323—C322	−170.2 (8)	C303—C304—C305—N301	−4.4 (19)
Zn32—N307—C319—C320	169.5 (9)	C334—C335—C336—N312	−1.1 (17)
Zn33^iii—N305—C312—C313	176.2 (7)	C334—C333—C332—N312	0.7 (19)
Zn33^iii—N305—C311—C310	−176.0 (10)	C335—C334—C333—C332	0.6 (16)
Zn33—N312—C336—C335	−179.7 (9)	C314—N306—C318—C317	−4.0 (10)
Zn33—N312—C332—C333	179.9 (10)	C312—N305—C311—C310	1.6 (17)
Zn31^iv—N311—C330—C331	176.9 (10)	C312—N305—C311—Zn53^iii	−178 (3)
Zn31^iv—N311—C329—C328	−178.7 (13)	C322—C321—C320—C319	7.6 (16)
Zn31—N301—C305—C304	−166.9 (10)	C323—N307—C319—C320	−2.1 (17)
Zn31—N301—C301—C302	169.0 (12)	C336—N312—C332—C333	−2.2 (18)
N308—C324—C321—C322	3.4 (13)	C333—C334—C335—C336	−0.5 (15)
N308—C324—C321—C320	−173.7 (9)	C311—N305—C312—C313	−1.2 (13)
N308—C326—C334—C335	172.7 (9)	C331—C327—C328—C329	−2 (2)
N308—C326—C334—C333	−5.7 (13)	C332—N312—C336—C335	2.4 (18)
N309—C325—C327—C331	178.5 (10)	C330—N311—C329—C328	1 (2)
N309—C325—C327—C328	−3.3 (14)	C320—C321—C322—C323	−7.9 (14)
N309—C324—C321—C322	−177.6 (9)	C304—C303—C302—C301	−1.9 (18)
N309—C324—C321—C320	5.2 (13)	C319—N307—C323—C322	1.8 (15)
N310—C325—C327—C331	−5.4 (14)	C310—C309—C307—N303	28.5 (11)
N310—C325—C327—C328	172.8 (10)	C310—C309—C307—N304	−149.3 (8)
N310—C326—C334—C335	−4.6 (13)	C310—C309—C313—C312	−2.6 (13)
N310—C326—C334—C333	176.9 (9)	C328—C327—C331—C330	0.5 (18)
N303—C306—C303—C304	165.1 (9)	C305—N301—C301—C302	−2 (2)
N303—C306—C303—C302	−15.4 (13)	C329—N311—C330—C331	−3 (2)
N302—C308—C316—C317	176.3 (6)	C329—N311—C330—Zn51^iv	179.8 (16)
N302—C308—C316—C315	−1.8 (10)	C301—N301—C305—C304	3.8 (18)
N302—C306—C303—C304	−12.7 (12)	C302—C303—C304—C305	3.3 (17)
N302—C306—C303—C302	166.8 (9)	Zn41^iv—N311—C330—C331	179.3 (10)
N305—C311—C310—C309	−2.5 (19)	Zn41^iv—N311—C329—C328	178.8 (12)
N304—C308—C316—C317	−3.5 (10)	Zn41—N301—C305—C304	−177.9 (10)
N304—C308—C316—C315	178.4 (7)	Zn41—N301—C301—C302	179.4 (11)
C308—N302—C306—N303	0.9 (10)	Zn43^iii—N305—C312—C313	175.1 (6)
C308—N302—C306—C303	178.5 (6)	Zn43^iii—N305—C311—C310	−174.8 (10)
C308—N304—C307—N303	−2.2 (10)	Zn43—N312—C336—C335	−173.8 (9)
C308—N304—C307—C309	175.4 (6)	Zn43—N312—C332—C333	173.8 (10)
C308—C316—C317—C318	−176.5 (6)	Zn51^iv—N311—C330—C331	177.7 (15)
C308—C316—C315—C314	176.4 (7)	Zn51^iv—N311—C329—C328	−180 (2)
C316—C317—C318—N306	1.2 (10)	Zn51—N301—C305—C304	162.9 (14)
C316—C315—C314—N306	−1.0 (13)	Zn51—N301—C301—C302	−150.5 (17)
C309—C313—C312—N305	1.8 (13)	Zn53^iii—N305—C312—C313	−177 (6)
C325—N309—C324—N308	1.0 (13)	Zn53^iii—N305—C311—C310	180 (3)
C325—N309—C324—C321	−177.9 (7)	Zn53—N312—C336—C335	151 (3)
C325—N310—C326—N308	4.2 (12)	Zn53—N312—C332—C333	−156 (3)
C325—N310—C326—C334	−178.7 (7)	Zn42—N306—C318—C317	164.6 (6)
C325—C327—C331—C330	178.7 (11)	Zn42—N306—C314—C315	−164.7 (7)
C325—C327—C328—C329	179.6 (12)	Zn42—N307—C323—C322	−167.4 (8)
C317—C316—C315—C314	−1.8 (11)	Zn42—N307—C319—C320	167.0 (10)
C318—N306—C314—C315	3.8 (12)	C808—C809—C810—C811	52 (4)
C324—N308—C326—N310	−5.5 (12)	C809—C808—C807—C812	58 (3)
C324—N308—C326—C334	177.4 (7)	C809—C810—C811—C812	−51 (4)
C324—N309—C325—N310	−2.5 (13)	C810—C811—C812—C807	55 (3)
C324—N309—C325—C327	173.2 (8)	C811—C812—C807—C808	−60 (3)
C324—C321—C322—C323	174.8 (9)	C807—C808—C809—C810	−55 (3)
C324—C321—C320—C319	−175.1 (10)	C806—C805—C804—C803	57 (3)
C307—N303—C306—N302	0.4 (10)	C805—C806—C801—C802	54 (3)
C307—N303—C306—C303	−177.2 (6)	C805—C804—C803—C802	−61 (3)
C307—N304—C308—N302	3.6 (10)	C804—C803—C802—C801	63 (3)
C307—N304—C308—C316	−176.5 (6)	C803—C802—C801—C806	−61 (3)
C307—C309—C313—C312	−178.2 (7)	C801—C806—C805—C804	−53 (3)
C307—C309—C310—C311	178.6 (10)	C831—C832—C833—C831^v	57 (5)
C327—C331—C330—N311	2 (2)	C833—C832—C831—C833^v	−57 (4)
C327—C328—C329—N311	2 (2)	C819—C824—C823—C822	50 (5)
C326—N308—C324—N309	2.7 (12)	C824—C819—C820—C821	47 (5)
C326—N308—C324—C321	−178.4 (7)	C824—C823—C822—C821	−53 (4)
C326—N310—C325—N309	0.1 (13)	C823—C822—C821—C820	53 (4)
C326—N310—C325—C327	−175.6 (8)	C822—C821—C820—C819	−50 (4)
C326—C334—C335—C336	−179.0 (9)	C820—C819—C824—C823	−48 (5)
C326—C334—C333—C332	179.1 (10)	C813—C818—C817—C816	57 (4)
C321—C322—C323—N307	3.4 (16)	C818—C813—C814—C815	50 (4)
C321—C320—C319—N307	−2.8 (19)	C818—C817—C816—C815	−57 (4)
N301—C301—C302—C303	2 (2)	C817—C816—C815—C814	55 (4)
C306—N303—C307—N304	0.4 (10)	C816—C815—C814—C813	−51 (4)
C306—N303—C307—C309	−177.3 (6)	C814—C813—C818—C817	−54 (4)
C306—N302—C308—N304	−3.1 (10)	C829—C830—C825—C826	56 (4)
C306—N302—C308—C316	177.1 (6)	C830—C829—C828—C827	62 (4)
C306—C303—C304—C305	−177.3 (10)	C830—C825—C826—C827	−56 (4)
C306—C303—C302—C301	178.7 (12)	C825—C826—C827—C828	58 (4)
C313—C309—C307—N303	−156.0 (7)	C826—C827—C828—C829	−61 (4)
C313—C309—C307—N304	26.2 (10)	C828—C829—C830—C825	−59 (4)

Symmetry codes: (i) x−1/2, −y+3/2, z−1/2; (ii) x, −y+2, z+1/2; (iii) x+1/2, −y+3/2, z+1/2; (iv) x, −y+2, z−1/2; (v) −x+1/2, −y+1/2, −z+1.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (4_1_24c)

Crystal data

C108H72I18N36Zn9·0.734(C15H16O3)·1.444(C6H12)	F(000) = 18886
Mr = 5047.47	Dx = 1.395 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 78.299 (4) Å	Cell parameters from 7865 reflections
b = 14.9565 (3) Å	θ = 2.6–64.0°
c = 41.6827 (16) Å	µ = 19.43 mm^−1
β = 99.929 (4)°	T = 100 K
V = 48083 (3) Å^3	Block, light yellow
Z = 8	0.16 × 0.14 × 0.09 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	43690 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	26882 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.078
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.2°
profile data from ω–scans	h = −94→93
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −11→18
Tmin = 0.133, Tmax = 0.336	l = −50→49
151389 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.160	H-atom parameters constrained
wR(F^2) = 0.444	w = 1/[σ^2(Fo^2) + (0.1574P)^2 + 3867.7375P] where P = (Fo^2 + 2Fc^2)/3
S = 1.04	(Δ/σ)max = 0.007
43690 reflections	Δρmax = 1.72 e Å^−3
2145 parameters	Δρmin = −1.86 e Å^−3
1144 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). Multiple solvent molecules were located over two-fold symmetry sites or were determined to have a low occupancy, these were modelled isotropic to prevent over-expansion of thermal ellipsoids. During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I415	0.41402 (9)	0.5028 (5)	0.2429 (2)	0.0573 (12)	0.4455
I312	0.54829 (7)	0.1142 (5)	0.21324 (17)	0.0712 (16)	0.484
I301	0.89742 (3)	−0.02477 (11)	1.09087 (6)	0.0836 (6)	0.893 (2)
I311	0.60140 (9)	0.0318 (5)	0.2660 (2)	0.077 (2)	0.484
I318	0.37896 (4)	0.60108 (14)	−0.10105 (5)	0.0941 (8)	0.903 (2)
I314	0.55912 (3)	0.96305 (12)	0.34065 (6)	0.0881 (7)	0.8283
I302	0.89333 (4)	−0.10610 (12)	0.98774 (6)	0.0960 (7)	0.893 (2)
I317	0.43354 (4)	0.50127 (12)	−0.06622 (6)	0.1022 (9)	0.903 (2)
I313	0.55938 (3)	0.96721 (12)	0.44593 (5)	0.0886 (7)	0.8283
I416	0.36502 (7)	0.6554 (7)	0.2449 (2)	0.0711 (18)	0.4455
I303	0.74735 (12)	−0.4788 (6)	0.8974 (3)	0.092 (2)	0.4984
I307	0.73055 (8)	0.4908 (3)	0.75078 (12)	0.0743 (16)	0.569 (16)
I304	0.69783 (8)	−0.3365 (9)	0.9048 (3)	0.0893 (19)	0.4984
I308	0.72847 (11)	0.4155 (4)	0.64730 (12)	0.0926 (18)	0.569 (16)
I305	0.71745 (7)	−0.3881 (4)	0.55649 (15)	0.0905 (14)	0.5582
I306	0.77154 (13)	−0.4821 (6)	0.59934 (19)	0.110 (2)	0.5582
Zn36	0.57796 (15)	0.1458 (8)	0.2456 (2)	0.057 (3)	0.484
Zn39	0.41036 (7)	0.6212 (2)	−0.07566 (8)	0.0742 (12)	0.903 (2)
Zn48	0.39685 (15)	0.6462 (7)	0.2390 (3)	0.0763 (11)	0.4455
Zn37	0.54768 (6)	0.9061 (2)	0.39059 (10)	0.0722 (11)	0.8283
Zn32	0.72865 (10)	−0.3404 (6)	0.8953 (2)	0.065 (4)	0.4984
Zn31	0.88435 (6)	−0.1229 (2)	1.04302 (10)	0.0797 (11)	0.893 (2)
Zn33	0.74801 (14)	−0.3655 (8)	0.5862 (2)	0.085 (3)	0.5582
Zn34	0.71814 (10)	0.3963 (5)	0.7016 (2)	0.064 (2)	0.569 (16)
N327	0.4600 (3)	1.0363 (11)	0.3726 (4)	0.062 (5)
N324	0.5501 (3)	0.7647 (11)	0.3896 (4)	0.082 (6)
N315	0.6307 (3)	0.5273 (10)	0.6904 (4)	0.062 (5)
N336	0.4101 (3)	0.6884 (11)	−0.0322 (4)	0.084 (6)
N333	0.3951 (3)	0.9274 (10)	0.1018 (4)	0.077 (7)
N322	0.5586 (2)	0.4424 (10)	0.3657 (4)	0.056 (4)
N317	0.5897 (3)	0.7567 (11)	0.7229 (5)	0.067 (5)
N323	0.5743 (3)	0.2142 (11)	0.2873 (4)	0.081 (6)
N320	0.5565 (3)	0.4435 (9)	0.4225 (3)	0.063 (5)
N326	0.4574 (4)	0.9031 (11)	0.3419 (4)	0.082 (7)
N318	0.5789 (4)	0.2356 (11)	0.5893 (4)	0.075 (6)
N328	0.4316 (3)	0.9852 (10)	0.3475 (4)	0.078 (7)
N335	0.3871 (3)	1.2415 (12)	0.0550 (5)	0.078 (6)
N321	0.5642 (3)	0.3102 (9)	0.3974 (4)	0.061 (5)
N316	0.6023 (3)	0.4778 (12)	0.6658 (4)	0.068 (5)
N332	0.4022 (3)	0.7892 (12)	0.0804 (4)	0.083 (7)
N310	0.7278 (3)	−0.0687 (12)	0.7021 (4)	0.068 (5)
N314	0.6276 (3)	0.3957 (13)	0.6587 (4)	0.076 (6)
N325	0.5236 (3)	0.9213 (12)	0.3801 (6)	0.103 (9)
N311	0.7455 (4)	−0.2962 (11)	0.6302 (5)	0.093 (8)
N309	0.7325 (3)	−0.1936 (12)	0.7357 (4)	0.067 (5)
N319	0.5645 (3)	0.2198 (11)	0.5128 (4)	0.082 (7)
C357	0.5617 (3)	0.3108 (12)	0.4549 (4)	0.057 (5)
C343	0.6134 (3)	0.5352 (11)	0.6837 (5)	0.055 (5)
N330	0.4094 (3)	0.7332 (12)	0.2734 (5)	0.072 (6)
N302	0.7930 (3)	−0.1109 (14)	0.9983 (5)	0.083 (6)
N301	0.8573 (3)	−0.1085 (15)	1.0366 (5)	0.093 (6)
C388	0.4296 (4)	0.8494 (12)	0.3139 (5)	0.074 (8)
N312	0.7200 (3)	0.2588 (14)	0.7130 (5)	0.080 (6)
C370	0.5533 (3)	0.5827 (12)	0.3918 (5)	0.059 (5)
N334	0.3960 (3)	0.9150 (13)	0.0446 (5)	0.089 (7)
N308	0.7241 (3)	−0.0573 (12)	0.7591 (5)	0.074 (6)
C379	0.4432 (4)	1.0444 (14)	0.3655 (5)	0.067 (7)
C365	0.5760 (4)	0.1762 (14)	0.3160 (5)	0.078 (6)
H365	0.580500	0.117099	0.318596	0.094*
C360	0.5612 (3)	0.3585 (11)	0.4232 (4)	0.053 (5)
C364	0.5715 (4)	0.2209 (13)	0.3431 (5)	0.070 (6)
H364	0.572000	0.189586	0.363085	0.083*
C344	0.6109 (3)	0.4089 (14)	0.6541 (5)	0.062 (6)
N307	0.7293 (3)	−0.2735 (13)	0.8524 (5)	0.081 (6)
N306	0.7431 (3)	−0.2546 (13)	0.9288 (5)	0.080 (5)
C368	0.5535 (4)	0.7195 (13)	0.4178 (7)	0.091 (9)
H368	0.555148	0.752154	0.437609	0.109*
C321	0.7284 (3)	−0.1863 (13)	0.7916 (5)	0.067 (6)
C326	0.7240 (4)	−0.0247 (15)	0.7297 (5)	0.074 (7)
C349	0.5887 (3)	0.6394 (14)	0.6854 (6)	0.066 (6)
H349	0.582103	0.604393	0.668573	0.079*
C348	0.5807 (4)	0.7077 (15)	0.6973 (5)	0.070 (7)
H348	0.569044	0.722266	0.688451	0.084*
C345	0.6056 (4)	0.6167 (14)	0.6957 (4)	0.063 (6)
C381	0.4349 (4)	1.1259 (13)	0.3750 (6)	0.077 (8)
N331	0.3990 (3)	0.7128 (12)	0.1965 (5)	0.087 (6)
N313	0.6916 (3)	0.4144 (12)	0.6979 (6)	0.081 (5)
C355	0.5687 (4)	0.1854 (16)	0.4877 (4)	0.082 (8)
H355	0.572867	0.125756	0.489616	0.098*
N329	0.4209 (3)	1.2762 (15)	0.4002 (5)	0.075 (6)
C399	0.3912 (3)	1.0601 (12)	0.0672 (5)	0.062 (6)
N304	0.7688 (3)	−0.0243 (15)	1.0080 (5)	0.087 (7)
C397	0.3935 (4)	0.9634 (12)	0.0719 (5)	0.076 (8)
C363	0.5665 (4)	0.3059 (13)	0.3413 (5)	0.072 (6)
C362	0.5562 (4)	0.4829 (13)	0.3932 (5)	0.069 (7)
C354	0.5730 (4)	0.2784 (14)	0.6119 (6)	0.072 (7)
H354	0.561186	0.270222	0.613994	0.087*
C327	0.7369 (3)	−0.2050 (12)	0.6821 (5)	0.066 (6)
C375	0.4856 (4)	0.9509 (16)	0.3688 (6)	0.082 (8)
C380	0.4397 (4)	0.9144 (13)	0.3358 (5)	0.061 (6)
C353	0.5831 (4)	0.3358 (12)	0.6333 (5)	0.071 (7)
H353	0.577963	0.367582	0.648866	0.085*
N303	0.7974 (4)	0.0197 (12)	1.0302 (5)	0.081 (6)
C332	0.7208 (4)	0.2269 (15)	0.7432 (8)	0.093 (9)
H332	0.721074	0.267757	0.760709	0.111*
C393	0.3992 (4)	0.7991 (13)	0.1364 (5)	0.078 (6)
C308	0.7760 (4)	−0.0891 (17)	0.9939 (5)	0.071 (6)
C406	0.4039 (4)	0.7787 (14)	0.0225 (5)	0.083 (7)
C303	0.8221 (5)	−0.072 (2)	1.0246 (8)	0.108 (8)
O3A	0.5417 (4)	0.4305 (15)	0.6928 (6)	0.074 (7)	0.6217
C390	0.4032 (4)	0.7988 (15)	0.2858 (5)	0.085 (9)
H390	0.391053	0.806935	0.280547	0.102*
C389	0.4123 (4)	0.8602 (15)	0.3063 (5)	0.073 (7)
H389	0.406614	0.908620	0.314799	0.088*
C372	0.5484 (4)	0.7210 (15)	0.3627 (5)	0.082 (8)
H372	0.546064	0.753458	0.342788	0.099*
C342	0.6366 (4)	0.4546 (12)	0.6776 (4)	0.067 (7)
C306	0.8028 (4)	−0.0535 (18)	1.0169 (6)	0.076 (7)
C378	0.4667 (4)	0.9678 (16)	0.3592 (6)	0.080 (8)
C371	0.5497 (4)	0.6279 (13)	0.3613 (6)	0.075 (7)
H371	0.548300	0.596650	0.341154	0.090*
C361	0.5627 (3)	0.3539 (12)	0.3695 (5)	0.063 (6)
C316	0.7645 (4)	−0.1493 (15)	0.9724 (6)	0.074 (6)
C404	0.4086 (4)	0.6446 (15)	−0.0044 (5)	0.081 (6)
H404	0.409335	0.581216	−0.004228	0.097*
C395	0.4036 (4)	0.6703 (15)	0.1700 (5)	0.085 (7)
H395	0.407677	0.610394	0.172651	0.102*
C398	0.4001 (3)	0.8283 (13)	0.0517 (5)	0.067 (6)
C324	0.7281 (3)	−0.1419 (16)	0.7612 (5)	0.068 (6)
C325	0.7324 (3)	−0.1543 (11)	0.7096 (5)	0.066 (6)
C392	0.3954 (4)	0.8436 (15)	0.1633 (5)	0.092 (7)
H392	0.392073	0.904851	0.161861	0.110*
C387	0.4365 (4)	0.7758 (15)	0.3043 (6)	0.077 (7)
H387	0.448465	0.762567	0.311240	0.093*
C394	0.4027 (4)	0.7072 (14)	0.1415 (5)	0.084 (7)
H394	0.404563	0.671213	0.123661	0.101*
N305	0.7596 (5)	0.2609 (17)	1.0631 (7)	0.102 (8)
C369	0.5547 (4)	0.6312 (12)	0.4190 (5)	0.079 (8)
H369	0.556485	0.601989	0.439494	0.095*
C384	0.4115 (5)	1.2152 (14)	0.3824 (6)	0.093 (10)
H384	0.399280	1.223874	0.378984	0.112*
O2A	0.5227 (4)	0.4677 (14)	0.7922 (6)	0.077 (7)	0.6217
C367	0.5646 (4)	0.3467 (12)	0.3117 (6)	0.083 (7)
H367	0.560774	0.406904	0.309284	0.100*
C356	0.5677 (4)	0.2260 (15)	0.4572 (5)	0.074 (7)
H356	0.571121	0.195856	0.439262	0.088*
C319	0.7331 (4)	−0.3160 (17)	0.8269 (7)	0.092 (9)
H319	0.736609	−0.376559	0.829951	0.111*
C403	0.3883 (4)	1.0932 (14)	0.0367 (5)	0.076 (7)
H403	0.387940	1.053691	0.018766	0.091*
C328	0.7411 (4)	−0.2918 (15)	0.6842 (6)	0.082 (8)
H328	0.740783	−0.322425	0.704018	0.098*
C352	0.5998 (4)	0.3476 (13)	0.6326 (5)	0.065 (6)
C396	0.3987 (4)	0.8445 (13)	0.1054 (6)	0.080 (8)
C402	0.3859 (5)	1.1857 (14)	0.0311 (6)	0.098 (10)
H402	0.383421	1.207303	0.009358	0.117*
C385	0.4172 (4)	1.1417 (18)	0.3685 (6)	0.086 (8)
H385	0.409420	1.102993	0.355042	0.103*
C313	0.7567 (5)	0.1389 (18)	1.0293 (6)	0.089 (9)
H313	0.749381	0.104406	1.013462	0.107*
C322	0.7236 (4)	−0.1428 (16)	0.8190 (6)	0.085 (8)
H322	0.719618	−0.082755	0.817342	0.102*
C386	0.4260 (5)	0.7192 (16)	0.2841 (6)	0.083 (8)
H386	0.430943	0.665994	0.277312	0.100*
C334	0.7230 (4)	0.0742 (14)	0.7250 (7)	0.078 (7)
C401	0.3899 (4)	1.2097 (16)	0.0855 (7)	0.084 (8)
H401	0.390775	1.250914	0.103018	0.100*
C373	0.5138 (4)	0.9712 (17)	0.4022 (7)	0.085 (8)
H373	0.519980	0.993519	0.422245	0.102*
C339	0.6567 (4)	0.4447 (15)	0.6839 (6)	0.072 (6)
C346	0.6146 (3)	0.6699 (16)	0.7189 (6)	0.075 (7)
H346	0.626693	0.660358	0.725767	0.090*
C376	0.4947 (6)	0.898 (2)	0.3510 (8)	0.121 (13)
H376	0.488488	0.866481	0.332741	0.145*
C5A	0.5234 (3)	0.2915 (13)	0.7324 (6)	0.064 (7)	0.6217
C374	0.4952 (5)	0.9867 (17)	0.3940 (7)	0.099 (10)
H374	0.489821	1.024372	0.407755	0.119*
C309	0.7739 (5)	0.113 (2)	1.0378 (7)	0.095 (9)
C405	0.4061 (4)	0.6880 (14)	0.0238 (5)	0.083 (7)
H405	0.405814	0.655760	0.043322	0.099*
C7A	0.5319 (4)	0.4522 (14)	0.7421 (6)	0.060 (7)	0.6217
C358	0.5566 (4)	0.3493 (13)	0.4811 (5)	0.088 (9)
H358	0.551968	0.408139	0.479879	0.106*
C391	0.3964 (4)	0.7976 (15)	0.1926 (5)	0.095 (7)
H391	0.395051	0.831431	0.211300	0.114*
C329	0.7460 (4)	−0.3394 (15)	0.6580 (6)	0.083 (8)
H329	0.749504	−0.400199	0.660327	0.100*
C4A	0.5346 (3)	0.3546 (14)	0.7493 (6)	0.054 (7)	0.6217
C323	0.7248 (4)	−0.1881 (15)	0.8478 (6)	0.094 (10)
H323	0.722217	−0.155916	0.866058	0.113*
C3A	0.5484 (3)	0.3270 (13)	0.7726 (6)	0.048 (6)	0.6217
H3A	0.555615	0.370521	0.784898	0.057*	0.6217
C408	0.4075 (5)	0.7721 (15)	−0.0324 (5)	0.108 (8)
H408	0.407848	0.802623	−0.052301	0.129*
C347	0.6062 (5)	0.7395 (17)	0.7330 (7)	0.091 (9)
H347	0.612618	0.774267	0.750057	0.109*
C366	0.5684 (5)	0.3004 (15)	0.2856 (6)	0.095 (7)
H366	0.566789	0.329707	0.265056	0.114*
O1A	0.4955 (3)	0.2565 (14)	0.6998 (5)	0.073 (7)	0.6217
H1A	0.499931	0.205742	0.698876	0.109*	0.6217
C400	0.3917 (5)	1.1200 (14)	0.0924 (7)	0.115 (13)
H400	0.393277	1.099686	0.114350	0.138*
C336	0.7204 (5)	0.2046 (18)	0.6895 (7)	0.104 (11)
H336	0.720051	0.229348	0.668375	0.125*
C330	0.7418 (6)	−0.2124 (17)	0.6267 (6)	0.139 (17)
H330	0.742340	−0.184220	0.606453	0.166*
C359	0.5584 (4)	0.3008 (14)	0.5094 (5)	0.094 (10)
H359	0.554842	0.328090	0.527790	0.113*
C318	0.7369 (4)	−0.2046 (17)	0.9504 (6)	0.088 (7)
H318	0.724872	−0.206461	0.951297	0.105*
C335	0.7214 (5)	0.1134 (16)	0.6925 (8)	0.105 (11)
H335	0.721118	0.076405	0.673827	0.126*
C317	0.7475 (4)	−0.1503 (18)	0.9715 (6)	0.085 (7)
H317	0.742604	−0.112509	0.985808	0.101*
C331	0.7368 (5)	−0.1600 (15)	0.6529 (6)	0.097 (10)
H331	0.733692	−0.098753	0.650292	0.116*
C1A	0.5408 (4)	0.1745 (15)	0.7613 (7)	0.067 (8)	0.6217
H1AA	0.542782	0.112577	0.765474	0.081*	0.6217
C12A	0.5360 (4)	0.4899 (15)	0.7136 (6)	0.065 (8)	0.6217
C307	0.7808 (5)	0.0293 (16)	1.0259 (6)	0.086 (9)
C382	0.4453 (4)	1.1892 (17)	0.3939 (8)	0.098 (9)
H382	0.457592	1.183282	0.397996	0.117*
C333	0.7212 (5)	0.1330 (17)	0.7499 (7)	0.101 (10)
H333	0.720334	0.111500	0.770957	0.122*
C320	0.7324 (5)	−0.2812 (17)	0.7967 (7)	0.101 (10)
H320	0.734387	−0.317875	0.779125	0.121*
C6A	0.5267 (4)	0.2014 (14)	0.7386 (7)	0.071 (9)	0.6217
H6A	0.519160	0.157771	0.727147	0.086*	0.6217
C312	0.7495 (6)	0.2116 (18)	1.0425 (8)	0.119 (14)
H312	0.737535	0.225100	1.036512	0.143*
C377	0.5126 (5)	0.8869 (18)	0.3583 (7)	0.095 (9)
H377	0.517296	0.846679	0.344440	0.114*
C301	0.8503 (5)	−0.048 (2)	1.0536 (9)	0.124 (10)
H301	0.857741	−0.017670	1.070652	0.148*
C383	0.4371 (7)	1.2629 (17)	0.4070 (7)	0.123 (16)
H383	0.444047	1.303348	0.421300	0.147*
C340	0.6641 (5)	0.384 (3)	0.6667 (9)	0.126 (14)
H340	0.657417	0.349097	0.649955	0.151*
C350	0.5953 (5)	0.248 (2)	0.5868 (9)	0.125 (14)
H350	0.599520	0.219604	0.569409	0.150*
C407	0.4043 (5)	0.8240 (14)	−0.0060 (5)	0.107 (8)
H407	0.402517	0.886757	−0.007780	0.129*
C304	0.8299 (5)	−0.137 (3)	1.0071 (9)	0.133 (10)
H304	0.822919	−0.173613	0.991392	0.160*
C8A	0.5262 (4)	0.5085 (14)	0.7645 (6)	0.069 (8)	0.6217
C11A	0.5341 (4)	0.5813 (15)	0.7079 (7)	0.075 (9)	0.6217
H11A	0.536833	0.605933	0.688410	0.090*	0.6217
C314	0.7604 (5)	−0.256 (3)	0.9293 (11)	0.17 (2)
H314	0.764929	−0.291022	0.913842	0.209*
C310	0.7837 (5)	0.164 (2)	1.0623 (10)	0.130 (15)
H310	0.795341	0.146984	1.070588	0.156*
C337	0.6844 (5)	0.473 (3)	0.7147 (12)	0.18 (2)
H337	0.691360	0.507378	0.731095	0.216*
C338	0.6668 (4)	0.485 (2)	0.7088 (9)	0.125 (14)
H338	0.661656	0.522603	0.722818	0.150*
C305	0.8491 (5)	−0.149 (2)	1.0133 (9)	0.127 (10)
H305	0.854722	−0.186640	0.999903	0.152*
C2A	0.5520 (4)	0.2368 (14)	0.7781 (7)	0.064 (8)	0.6217
H2A	0.561896	0.218269	0.793088	0.077*	0.6217
C351	0.6070 (5)	0.301 (2)	0.6084 (9)	0.122 (13)
H351	0.618920	0.305884	0.606840	0.146*
C315	0.7712 (5)	−0.208 (2)	0.9513 (8)	0.128 (14)
H315	0.783433	−0.213094	0.952565	0.153*
C311	0.7766 (7)	0.242 (2)	1.0754 (9)	0.125 (14)
H311	0.783352	0.278285	1.091530	0.150*
C302	0.8328 (5)	−0.026 (2)	1.0478 (9)	0.129 (10)
H302	0.828459	0.020417	1.059882	0.155*
C9A	0.5242 (4)	0.5998 (14)	0.7585 (7)	0.077 (10)	0.6217
H9A	0.520044	0.637114	0.773898	0.093*	0.6217
C14A	0.5156 (6)	0.524 (2)	0.8144 (9)	0.089 (13)	0.6217
H14A	0.505734	0.557937	0.802433	0.133*	0.6217
H14B	0.524465	0.566362	0.824737	0.133*	0.6217
H14C	0.511625	0.487654	0.831159	0.133*	0.6217
C10A	0.5282 (4)	0.6370 (16)	0.7302 (7)	0.090 (11)	0.6217
H10A	0.527015	0.699403	0.726284	0.108*	0.6217
C341	0.6831 (5)	0.373 (3)	0.6750 (11)	0.155 (19)
H341	0.688860	0.333322	0.662575	0.186*
C15A	0.5465 (6)	0.469 (3)	0.6639 (9)	0.090 (13)	0.6217
H15A	0.541288	0.433851	0.644852	0.135*	0.6217
H15B	0.559180	0.467790	0.665805	0.135*	0.6217
H15C	0.542394	0.530618	0.661466	0.135*	0.6217
C13A	0.5087 (4)	0.3214 (17)	0.7069 (8)	0.076 (10)	0.6217
H13A	0.503759	0.377035	0.714235	0.091*	0.6217
H13B	0.513264	0.335339	0.686658	0.091*	0.6217
I315	0.41068 (16)	0.5046 (5)	0.2360 (2)	0.138 (5)	0.5167
Zn38	0.39542 (14)	0.6514 (6)	0.2390 (2)	0.0763 (11)	0.5167
I316	0.36348 (14)	0.6688 (9)	0.2424 (3)	0.152 (5)	0.5167
I309	0.58033 (5)	0.00991 (11)	0.55484 (4)	0.1479 (13)
Zn35	0.56384 (6)	0.15391 (19)	0.55617 (7)	0.0863 (12)
I310	0.53280 (4)	0.1638 (2)	0.56630 (5)	0.1356 (11)
I403	0.74198 (19)	−0.4848 (7)	0.8941 (3)	0.175 (6)	0.5016
Zn42	0.72716 (17)	−0.3349 (7)	0.8957 (2)	0.127 (9)	0.5016
I404	0.69635 (15)	−0.3161 (12)	0.9041 (4)	0.168 (6)	0.5016
I515	0.3952 (7)	0.508 (4)	0.2314 (14)	0.080*	0.0378
I516	0.3607 (7)	0.706 (4)	0.2311 (15)	0.080*	0.0378
Zn58	0.3838 (16)	0.665 (7)	0.2401 (7)	0.080*	0.0378
I407	0.7285 (2)	0.4779 (9)	0.7651 (7)	0.228 (9)	0.431 (16)
Zn44	0.71775 (18)	0.3985 (8)	0.7120 (6)	0.174 (12)	0.431 (16)
I408	0.72903 (18)	0.4292 (9)	0.6594 (6)	0.211 (7)	0.431 (16)
I405	0.7762 (3)	−0.4697 (11)	0.6083 (5)	0.217 (9)	0.3527
Zn43	0.7507 (2)	−0.3690 (13)	0.5892 (4)	0.136 (7)	0.3527
I406	0.7205 (2)	−0.4130 (8)	0.5615 (3)	0.209 (8)	0.3527
I505	0.7917 (3)	−0.4393 (14)	0.6388 (5)	0.080*	0.089
I506	0.7412 (3)	−0.4595 (14)	0.5702 (5)	0.080*	0.089
Zn53	0.7659 (6)	−0.374 (3)	0.6051 (11)	0.080*	0.089
I418	0.3915 (3)	0.5924 (13)	−0.1024 (5)	0.080*	0.097 (2)
I417	0.4470 (3)	0.5181 (14)	−0.0573 (5)	0.080*	0.097 (2)
Zn49	0.4208 (6)	0.621 (3)	−0.0754 (11)	0.080*	0.097 (2)
I401	0.8937 (2)	−0.0414 (12)	1.1132 (4)	0.080*	0.107 (2)
Zn41	0.8830 (2)	−0.119 (2)	1.0600 (5)	0.080*	0.107 (2)
I402	0.8959 (2)	−0.0779 (12)	1.0099 (4)	0.080*	0.107 (2)
I411	0.6014 (2)	0.0213 (7)	0.2646 (3)	0.177 (6)	0.4629
Zn46	0.57904 (19)	0.1423 (8)	0.2471 (2)	0.119 (6)	0.4629
I412	0.54915 (15)	0.1064 (7)	0.2167 (3)	0.157 (5)	0.4629
I511	0.6071 (10)	0.037 (5)	0.2753 (14)	0.080*	0.0531
I512	0.5498 (6)	0.115 (4)	0.2276 (11)	0.080*	0.0531
Zn56	0.580 (2)	0.130 (7)	0.251 (2)	0.080*	0.0531
I414	0.5537 (4)	0.9114 (19)	0.3199 (6)	0.193 (19)	0.0777
Zn47	0.5473 (2)	0.9026 (12)	0.3782 (6)	0.0722 (11)	0.0777
I413	0.5690 (3)	0.9863 (16)	0.4189 (6)	0.092 (8)	0.0777
Zn57	0.5501 (4)	0.899 (2)	0.3644 (10)	0.080*	0.094
I514	0.5623 (3)	0.9112 (14)	0.3135 (5)	0.080*	0.094
I513	0.5598 (3)	0.9838 (15)	0.4146 (6)	0.080*	0.094
C4B	0.6770 (12)	0.269 (5)	0.588 (3)	0.080*	0.1126
C5B	0.6594 (12)	0.280 (5)	0.577 (3)	0.080*	0.1126
C2B	0.6814 (14)	0.426 (6)	0.583 (4)	0.080*	0.1126
H2B	0.688948	0.476168	0.584765	0.096*	0.1126
C6B	0.6527 (12)	0.364 (6)	0.569 (4)	0.080*	0.1126
H6B	0.640663	0.371566	0.561608	0.096*	0.1126
C3B	0.6881 (12)	0.342 (7)	0.591 (4)	0.080*	0.1126
H3B	0.700183	0.333873	0.599083	0.096*	0.1126
C1B	0.6638 (15)	0.437 (5)	0.572 (4)	0.080*	0.1126
H1B	0.659300	0.494974	0.566016	0.096*	0.1126
C7B	0.6827 (11)	0.174 (5)	0.596 (3)	0.080*	0.1126
C10B	0.6982 (17)	0.009 (6)	0.611 (3)	0.080*	0.1126
H10B	0.703483	−0.047972	0.615766	0.096*	0.1126
C13B	0.6478 (17)	0.199 (7)	0.574 (4)	0.080*	0.1126
H13C	0.654068	0.146362	0.567457	0.096*	0.1126
H13D	0.644375	0.185041	0.595383	0.096*	0.1126
C9B	0.6994 (14)	0.049 (7)	0.581 (3)	0.080*	0.1126
H9B	0.705444	0.020940	0.566089	0.096*	0.1126
C12B	0.6815 (12)	0.133 (7)	0.625 (2)	0.080*	0.1126
C11B	0.6893 (16)	0.051 (7)	0.632 (2)	0.080*	0.1126
H11B	0.688670	0.022931	0.652670	0.096*	0.1126
O1B	0.6326 (14)	0.215 (9)	0.550 (3)	0.080*	0.1126
H1BA	0.629307	0.166547	0.540939	0.120*	0.1126
O3B	0.6725 (15)	0.179 (7)	0.645 (3)	0.080*	0.1126
O2B	0.6915 (15)	0.181 (8)	0.546 (2)	0.080*	0.1126
C8B	0.6916 (13)	0.132 (7)	0.5737 (19)	0.080*	0.1126
C802	0.5212 (6)	0.243 (4)	0.3502 (10)	0.104 (15)	0.3985
H80A	0.526430	0.213395	0.333001	0.124*	0.3985
H80B	0.526375	0.303783	0.353604	0.124*	0.3985
C803	0.5254 (6)	0.189 (3)	0.3820 (12)	0.106 (15)	0.3985
H80C	0.538145	0.187742	0.389388	0.127*	0.3985
H80D	0.521292	0.127162	0.378099	0.127*	0.3985
C804	0.5167 (7)	0.232 (4)	0.4087 (9)	0.111 (15)	0.3985
H80E	0.521642	0.292174	0.414086	0.133*	0.3985
H80F	0.519010	0.194945	0.428649	0.133*	0.3985
C805	0.4969 (6)	0.240 (4)	0.3971 (11)	0.112 (15)	0.3985
H80G	0.491874	0.179363	0.393202	0.134*	0.3985
H80H	0.491580	0.268711	0.414316	0.134*	0.3985
C806	0.4929 (6)	0.295 (4)	0.3656 (13)	0.117 (16)	0.3985
H80I	0.497310	0.356853	0.369785	0.141*	0.3985
H80J	0.480193	0.298291	0.358273	0.141*	0.3985
C801	0.5015 (6)	0.252 (4)	0.3389 (9)	0.109 (15)	0.3985
H80K	0.496449	0.191701	0.333642	0.131*	0.3985
H80L	0.499137	0.288578	0.318852	0.131*	0.3985
C824	0.3558 (7)	0.336 (3)	0.1237 (8)	0.082 (13)	0.3505
H82A	0.364649	0.352730	0.110402	0.099*	0.3505
H82B	0.345423	0.314313	0.108681	0.099*	0.3505
C819	0.3629 (8)	0.260 (3)	0.1472 (12)	0.103 (15)	0.3505
H81A	0.366600	0.209670	0.134778	0.123*	0.3505
H81B	0.353696	0.239019	0.158839	0.123*	0.3505
C820	0.3785 (7)	0.294 (4)	0.1721 (13)	0.108 (16)	0.3505
H82C	0.382613	0.244894	0.187603	0.129*	0.3505
H82D	0.388079	0.310264	0.160654	0.129*	0.3505
C821	0.3735 (8)	0.375 (4)	0.1911 (9)	0.101 (15)	0.3505
H82E	0.364820	0.356555	0.204539	0.121*	0.3505
H82F	0.383865	0.397069	0.205949	0.121*	0.3505
C822	0.3659 (8)	0.451 (3)	0.1682 (12)	0.103 (15)	0.3505
H82G	0.375190	0.476100	0.157491	0.123*	0.3505
H82H	0.361686	0.498985	0.181096	0.123*	0.3505
C823	0.3509 (7)	0.419 (4)	0.1419 (12)	0.098 (15)	0.3505
H82I	0.347533	0.467747	0.126157	0.118*	0.3505
H82J	0.340812	0.404429	0.152323	0.118*	0.3505
C15B	0.668 (3)	0.131 (13)	0.672 (4)	0.080*	0.1126
H15D	0.675249	0.152424	0.692590	0.120*	0.1126
H15E	0.670342	0.066747	0.669870	0.120*	0.1126
H15F	0.655846	0.139716	0.673485	0.120*	0.1126
C818	0.5007 (5)	0.856 (3)	0.5191 (15)	0.080*	0.3709
H81C	0.488838	0.870854	0.507863	0.096*	0.3709
H81D	0.500745	0.858980	0.542890	0.096*	0.3709
C817	0.5135 (5)	0.925 (2)	0.5099 (14)	0.080*	0.3709
H81E	0.510827	0.984591	0.518374	0.096*	0.3709
H81F	0.512040	0.929424	0.485923	0.096*	0.3709
C816	0.5324 (5)	0.900 (3)	0.5238 (14)	0.080*	0.3709
H81G	0.534198	0.902353	0.547900	0.096*	0.3709
H81H	0.540287	0.944571	0.516373	0.096*	0.3709
C815	0.5366 (5)	0.806 (3)	0.5125 (14)	0.080*	0.3709
H81I	0.548787	0.790708	0.521837	0.096*	0.3709
H81J	0.535389	0.804823	0.488501	0.096*	0.3709
C814	0.5242 (6)	0.737 (2)	0.5239 (14)	0.080*	0.3709
H81K	0.526952	0.676979	0.516536	0.096*	0.3709
H81L	0.525897	0.737141	0.547947	0.096*	0.3709
C813	0.5053 (5)	0.760 (3)	0.5099 (14)	0.080*	0.3709
H81M	0.497521	0.717486	0.518438	0.096*	0.3709
H81N	0.503331	0.754726	0.485935	0.096*	0.3709
C810	0.7058 (9)	0.402 (4)	0.8468 (12)	0.110 (17)	0.3245
H81O	0.716664	0.425262	0.859821	0.132*	0.3245
H81P	0.697582	0.390134	0.861880	0.132*	0.3245
C811	0.6981 (8)	0.473 (3)	0.8218 (14)	0.096 (16)	0.3245
H81Q	0.694340	0.524946	0.833454	0.116*	0.3245
H81R	0.707104	0.493030	0.809545	0.116*	0.3245
C812	0.6825 (6)	0.436 (4)	0.7979 (12)	0.083 (15)	0.3245
H81S	0.678491	0.482443	0.781249	0.100*	0.3245
H81T	0.672887	0.423526	0.809782	0.100*	0.3245
C807	0.6871 (7)	0.351 (4)	0.7809 (11)	0.091 (15)	0.3245
H80M	0.676584	0.327070	0.766836	0.110*	0.3245
H80N	0.695706	0.364955	0.766745	0.110*	0.3245
C808	0.6946 (8)	0.279 (3)	0.8056 (15)	0.102 (16)	0.3245
H80O	0.685348	0.256747	0.817006	0.123*	0.3245
H80P	0.698673	0.227489	0.793834	0.123*	0.3245
C809	0.7098 (7)	0.313 (4)	0.8308 (15)	0.106 (17)	0.3245
H80Q	0.719971	0.322057	0.820106	0.127*	0.3245
H80R	0.712805	0.267662	0.848022	0.127*	0.3245
C14B	0.706 (2)	0.171 (14)	0.530 (4)	0.080*	0.1126
H14D	0.716831	0.167812	0.546680	0.120*	0.1126
H14E	0.707000	0.222919	0.516070	0.120*	0.1126
H14F	0.705126	0.116454	0.517094	0.120*	0.1126

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I415	0.100 (3)	0.034 (2)	0.041 (3)	−0.0057 (19)	0.020 (2)	0.0052 (16)
I312	0.086 (3)	0.066 (3)	0.073 (3)	−0.030 (2)	0.044 (2)	−0.028 (3)
I301	0.1125 (16)	0.0418 (8)	0.0962 (14)	−0.0026 (9)	0.0171 (11)	−0.0129 (8)
I311	0.136 (6)	0.035 (3)	0.072 (5)	0.027 (3)	0.046 (3)	0.013 (3)
I318	0.147 (2)	0.0700 (12)	0.0699 (11)	−0.0231 (12)	0.0303 (12)	−0.0207 (9)
I314	0.135 (2)	0.0376 (9)	0.1000 (15)	−0.0105 (10)	0.0433 (13)	−0.0016 (9)
I302	0.157 (2)	0.0486 (10)	0.0890 (15)	−0.0008 (11)	0.0390 (14)	0.0081 (9)
I317	0.180 (3)	0.0425 (9)	0.0910 (14)	0.0113 (12)	0.0426 (15)	0.0131 (9)
I313	0.1285 (19)	0.0452 (9)	0.0848 (14)	0.0036 (10)	−0.0022 (13)	−0.0301 (9)
I416	0.060 (3)	0.080 (4)	0.074 (4)	−0.010 (2)	0.014 (2)	0.016 (3)
I303	0.122 (4)	0.057 (4)	0.099 (5)	0.004 (2)	0.027 (3)	0.009 (3)
I307	0.080 (3)	0.0490 (18)	0.094 (3)	−0.0044 (15)	0.0146 (18)	−0.0068 (17)
I304	0.074 (3)	0.117 (4)	0.078 (4)	−0.020 (3)	0.016 (3)	0.018 (3)
I308	0.136 (4)	0.071 (3)	0.079 (3)	0.013 (2)	0.042 (2)	0.0043 (19)
I305	0.128 (3)	0.070 (3)	0.079 (3)	−0.023 (2)	0.035 (2)	−0.010 (2)
I306	0.192 (5)	0.059 (3)	0.088 (3)	0.023 (3)	0.050 (3)	0.011 (2)
Zn36	0.086 (6)	0.035 (6)	0.058 (7)	0.003 (4)	0.038 (5)	0.005 (5)
Zn39	0.151 (4)	0.0311 (14)	0.0475 (17)	−0.006 (2)	0.038 (2)	−0.0053 (12)
Zn48	0.137 (4)	0.0398 (18)	0.0556 (18)	−0.011 (2)	0.0254 (19)	−0.0040 (13)
Zn37	0.123 (3)	0.0270 (14)	0.065 (2)	−0.0008 (16)	0.012 (2)	−0.0073 (15)
Zn32	0.068 (5)	0.072 (9)	0.056 (8)	−0.020 (5)	0.015 (5)	−0.011 (6)
Zn31	0.121 (3)	0.0357 (16)	0.084 (3)	−0.0018 (18)	0.024 (2)	−0.0052 (17)
Zn33	0.150 (7)	0.046 (7)	0.062 (5)	−0.007 (5)	0.025 (6)	−0.002 (4)
Zn34	0.077 (5)	0.044 (4)	0.075 (4)	0.000 (3)	0.021 (3)	0.002 (3)
N327	0.098 (15)	0.044 (9)	0.050 (10)	0.010 (9)	0.028 (10)	0.006 (7)
N324	0.15 (2)	0.037 (9)	0.057 (11)	0.012 (11)	0.012 (12)	0.014 (8)
N315	0.125 (18)	0.032 (8)	0.032 (8)	−0.008 (9)	0.019 (9)	0.001 (6)
N336	0.179 (18)	0.039 (7)	0.041 (7)	−0.013 (9)	0.040 (10)	−0.014 (6)
N333	0.19 (2)	0.026 (8)	0.027 (7)	0.003 (10)	0.047 (10)	−0.004 (6)
N322	0.105 (14)	0.032 (6)	0.034 (6)	0.000 (7)	0.019 (8)	0.001 (5)
N317	0.116 (17)	0.033 (9)	0.058 (11)	−0.001 (10)	0.034 (11)	−0.004 (8)
N323	0.177 (18)	0.036 (7)	0.039 (7)	−0.011 (9)	0.042 (9)	−0.008 (6)
N320	0.145 (16)	0.020 (5)	0.031 (6)	−0.005 (7)	0.033 (8)	−0.012 (5)
N326	0.19 (3)	0.028 (8)	0.030 (8)	0.007 (12)	0.028 (12)	0.005 (6)
N318	0.15 (2)	0.038 (9)	0.033 (8)	0.001 (11)	0.013 (11)	0.011 (7)
N328	0.18 (2)	0.025 (8)	0.032 (8)	0.000 (10)	0.028 (10)	−0.001 (6)
N335	0.110 (17)	0.045 (10)	0.080 (14)	0.001 (10)	0.022 (12)	−0.009 (10)
N321	0.130 (16)	0.021 (6)	0.036 (6)	−0.003 (7)	0.025 (8)	−0.006 (5)
N316	0.110 (16)	0.050 (10)	0.050 (10)	−0.013 (10)	0.026 (10)	−0.020 (8)
N332	0.16 (2)	0.044 (10)	0.055 (11)	−0.035 (11)	0.051 (12)	−0.023 (8)
N310	0.116 (16)	0.053 (10)	0.040 (9)	0.002 (10)	0.026 (9)	0.003 (8)
N314	0.112 (18)	0.065 (12)	0.051 (10)	0.013 (12)	0.016 (11)	−0.020 (9)
N325	0.17 (3)	0.030 (9)	0.093 (16)	−0.030 (12)	−0.033 (16)	0.009 (10)
N311	0.20 (3)	0.027 (9)	0.057 (11)	−0.016 (12)	0.049 (14)	−0.003 (8)
N309	0.107 (16)	0.046 (10)	0.050 (10)	−0.004 (9)	0.021 (10)	−0.013 (8)
N319	0.18 (2)	0.029 (8)	0.037 (9)	−0.011 (11)	0.022 (11)	0.011 (7)
C357	0.103 (17)	0.031 (9)	0.037 (9)	−0.002 (10)	0.012 (10)	0.005 (7)
C343	0.100 (18)	0.021 (8)	0.044 (10)	−0.009 (10)	0.013 (11)	−0.007 (7)
N330	0.105 (17)	0.038 (10)	0.079 (13)	−0.006 (10)	0.028 (12)	−0.021 (9)
N302	0.13 (2)	0.060 (12)	0.065 (13)	0.000 (13)	0.018 (13)	−0.009 (10)
N301	0.146 (15)	0.073 (12)	0.061 (11)	−0.003 (11)	0.024 (10)	−0.017 (9)
C388	0.16 (3)	0.023 (9)	0.041 (11)	−0.007 (12)	0.018 (14)	−0.003 (8)
N312	0.116 (18)	0.063 (13)	0.060 (12)	0.007 (12)	0.012 (12)	0.002 (10)
C370	0.102 (17)	0.029 (9)	0.047 (11)	0.003 (10)	0.018 (11)	−0.013 (8)
N334	0.15 (2)	0.047 (11)	0.074 (13)	−0.014 (12)	0.035 (13)	−0.019 (10)
N308	0.104 (16)	0.043 (10)	0.078 (13)	0.013 (10)	0.025 (11)	−0.023 (9)
C379	0.12 (2)	0.040 (11)	0.041 (11)	−0.017 (12)	0.026 (12)	0.001 (9)
C365	0.157 (19)	0.038 (9)	0.049 (8)	−0.001 (10)	0.043 (10)	−0.003 (6)
C360	0.100 (15)	0.027 (6)	0.035 (7)	−0.006 (7)	0.020 (9)	−0.001 (5)
C364	0.144 (18)	0.039 (7)	0.034 (8)	0.004 (9)	0.039 (10)	0.010 (6)
C344	0.087 (17)	0.048 (12)	0.049 (11)	0.006 (11)	0.008 (11)	−0.008 (9)
N307	0.131 (19)	0.059 (12)	0.057 (11)	−0.020 (12)	0.024 (12)	−0.009 (9)
N306	0.116 (13)	0.060 (11)	0.069 (11)	−0.009 (10)	0.028 (11)	−0.014 (8)
C368	0.16 (3)	0.022 (10)	0.081 (17)	0.008 (13)	−0.004 (17)	0.004 (10)
C321	0.108 (19)	0.039 (10)	0.056 (12)	−0.015 (11)	0.021 (12)	−0.021 (9)
C326	0.12 (2)	0.049 (12)	0.047 (12)	0.002 (13)	0.008 (12)	0.012 (10)
C349	0.093 (19)	0.048 (12)	0.058 (13)	−0.003 (12)	0.015 (12)	−0.013 (10)
C348	0.12 (2)	0.056 (13)	0.037 (10)	−0.005 (13)	0.025 (12)	0.021 (9)
C345	0.12 (2)	0.047 (11)	0.025 (8)	−0.005 (12)	0.017 (10)	−0.013 (8)
C381	0.15 (3)	0.021 (9)	0.072 (15)	−0.016 (12)	0.037 (16)	−0.009 (9)
N331	0.168 (18)	0.045 (7)	0.054 (9)	−0.017 (10)	0.040 (10)	−0.022 (7)
N313	0.100 (13)	0.039 (9)	0.101 (15)	0.007 (9)	0.008 (10)	−0.001 (9)
C355	0.17 (3)	0.059 (13)	0.026 (9)	−0.001 (15)	0.038 (12)	0.011 (9)
N329	0.117 (19)	0.062 (13)	0.054 (11)	0.003 (13)	0.033 (13)	−0.001 (9)
C399	0.113 (19)	0.026 (9)	0.050 (11)	0.005 (10)	0.022 (11)	−0.001 (8)
N304	0.13 (2)	0.078 (14)	0.058 (12)	−0.012 (13)	0.027 (12)	−0.014 (11)
C397	0.15 (2)	0.023 (9)	0.060 (13)	−0.007 (11)	0.040 (14)	0.003 (9)
C363	0.135 (18)	0.036 (7)	0.054 (9)	−0.003 (9)	0.038 (10)	−0.008 (7)
C362	0.14 (2)	0.039 (8)	0.035 (7)	−0.006 (10)	0.024 (9)	0.001 (6)
C354	0.11 (2)	0.047 (12)	0.063 (14)	−0.006 (12)	0.036 (13)	−0.003 (10)
C327	0.12 (2)	0.026 (9)	0.047 (11)	−0.011 (10)	0.018 (12)	−0.005 (8)
C375	0.13 (3)	0.056 (14)	0.064 (14)	−0.015 (15)	0.040 (15)	−0.031 (12)
C380	0.105 (19)	0.039 (11)	0.039 (10)	0.004 (11)	0.015 (11)	0.008 (8)
C353	0.15 (3)	0.027 (9)	0.042 (11)	−0.004 (12)	0.030 (13)	−0.022 (8)
N303	0.13 (2)	0.034 (10)	0.089 (15)	0.005 (11)	0.040 (14)	0.007 (9)
C332	0.11 (2)	0.038 (12)	0.13 (3)	−0.001 (13)	0.012 (18)	−0.036 (15)
C393	0.17 (2)	0.033 (8)	0.043 (9)	−0.012 (10)	0.044 (11)	−0.005 (7)
C308	0.088 (18)	0.076 (16)	0.053 (13)	0.006 (13)	0.020 (12)	−0.008 (11)
C406	0.19 (2)	0.038 (7)	0.031 (8)	−0.020 (11)	0.039 (11)	−0.015 (6)
C303	0.126 (16)	0.103 (18)	0.093 (16)	−0.005 (14)	0.016 (13)	−0.056 (14)
O3A	0.095 (17)	0.050 (13)	0.082 (16)	−0.005 (12)	0.028 (13)	0.023 (12)
C390	0.16 (3)	0.046 (12)	0.042 (11)	0.016 (14)	−0.002 (14)	−0.007 (10)
C389	0.12 (2)	0.046 (12)	0.043 (11)	−0.003 (13)	−0.006 (13)	−0.008 (9)
C372	0.17 (3)	0.048 (12)	0.028 (9)	0.010 (14)	0.021 (12)	0.010 (9)
C342	0.14 (2)	0.027 (9)	0.033 (9)	0.008 (11)	0.002 (11)	0.008 (7)
C306	0.093 (19)	0.071 (16)	0.065 (14)	−0.008 (14)	0.019 (13)	0.007 (12)
C378	0.14 (3)	0.058 (14)	0.056 (13)	−0.025 (15)	0.045 (15)	−0.015 (11)
C371	0.12 (2)	0.027 (10)	0.080 (16)	−0.011 (11)	0.025 (14)	−0.009 (10)
C361	0.119 (18)	0.033 (7)	0.042 (8)	−0.002 (9)	0.028 (10)	0.001 (6)
C316	0.121 (14)	0.053 (12)	0.056 (12)	−0.008 (11)	0.036 (11)	−0.014 (9)
C404	0.15 (2)	0.050 (9)	0.044 (8)	−0.014 (11)	0.033 (11)	−0.009 (6)
C395	0.17 (2)	0.045 (9)	0.049 (9)	0.004 (11)	0.032 (11)	−0.009 (7)
C398	0.109 (19)	0.038 (11)	0.061 (13)	−0.013 (11)	0.032 (12)	−0.021 (10)
C324	0.080 (16)	0.070 (15)	0.054 (12)	−0.024 (12)	0.015 (11)	0.005 (11)
C325	0.12 (2)	0.016 (8)	0.062 (13)	0.006 (10)	0.030 (13)	0.013 (8)
C392	0.20 (2)	0.038 (9)	0.052 (9)	−0.016 (11)	0.053 (12)	−0.011 (7)
C387	0.11 (2)	0.045 (12)	0.084 (17)	−0.006 (12)	0.034 (15)	−0.005 (11)
C394	0.17 (2)	0.037 (8)	0.052 (9)	0.001 (11)	0.032 (11)	−0.006 (7)
N305	0.16 (3)	0.080 (17)	0.080 (16)	−0.018 (18)	0.055 (17)	0.016 (14)
C369	0.18 (3)	0.024 (9)	0.035 (10)	0.007 (12)	0.026 (13)	0.007 (8)
C384	0.19 (3)	0.037 (12)	0.059 (14)	−0.011 (15)	0.030 (16)	−0.025 (10)
O2A	0.12 (2)	0.036 (11)	0.073 (15)	0.015 (12)	0.012 (14)	−0.020 (11)
C367	0.17 (2)	0.019 (7)	0.068 (10)	−0.007 (10)	0.046 (11)	0.001 (6)
C356	0.13 (2)	0.051 (12)	0.037 (10)	−0.012 (13)	0.020 (12)	0.005 (9)
C319	0.15 (3)	0.048 (13)	0.088 (19)	−0.001 (15)	0.040 (18)	0.009 (13)
C403	0.14 (2)	0.040 (11)	0.052 (12)	0.003 (12)	0.020 (13)	0.013 (9)
C328	0.13 (2)	0.040 (12)	0.073 (15)	0.009 (13)	0.025 (15)	−0.014 (11)
C352	0.10 (2)	0.034 (10)	0.056 (12)	0.004 (11)	0.014 (12)	−0.013 (9)
C396	0.16 (3)	0.032 (10)	0.062 (13)	−0.032 (13)	0.048 (15)	−0.019 (9)
C402	0.20 (3)	0.031 (11)	0.060 (14)	−0.001 (15)	0.031 (17)	0.019 (10)
C385	0.13 (3)	0.077 (18)	0.045 (12)	0.012 (17)	−0.003 (14)	−0.005 (11)
C313	0.15 (3)	0.069 (16)	0.051 (13)	0.025 (17)	0.024 (15)	−0.009 (11)
C322	0.14 (3)	0.051 (13)	0.061 (14)	0.011 (14)	0.015 (15)	−0.007 (11)
C386	0.15 (3)	0.047 (13)	0.058 (14)	−0.009 (15)	0.038 (16)	−0.024 (11)
C334	0.11 (2)	0.033 (11)	0.088 (17)	0.013 (11)	0.012 (15)	−0.017 (11)
C401	0.11 (2)	0.049 (13)	0.093 (19)	−0.007 (13)	0.025 (16)	−0.012 (13)
C373	0.10 (2)	0.065 (16)	0.090 (19)	0.002 (15)	0.032 (16)	−0.009 (14)
C339	0.103 (15)	0.051 (12)	0.063 (12)	−0.007 (10)	0.015 (10)	−0.006 (9)
C346	0.083 (17)	0.061 (14)	0.083 (16)	−0.003 (12)	0.022 (13)	−0.031 (12)
C376	0.20 (4)	0.09 (2)	0.09 (2)	−0.02 (2)	0.08 (3)	−0.038 (18)
C5A	0.11 (2)	0.024 (12)	0.065 (16)	−0.010 (13)	0.048 (15)	−0.009 (11)
C374	0.16 (3)	0.054 (15)	0.083 (19)	−0.013 (17)	0.021 (19)	−0.023 (13)
C309	0.13 (3)	0.078 (19)	0.082 (19)	−0.016 (18)	0.042 (18)	−0.035 (15)
C405	0.17 (2)	0.041 (8)	0.040 (8)	−0.013 (11)	0.037 (11)	−0.003 (7)
C7A	0.088 (18)	0.030 (13)	0.062 (15)	0.003 (13)	0.016 (14)	−0.002 (12)
C358	0.19 (3)	0.027 (10)	0.054 (13)	0.002 (13)	0.043 (16)	−0.009 (9)
C391	0.21 (2)	0.049 (8)	0.032 (8)	−0.017 (11)	0.044 (11)	−0.023 (7)
C329	0.15 (3)	0.042 (12)	0.061 (14)	0.000 (14)	0.032 (15)	0.011 (10)
C4A	0.091 (18)	0.027 (12)	0.049 (14)	−0.006 (12)	0.029 (13)	−0.006 (11)
C323	0.18 (3)	0.041 (12)	0.065 (15)	−0.008 (15)	0.046 (17)	−0.008 (11)
C3A	0.083 (19)	0.028 (12)	0.038 (13)	−0.009 (12)	0.027 (13)	0.008 (10)
C408	0.25 (2)	0.044 (8)	0.032 (9)	0.002 (12)	0.046 (13)	−0.015 (7)
C347	0.16 (3)	0.055 (15)	0.068 (16)	−0.019 (17)	0.048 (19)	−0.028 (12)
C366	0.20 (2)	0.041 (8)	0.056 (10)	−0.003 (11)	0.046 (13)	−0.001 (7)
O1A	0.13 (2)	0.044 (12)	0.056 (13)	−0.023 (13)	0.041 (14)	−0.030 (10)
C400	0.26 (4)	0.027 (11)	0.066 (16)	0.000 (17)	0.05 (2)	−0.003 (10)
C336	0.18 (3)	0.053 (15)	0.080 (19)	0.005 (18)	0.03 (2)	0.001 (14)
C330	0.33 (5)	0.041 (13)	0.058 (15)	0.02 (2)	0.07 (2)	0.024 (12)
C359	0.21 (3)	0.035 (11)	0.047 (12)	−0.001 (15)	0.054 (16)	0.010 (9)
C318	0.125 (16)	0.063 (13)	0.080 (14)	−0.010 (11)	0.030 (12)	−0.024 (11)
C335	0.19 (3)	0.038 (12)	0.10 (2)	0.003 (16)	0.08 (2)	−0.010 (13)
C317	0.118 (14)	0.069 (14)	0.071 (14)	−0.006 (11)	0.030 (12)	−0.023 (11)
C331	0.21 (3)	0.035 (11)	0.053 (13)	0.016 (15)	0.049 (17)	0.017 (10)
C1A	0.12 (2)	0.029 (13)	0.062 (17)	0.015 (15)	0.050 (16)	0.018 (12)
C12A	0.078 (18)	0.043 (14)	0.071 (17)	−0.005 (14)	0.010 (15)	0.021 (13)
C307	0.16 (3)	0.049 (13)	0.059 (14)	−0.006 (17)	0.039 (17)	−0.003 (11)
C382	0.12 (3)	0.048 (14)	0.12 (2)	0.004 (15)	0.018 (19)	−0.015 (15)
C333	0.18 (3)	0.050 (14)	0.072 (17)	0.016 (17)	0.020 (18)	0.002 (12)
C320	0.17 (3)	0.050 (14)	0.078 (18)	−0.022 (17)	0.020 (19)	0.008 (13)
C6A	0.14 (2)	0.029 (14)	0.056 (16)	−0.014 (16)	0.044 (17)	0.000 (12)
C312	0.24 (5)	0.043 (14)	0.081 (19)	0.02 (2)	0.06 (2)	0.016 (14)
C377	0.12 (3)	0.064 (17)	0.11 (2)	−0.003 (17)	0.03 (2)	−0.021 (16)
C301	0.133 (16)	0.119 (18)	0.111 (18)	0.006 (15)	0.001 (14)	−0.071 (15)
C383	0.27 (5)	0.043 (14)	0.068 (18)	−0.04 (2)	0.07 (3)	−0.035 (13)
C340	0.106 (15)	0.14 (3)	0.13 (2)	0.012 (17)	−0.002 (15)	−0.08 (2)
C350	0.15 (3)	0.11 (3)	0.12 (3)	−0.02 (2)	0.03 (2)	−0.09 (2)
C407	0.26 (3)	0.028 (8)	0.046 (9)	0.000 (13)	0.067 (13)	−0.008 (7)
C304	0.151 (16)	0.124 (19)	0.121 (19)	0.006 (16)	0.011 (15)	−0.081 (16)
C8A	0.11 (2)	0.021 (12)	0.081 (18)	0.006 (13)	0.017 (16)	−0.018 (12)
C11A	0.08 (2)	0.028 (14)	0.11 (2)	−0.003 (14)	−0.007 (18)	0.026 (15)
C314	0.117 (15)	0.22 (4)	0.19 (3)	−0.030 (16)	0.038 (16)	−0.16 (4)
C310	0.12 (3)	0.09 (2)	0.19 (4)	−0.02 (2)	0.08 (3)	−0.07 (3)
C337	0.101 (15)	0.18 (4)	0.24 (4)	0.021 (18)	−0.018 (18)	−0.15 (4)
C338	0.104 (14)	0.11 (2)	0.15 (2)	0.020 (15)	−0.005 (16)	−0.09 (2)
C305	0.154 (17)	0.106 (18)	0.116 (17)	0.018 (15)	0.009 (15)	−0.066 (14)
C2A	0.10 (2)	0.041 (15)	0.059 (16)	0.014 (15)	0.028 (16)	−0.001 (13)
C351	0.15 (3)	0.09 (2)	0.14 (3)	−0.01 (2)	0.05 (2)	−0.07 (2)
C315	0.121 (16)	0.14 (3)	0.13 (2)	−0.028 (16)	0.043 (15)	−0.10 (2)
C311	0.20 (4)	0.08 (2)	0.09 (2)	−0.01 (3)	0.02 (3)	−0.031 (18)
C302	0.136 (17)	0.117 (19)	0.127 (19)	0.007 (14)	0.003 (15)	−0.081 (16)
C9A	0.10 (2)	0.031 (14)	0.10 (2)	0.011 (15)	−0.005 (19)	−0.036 (15)
C14A	0.10 (3)	0.06 (2)	0.11 (3)	0.01 (2)	0.02 (2)	−0.05 (2)
C10A	0.10 (2)	0.034 (16)	0.12 (3)	0.005 (16)	−0.01 (2)	0.010 (17)
C341	0.107 (15)	0.15 (3)	0.20 (3)	0.016 (17)	0.002 (17)	−0.11 (3)
C15A	0.08 (3)	0.07 (3)	0.13 (3)	0.00 (2)	0.06 (3)	0.01 (2)
C13A	0.13 (3)	0.025 (14)	0.08 (2)	−0.011 (16)	0.02 (2)	0.001 (14)
I315	0.321 (13)	0.036 (3)	0.064 (4)	0.001 (5)	0.051 (6)	0.004 (2)
Zn38	0.137 (4)	0.0398 (18)	0.0556 (18)	−0.011 (2)	0.0254 (19)	−0.0040 (13)
I316	0.265 (12)	0.114 (7)	0.078 (5)	−0.053 (6)	0.032 (6)	0.016 (4)
I309	0.352 (4)	0.0351 (8)	0.0545 (9)	0.0204 (14)	0.0302 (15)	0.0051 (7)
Zn35	0.172 (4)	0.0430 (15)	0.0421 (15)	−0.0236 (19)	0.0116 (18)	0.0062 (12)
I310	0.152 (2)	0.176 (3)	0.0742 (12)	−0.0562 (19)	0.0091 (13)	0.0473 (14)
I403	0.394 (19)	0.051 (4)	0.080 (4)	−0.008 (7)	0.043 (9)	0.006 (3)
Zn42	0.27 (2)	0.053 (8)	0.055 (10)	−0.019 (9)	0.034 (9)	0.010 (7)
I404	0.235 (12)	0.176 (12)	0.100 (7)	−0.071 (8)	0.045 (7)	0.012 (6)
I407	0.164 (9)	0.086 (6)	0.39 (2)	0.033 (6)	−0.075 (11)	−0.131 (10)
Zn44	0.134 (15)	0.048 (8)	0.32 (3)	0.013 (8)	−0.026 (15)	−0.042 (12)
I408	0.159 (9)	0.075 (6)	0.40 (2)	−0.002 (5)	0.065 (12)	0.108 (9)
I405	0.37 (2)	0.080 (8)	0.263 (19)	0.078 (12)	0.243 (16)	0.089 (11)
Zn43	0.289 (16)	0.042 (11)	0.120 (14)	0.005 (12)	0.154 (12)	0.006 (9)
I406	0.49 (2)	0.077 (7)	0.052 (4)	−0.104 (9)	0.026 (7)	−0.010 (4)
I411	0.447 (15)	0.039 (3)	0.061 (5)	0.032 (5)	0.091 (6)	0.023 (3)
Zn46	0.314 (14)	0.029 (7)	0.028 (5)	−0.022 (7)	0.068 (7)	−0.013 (5)
I412	0.317 (11)	0.080 (6)	0.093 (6)	−0.043 (6)	0.092 (6)	−0.066 (5)
I414	0.10 (2)	0.10 (2)	0.41 (6)	−0.007 (17)	0.11 (3)	−0.10 (3)
Zn47	0.123 (3)	0.0270 (14)	0.065 (2)	−0.0008 (16)	0.012 (2)	−0.0073 (15)
I413	0.073 (14)	0.105 (18)	0.083 (15)	0.000 (14)	−0.024 (13)	−0.027 (13)
C802	0.12 (3)	0.09 (3)	0.09 (3)	−0.04 (3)	−0.04 (2)	0.03 (2)
C803	0.13 (3)	0.08 (3)	0.09 (3)	−0.04 (3)	−0.03 (2)	0.04 (2)
C804	0.14 (3)	0.09 (3)	0.10 (3)	−0.04 (3)	−0.03 (2)	0.03 (2)
C805	0.14 (3)	0.10 (3)	0.09 (3)	−0.04 (3)	−0.03 (2)	0.02 (2)
C806	0.13 (3)	0.11 (3)	0.10 (3)	−0.03 (3)	−0.03 (2)	0.03 (2)
C801	0.11 (3)	0.10 (3)	0.09 (3)	−0.04 (3)	−0.03 (2)	0.04 (3)
C824	0.10 (3)	0.12 (3)	0.04 (2)	−0.02 (3)	0.040 (19)	0.031 (19)
C819	0.12 (3)	0.13 (3)	0.07 (2)	−0.02 (3)	0.03 (2)	0.04 (2)
C820	0.11 (3)	0.14 (4)	0.08 (3)	−0.01 (3)	0.02 (2)	0.04 (2)
C821	0.11 (3)	0.13 (4)	0.06 (2)	−0.03 (3)	0.03 (2)	0.04 (2)
C822	0.13 (4)	0.12 (3)	0.06 (2)	−0.02 (3)	0.02 (2)	0.03 (2)
C823	0.11 (3)	0.13 (3)	0.06 (2)	−0.01 (3)	0.03 (2)	0.01 (2)
C810	0.09 (3)	0.15 (4)	0.09 (3)	−0.02 (3)	0.01 (2)	−0.03 (3)
C811	0.08 (3)	0.13 (4)	0.08 (3)	−0.03 (3)	0.01 (2)	−0.04 (2)
C812	0.06 (3)	0.13 (4)	0.07 (3)	−0.02 (2)	0.03 (2)	−0.05 (2)
C807	0.07 (3)	0.13 (4)	0.08 (3)	−0.01 (3)	0.03 (2)	−0.05 (2)
C808	0.09 (3)	0.14 (4)	0.09 (3)	0.00 (3)	0.03 (2)	−0.05 (3)
C809	0.09 (3)	0.15 (4)	0.08 (3)	−0.01 (3)	0.03 (2)	−0.02 (3)

Geometric parameters (Å, º)

I415—Zn48	2.521 (10)	C334—C335	1.46 (4)
I312—Zn36	2.522 (11)	C334—C333	1.38 (3)
I301—Zn31	2.545 (4)	C401—H401	0.9500
I311—Zn36	2.541 (9)	C401—C400	1.37 (3)
I318—Zn39	2.521 (6)	C373—H373	0.9500
I314—Zn37	2.550 (5)	C373—C374	1.46 (4)
I302—Zn31	2.535 (5)	C339—C340	1.36 (4)
I317—Zn39	2.534 (5)	C339—C338	1.33 (4)
I313—Zn37	2.504 (4)	C346—H346	0.9500
I416—Zn48	2.550 (11)	C346—C347	1.41 (3)
I303—Zn32	2.528 (10)	C376—H376	0.9500
I307—Zn34	2.541 (9)	C376—C377	1.39 (5)
I304—Zn32	2.513 (8)	C5A—C4A	1.392 (17)
I308—Zn34	2.549 (8)	C5A—C6A	1.387 (17)
I305—Zn33	2.520 (9)	C5A—C13A	1.495 (18)
I306—Zn33	2.528 (9)	C374—H374	0.9500
Zn36—N317^i	2.04 (2)	C309—C307	1.48 (4)
Zn36—N323	2.078 (17)	C309—C310	1.39 (4)
Zn39—N336	2.076 (16)	C405—H405	0.9500
Zn39—N329^ii	2.08 (2)	C7A—C4A	1.50 (3)
Zn48—N330	2.06 (2)	C7A—C12A	1.401 (17)
Zn48—N331	2.06 (2)	C7A—C8A	1.390 (17)
Zn37—N324	2.124 (17)	C358—H358	0.9500
Zn37—N325	1.88 (3)	C358—C359	1.37 (3)
Zn32—N307	2.06 (2)	C391—H391	0.9500
Zn32—N306	2.08 (2)	C329—H329	0.9500
Zn31—N335^iii	2.09 (2)	C4A—C3A	1.388 (17)
Zn31—N301	2.10 (3)	C323—H323	0.9500
Zn33—N311	2.15 (2)	C3A—H3A	0.9500
Zn33—N305^iv	2.12 (3)	C3A—C2A	1.389 (17)
Zn34—N312	2.11 (2)	C408—H408	0.9500
Zn34—N313	2.07 (2)	C408—C407	1.40 (3)
N327—C379	1.31 (3)	C347—H347	0.9500
N327—C378	1.31 (3)	C366—H366	0.9500
N324—C368	1.34 (3)	O1A—H1A	0.8400
N324—C372	1.29 (3)	O1A—C13A	1.415 (18)
N324—Zn47	2.12 (3)	C400—H400	0.9500
N324—Zn57	2.26 (4)	C336—H336	0.9500
N315—C343	1.34 (3)	C336—C335	1.37 (3)
N315—C342	1.33 (3)	C330—H330	0.9500
N336—C404	1.35 (3)	C330—C331	1.45 (4)
N336—C408	1.27 (3)	C359—H359	0.9500
N336—Zn49	2.34 (5)	C318—H318	0.9500
N333—C397	1.34 (3)	C318—C317	1.37 (4)
N333—C396	1.27 (3)	C335—H335	0.9500
N322—C362	1.34 (2)	C317—H317	0.9500
N322—C361	1.36 (2)	C331—H331	0.9500
N317—C348	1.38 (3)	C1A—H1AA	0.9500
N317—C347	1.31 (4)	C1A—C6A	1.385 (17)
N317—Zn46^v	2.07 (2)	C1A—C2A	1.384 (17)
N317—Zn56^v	2.26 (14)	C12A—C11A	1.392 (17)
N323—C365	1.31 (3)	C382—H382	0.9500
N323—C366	1.37 (3)	C382—C383	1.43 (4)
N323—Zn46	2.079 (18)	C333—H333	0.9500
N323—Zn56	2.08 (2)	C320—H320	0.9500
N320—C360	1.32 (2)	C6A—H6A	0.9500
N320—C362	1.35 (2)	C312—H312	0.9500
N326—C380	1.38 (3)	C377—H377	0.9500
N326—C378	1.34 (3)	C301—H301	0.9500
N318—C354	1.29 (3)	C301—C302	1.39 (5)
N318—C350	1.32 (4)	C383—H383	0.9500
N318—Zn35	2.06 (2)	C383—Zn49^vii	2.35 (6)
N328—C379	1.39 (3)	C340—H340	0.9500
N328—C380	1.37 (3)	C340—C341	1.48 (5)
N335—C402	1.29 (3)	C350—H350	0.9500
N335—C401	1.34 (3)	C350—C351	1.41 (4)
N335—Zn41^vi	2.12 (4)	C407—H407	0.9500
N321—C360	1.35 (2)	C304—H304	0.9500
N321—C361	1.32 (2)	C304—C305	1.49 (5)
N316—C343	1.35 (3)	C8A—C9A	1.392 (17)
N316—C344	1.37 (3)	C11A—H11A	0.9500
N332—C398	1.32 (3)	C11A—C10A	1.384 (18)
N332—C396	1.39 (3)	C314—H314	0.9500
N310—C326	1.40 (3)	C314—C315	1.35 (4)
N310—C325	1.35 (2)	C310—H310	0.9500
N314—C344	1.31 (3)	C310—C311	1.44 (4)
N314—C342	1.30 (3)	C337—H337	0.9500
N325—C373	1.49 (3)	C337—C338	1.37 (5)
N325—C377	1.25 (3)	C338—H338	0.9500
N325—Zn47	1.89 (3)	C305—H305	0.9500
N325—Zn57	2.31 (4)	C2A—H2A	0.9500
N311—C329	1.32 (3)	C351—H351	0.9500
N311—C330	1.29 (3)	C315—H315	0.9500
N311—Zn43	2.13 (2)	C311—H311	0.9500
N311—Zn53	2.36 (5)	C311—Zn53^viii	2.55 (6)
N309—C324	1.40 (3)	C302—H302	0.9500
N309—C325	1.24 (3)	C9A—H9A	0.9500
N319—C355	1.26 (3)	C9A—C10A	1.387 (18)
N319—C359	1.30 (3)	C14A—H14A	0.9800
N319—Zn35	2.069 (15)	C14A—H14B	0.9800
C357—C360	1.50 (2)	C14A—H14C	0.9799
C357—C356	1.35 (3)	C10A—H10A	0.9500
C357—C358	1.35 (3)	C341—H341	0.9500
C343—C345	1.49 (3)	C15A—H15A	0.9799
N330—C390	1.24 (3)	C15A—H15B	0.9800
N330—C386	1.31 (3)	C15A—H15C	0.9801
N330—Zn38	2.05 (2)	C13A—H13A	0.9900
N330—Zn58	2.46 (9)	C13A—H13B	0.9900
N302—C308	1.35 (3)	I315—Zn38	2.513 (10)
N302—C306	1.31 (3)	Zn38—I316	2.543 (11)
N301—C301	1.32 (4)	I309—Zn35	2.517 (4)
N301—C305	1.23 (4)	Zn35—I310	2.542 (5)
N301—Zn41	2.09 (3)	I403—Zn42	2.530 (12)
C388—C380	1.47 (3)	Zn42—I404	2.513 (13)
C388—C389	1.35 (4)	I515—Zn58	2.56 (12)
C388—C387	1.32 (3)	I516—Zn58	1.89 (13)
N312—C332	1.33 (4)	I407—Zn44	2.524 (14)
N312—C336	1.28 (3)	Zn44—I408	2.545 (16)
N312—Zn44	2.10 (2)	I405—Zn43	2.520 (15)
C370—C362	1.51 (3)	Zn43—I406	2.532 (16)
C370—C371	1.42 (3)	I505—Zn53	2.45 (5)
C370—C369	1.33 (3)	I506—Zn53	2.55 (5)
N334—C397	1.39 (3)	I418—Zn49	2.41 (5)
N334—C398	1.36 (3)	I417—Zn49	2.58 (5)
N308—C326	1.32 (3)	I401—Zn41	2.516 (18)
N308—C324	1.30 (3)	Zn41—I402	2.548 (19)
C379—C381	1.47 (3)	I411—Zn46	2.538 (13)
C365—H365	0.9500	Zn46—I412	2.519 (14)
C365—C364	1.41 (3)	I511—Zn56	2.58 (15)
C364—H364	0.9500	I512—Zn56	2.42 (16)
C364—C363	1.33 (3)	I414—Zn47	2.565 (19)
C344—C352	1.46 (3)	Zn47—I413	2.519 (18)
N307—C319	1.32 (3)	Zn57—I514	2.48 (5)
N307—C323	1.33 (3)	Zn57—I513	2.45 (5)
N307—Zn42	2.06 (2)	C4B—C5B	1.388 (19)
N306—C318	1.33 (3)	C4B—C3B	1.39 (2)
N306—C314	1.35 (4)	C4B—C7B	1.50 (2)
N306—Zn42	2.08 (2)	C5B—C6B	1.385 (19)
C368—H368	0.9500	C5B—C13B	1.507 (19)
C368—C369	1.32 (3)	C2B—H2B	0.9500
C321—C324	1.43 (3)	C2B—C3B	1.39 (2)
C321—C322	1.42 (3)	C2B—C1B	1.39 (2)
C321—C320	1.46 (3)	C6B—H6B	0.9500
C326—C334	1.49 (3)	C6B—C1B	1.389 (19)
C349—H349	0.9500	C3B—H3B	0.9500
C349—C348	1.34 (3)	C1B—H1B	0.9500
C349—C345	1.37 (3)	C7B—C12B	1.389 (19)
C348—H348	0.9500	C7B—C8B	1.386 (19)
C345—C346	1.35 (3)	C10B—H10B	0.9500
C381—C385	1.39 (4)	C10B—C9B	1.387 (19)
C381—C382	1.40 (4)	C10B—C11B	1.388 (19)
N331—C395	1.37 (3)	C13B—H13C	0.9900
N331—C391	1.29 (3)	C13B—H13D	0.9900
N331—Zn38	2.06 (2)	C13B—O1B	1.43 (2)
N331—Zn58	2.45 (9)	C9B—H9B	0.9500
N313—C337	1.31 (4)	C9B—C8B	1.387 (19)
N313—C341	1.23 (4)	C12B—C11B	1.388 (19)
N313—Zn44	2.04 (3)	C12B—O3B	1.37 (2)
C355—H355	0.9500	C11B—H11B	0.9500
C355—C356	1.40 (3)	O1B—H1BA	0.8400
N329—C384	1.32 (3)	O3B—C15B	1.43 (2)
N329—C383	1.27 (5)	O2B—C8B	1.37 (2)
N329—Zn49^vii	1.84 (5)	O2B—C14B	1.43 (2)
C399—C397	1.47 (3)	C802—H80A	0.9900
C399—C403	1.35 (3)	C802—H80B	0.9900
C399—C400	1.38 (3)	C802—C803	1.540 (13)
N304—C308	1.31 (3)	C802—C801	1.541 (13)
N304—C307	1.36 (4)	C803—H80C	0.9900
C363—C361	1.45 (3)	C803—H80D	0.9900
C363—C367	1.36 (3)	C803—C804	1.541 (13)
C354—H354	0.9500	C804—H80E	0.9900
C354—C353	1.38 (3)	C804—H80F	0.9900
C327—C325	1.46 (3)	C804—C805	1.543 (13)
C327—C328	1.34 (3)	C805—H80G	0.9900
C327—C331	1.39 (3)	C805—H80H	0.9900
C375—C378	1.49 (4)	C805—C806	1.538 (13)
C375—C376	1.37 (4)	C806—H80I	0.9900
C375—C374	1.30 (4)	C806—H80J	0.9900
C353—H353	0.9500	C806—C801	1.541 (13)
C353—C352	1.32 (3)	C801—H80K	0.9900
N303—C306	1.33 (3)	C801—H80L	0.9900
N303—C307	1.29 (4)	C824—H82A	0.9900
C332—H332	0.9500	C824—H82B	0.9900
C332—C333	1.43 (3)	C824—C819	1.538 (13)
C393—C392	1.38 (3)	C824—C823	1.536 (13)
C393—C394	1.41 (3)	C819—H81A	0.9900
C393—C396	1.45 (3)	C819—H81B	0.9900
C308—C316	1.47 (3)	C819—C820	1.540 (13)
C406—C398	1.50 (3)	C820—H82C	0.9900
C406—C405	1.37 (3)	C820—H82D	0.9900
C406—C407	1.37 (3)	C820—C821	1.538 (13)
C303—C306	1.51 (4)	C821—H82E	0.9900
C303—C304	1.42 (4)	C821—H82F	0.9900
C303—C302	1.36 (4)	C821—C822	1.534 (13)
O3A—C12A	1.37 (3)	C822—H82G	0.9900
O3A—C15A	1.44 (3)	C822—H82H	0.9900
C390—H390	0.9500	C822—C823	1.536 (13)
C390—C389	1.37 (3)	C823—H82I	0.9900
C389—H389	0.9500	C823—H82J	0.9900
C372—H372	0.9500	C15B—H15D	0.9799
C372—C371	1.40 (3)	C15B—H15E	0.9800
C342—C339	1.56 (4)	C15B—H15F	0.9800
C371—H371	0.9500	C818—H81C	0.9900
C316—C317	1.32 (4)	C818—H81D	0.9900
C316—C315	1.41 (3)	C818—C817	1.535 (13)
C404—H404	0.9500	C818—C813	1.538 (13)
C404—C405	1.39 (3)	C817—H81E	0.9900
C395—H395	0.9500	C817—H81F	0.9900
C395—C394	1.30 (3)	C817—C816	1.539 (13)
C392—H392	0.9500	C816—H81G	0.9900
C392—C391	1.39 (3)	C816—H81H	0.9900
C387—H387	0.9500	C816—C815	1.541 (13)
C387—C386	1.37 (4)	C815—H81I	0.9900
C394—H394	0.9500	C815—H81J	0.9900
N305—C312	1.30 (4)	C815—C814	1.543 (13)
N305—C311	1.37 (5)	C814—H81K	0.9900
N305—Zn43^viii	2.13 (4)	C814—H81L	0.9900
N305—Zn53^viii	2.43 (6)	C814—C813	1.537 (13)
C369—H369	0.9500	C813—H81M	0.9900
C384—H384	0.9500	C813—H81N	0.9900
C384—C385	1.35 (3)	C810—H81O	0.9900
O2A—C8A	1.37 (3)	C810—H81P	0.9900
O2A—C14A	1.44 (3)	C810—C811	1.536 (13)
C367—H367	0.9500	C810—C809	1.533 (13)
C367—C366	1.36 (3)	C811—H81Q	0.9900
C356—H356	0.9500	C811—H81R	0.9900
C319—H319	0.9500	C811—C812	1.536 (13)
C319—C320	1.36 (4)	C812—H81S	0.9900
C403—H403	0.9500	C812—H81T	0.9900
C403—C402	1.41 (3)	C812—C807	1.538 (13)
C328—H328	0.9500	C807—H80M	0.9900
C328—C329	1.41 (3)	C807—H80N	0.9900
C352—C351	1.42 (3)	C807—C808	1.536 (13)
C402—H402	0.9500	C808—H80O	0.9900
C385—H385	0.9500	C808—H80P	0.9900
C313—H313	0.9500	C808—C809	1.533 (13)
C313—C309	1.39 (4)	C809—H80Q	0.9900
C313—C312	1.38 (4)	C809—H80R	0.9900
C322—H322	0.9500	C14B—H14D	0.9799
C322—C323	1.37 (3)	C14B—H14E	0.9801
C386—H386	0.9500	C14B—H14F	0.9800
I312—Zn36—I311	126.7 (6)	C399—C400—H400	120.5
N317^i—Zn36—I312	109.5 (8)	C401—C400—C399	119 (2)
N317^i—Zn36—I311	106.0 (8)	C401—C400—H400	120.5
N317^i—Zn36—N323	100.1 (9)	N312—C336—H336	117.6
N323—Zn36—I312	107.0 (8)	N312—C336—C335	125 (3)
N323—Zn36—I311	104.4 (8)	C335—C336—H336	117.6
I318—Zn39—I317	126.97 (15)	N311—C330—H330	119.2
N336—Zn39—I318	105.5 (7)	N311—C330—C331	122 (2)
N336—Zn39—I317	108.8 (7)	C331—C330—H330	119.2
N336—Zn39—N329^ii	97.4 (8)	N319—C359—C358	124 (2)
N329^ii—Zn39—I318	109.0 (7)	N319—C359—H359	117.8
N329^ii—Zn39—I317	105.3 (7)	C358—C359—H359	117.8
I415—Zn48—I416	123.9 (5)	N306—C318—H318	119.4
N330—Zn48—I415	107.9 (8)	N306—C318—C317	121 (3)
N330—Zn48—I416	104.8 (8)	C317—C318—H318	119.4
N330—Zn48—N331	101.1 (9)	C334—C335—H335	120.8
N331—Zn48—I415	110.1 (8)	C336—C335—C334	118 (2)
N331—Zn48—I416	106.5 (9)	C336—C335—H335	120.8
I313—Zn37—I314	120.39 (17)	C316—C317—C318	121 (3)
N324—Zn37—I314	105.8 (6)	C316—C317—H317	119.3
N324—Zn37—I313	111.2 (6)	C318—C317—H317	119.3
N325—Zn37—I314	104.4 (7)	C327—C331—C330	116 (2)
N325—Zn37—I313	111.4 (8)	C327—C331—H331	122.0
N325—Zn37—N324	101.8 (9)	C330—C331—H331	122.0
I304—Zn32—I303	125.5 (5)	C6A—C1A—H1AA	119.6
N307—Zn32—I303	109.2 (8)	C2A—C1A—H1AA	119.6
N307—Zn32—I304	107.0 (8)	C2A—C1A—C6A	120.7 (15)
N307—Zn32—N306	101.0 (9)	O3A—C12A—C7A	115.1 (19)
N306—Zn32—I303	103.7 (8)	O3A—C12A—C11A	125 (2)
N306—Zn32—I304	107.8 (8)	C11A—C12A—C7A	120.4 (19)
I302—Zn31—I301	121.18 (17)	N304—C307—C309	115 (3)
N335^iii—Zn31—I301	111.2 (6)	N303—C307—N304	127 (3)
N335^iii—Zn31—I302	106.3 (6)	N303—C307—C309	118 (3)
N335^iii—Zn31—N301	100.9 (9)	C381—C382—H382	120.7
N301—Zn31—I301	107.5 (6)	C381—C382—C383	119 (3)
N301—Zn31—I302	107.8 (6)	C383—C382—H382	120.7
I305—Zn33—I306	127.5 (5)	C332—C333—H333	120.7
N311—Zn33—I305	105.4 (9)	C334—C333—C332	119 (3)
N311—Zn33—I306	108.6 (8)	C334—C333—H333	120.7
N305^iv—Zn33—I305	108.8 (11)	C321—C320—H320	120.6
N305^iv—Zn33—I306	104.7 (10)	C319—C320—C321	119 (3)
N305^iv—Zn33—N311	98.1 (9)	C319—C320—H320	120.6
I307—Zn34—I308	121.2 (3)	C5A—C6A—H6A	119.7
N312—Zn34—I307	111.0 (7)	C1A—C6A—C5A	120.6 (15)
N312—Zn34—I308	106.9 (7)	C1A—C6A—H6A	119.7
N313—Zn34—I307	103.1 (7)	N305—C312—C313	118 (4)
N313—Zn34—I308	112.7 (8)	N305—C312—H312	121.0
N313—Zn34—N312	100.0 (9)	C313—C312—H312	121.0
C379—N327—C378	116 (2)	N325—C377—C376	131 (3)
C368—N324—Zn37	119.3 (16)	N325—C377—H377	114.6
C368—N324—Zn47	133.2 (17)	C376—C377—H377	114.6
C368—N324—Zn57	147 (2)	N301—C301—H301	118.2
C372—N324—Zn37	121.8 (14)	N301—C301—C302	124 (3)
C372—N324—C368	118.9 (19)	C302—C301—H301	118.2
C372—N324—Zn47	107.9 (15)	N329—C383—C382	122 (3)
C372—N324—Zn57	93.1 (17)	N329—C383—H383	118.9
C342—N315—C343	113.4 (19)	N329—C383—Zn49^vii	51.3 (19)
C404—N336—Zn39	121.9 (14)	C382—C383—H383	118.9
C404—N336—Zn49	123.1 (19)	C382—C383—Zn49^vii	174 (4)
C408—N336—Zn39	119.8 (15)	C339—C340—H340	121.4
C408—N336—C404	116.7 (19)	C339—C340—C341	117 (3)
C408—N336—Zn49	119.7 (19)	C341—C340—H340	121.4
C396—N333—C397	118.8 (17)	N318—C350—H350	117.9
C362—N322—C361	113.8 (16)	N318—C350—C351	124 (3)
Zn36^v—N317—Zn46^v	2.9 (5)	C351—C350—H350	117.9
Zn36^v—N317—Zn56^v	7 (4)	C406—C407—C408	116 (2)
C348—N317—Zn36^v	122 (2)	C406—C407—H407	122.0
C348—N317—Zn46^v	124 (2)	C408—C407—H407	122.0
C348—N317—Zn56^v	129 (4)	C303—C304—H304	119.8
C347—N317—Zn36^v	119.3 (16)	C303—C304—C305	120 (3)
C347—N317—C348	119 (2)	C305—C304—H304	119.8
C347—N317—Zn46^v	116.5 (16)	O2A—C8A—C7A	115.4 (19)
C347—N317—Zn56^v	112 (4)	O2A—C8A—C9A	124 (2)
Zn46^v—N317—Zn56^v	4 (4)	C7A—C8A—C9A	120.7 (19)
C365—N323—Zn36	122.8 (15)	C12A—C11A—H11A	119.5
C365—N323—C366	116.0 (18)	C10A—C11A—C12A	121 (2)
C365—N323—Zn46	120.4 (15)	C10A—C11A—H11A	119.5
C365—N323—Zn56	114 (4)	N306—C314—H314	119.4
C366—N323—Zn36	121.0 (15)	N306—C314—C315	121 (3)
C366—N323—Zn46	123.5 (15)	C315—C314—H314	119.4
C366—N323—Zn56	130 (4)	C309—C310—H310	119.2
C360—N320—C362	113.7 (15)	C309—C310—C311	122 (4)
C378—N326—C380	116 (2)	C311—C310—H310	119.2
C354—N318—C350	118 (2)	N313—C337—H337	119.8
C354—N318—Zn35	123 (2)	N313—C337—C338	120 (3)
C350—N318—Zn35	119.1 (17)	C338—C337—H337	119.8
C380—N328—C379	113 (2)	C339—C338—C337	122 (3)
Zn31^vi—N335—Zn41^vi	20.1 (6)	C339—C338—H338	119.2
C402—N335—Zn31^vi	116.9 (17)	C337—C338—H338	119.2
C402—N335—C401	119 (2)	N301—C305—C304	117 (3)
C402—N335—Zn41^vi	135.9 (19)	N301—C305—H305	121.6
C401—N335—Zn31^vi	124.4 (16)	C304—C305—H305	121.6
C401—N335—Zn41^vi	105.0 (16)	C3A—C2A—H2A	120.7
C361—N321—C360	115.8 (16)	C1A—C2A—C3A	118.7 (15)
C343—N316—C344	111 (2)	C1A—C2A—H2A	120.7
C398—N332—C396	114 (2)	C352—C351—H351	122.2
C325—N310—C326	109.9 (17)	C350—C351—C352	116 (3)
C342—N314—C344	114 (2)	C350—C351—H351	122.2
C373—N325—Zn37	121.1 (18)	C316—C315—H315	120.2
C373—N325—Zn47	135 (2)	C314—C315—C316	120 (3)
C373—N325—Zn57	146 (2)	C314—C315—H315	120.2
C377—N325—Zn37	131 (2)	N305—C311—C310	116 (3)
C377—N325—C373	107 (3)	N305—C311—H311	121.9
C377—N325—Zn47	118 (2)	N305—C311—Zn53^viii	69 (2)
C377—N325—Zn57	106 (2)	C310—C311—H311	121.9
C329—N311—Zn33	121.4 (16)	C310—C311—Zn53^viii	173 (4)
C329—N311—Zn43	118.3 (17)	C303—C302—C301	118 (3)
C329—N311—Zn53	103 (2)	C303—C302—H302	120.9
C330—N311—Zn33	115.1 (17)	C301—C302—H302	120.9
C330—N311—C329	123 (2)	C8A—C9A—H9A	119.6
C330—N311—Zn43	118.5 (18)	C10A—C9A—C8A	120.8 (19)
C330—N311—Zn53	126 (2)	C10A—C9A—H9A	119.6
C325—N309—C324	116.1 (19)	O2A—C14A—H14A	109.5
C355—N319—C359	115.7 (18)	O2A—C14A—H14B	109.5
C355—N319—Zn35	125.6 (15)	O2A—C14A—H14C	109.5
C359—N319—Zn35	118.2 (15)	H14A—C14A—H14B	109.5
C356—C357—C360	117.8 (18)	H14A—C14A—H14C	109.5
C356—C357—C358	119.4 (19)	H14B—C14A—H14C	109.5
C358—C357—C360	122.8 (18)	C11A—C10A—C9A	119 (2)
N315—C343—N316	126.4 (19)	C11A—C10A—H10A	120.7
N315—C343—C345	117.3 (18)	C9A—C10A—H10A	120.7
N316—C343—C345	116 (2)	N313—C341—C340	121 (3)
C390—N330—Zn48	128 (2)	N313—C341—H341	119.5
C390—N330—C386	115 (2)	C340—C341—H341	119.5
C390—N330—Zn38	124 (2)	O3A—C15A—H15A	109.5
C390—N330—Zn58	103 (3)	O3A—C15A—H15B	109.5
C386—N330—Zn48	117.4 (15)	O3A—C15A—H15C	109.5
C386—N330—Zn38	121.2 (15)	H15A—C15A—H15B	109.5
C386—N330—Zn58	142 (3)	H15A—C15A—H15C	109.5
C306—N302—C308	113 (2)	H15B—C15A—H15C	109.5
C301—N301—Zn31	120 (2)	C5A—C13A—H13A	109.0
C301—N301—Zn41	105 (2)	C5A—C13A—H13B	109.0
C305—N301—Zn31	115 (2)	O1A—C13A—C5A	112.9 (17)
C305—N301—C301	124 (3)	O1A—C13A—H13A	109.0
C305—N301—Zn41	131 (3)	O1A—C13A—H13B	109.0
C389—C388—C380	118 (2)	H13A—C13A—H13B	107.8
C387—C388—C380	123 (3)	N330—Zn38—N331	101.5 (9)
C387—C388—C389	119 (2)	N330—Zn38—I315	110.8 (8)
C332—N312—Zn34	123.4 (17)	N330—Zn38—I316	108.1 (8)
C332—N312—Zn44	111.5 (17)	N331—Zn38—I315	102.1 (7)
C336—N312—Zn34	117.0 (19)	N331—Zn38—I316	106.5 (9)
C336—N312—C332	120 (2)	I315—Zn38—I316	124.9 (5)
C336—N312—Zn44	129 (2)	N318—Zn35—N319	101.9 (7)
C371—C370—C362	120.7 (17)	N318—Zn35—I309	106.6 (7)
C369—C370—C362	121.0 (18)	N318—Zn35—I310	108.0 (7)
C369—C370—C371	118.3 (18)	N319—Zn35—I309	107.3 (6)
C398—N334—C397	112 (2)	N319—Zn35—I310	106.7 (7)
C324—N308—C326	112.5 (19)	I309—Zn35—I310	124.23 (16)
N327—C379—N328	127 (2)	N307—Zn42—N306	101.2 (9)
N327—C379—C381	119 (2)	N307—Zn42—I403	105.5 (8)
N328—C379—C381	113 (3)	N307—Zn42—I404	107.3 (9)
N323—C365—H365	119.2	N306—Zn42—I403	107.6 (9)
N323—C365—C364	122 (2)	N306—Zn42—I404	108.9 (9)
C364—C365—H365	119.2	I404—Zn42—I403	123.9 (6)
N320—C360—N321	125.6 (16)	N330—Zn58—I515	101 (4)
N320—C360—C357	116.4 (16)	N331—Zn58—N330	81 (4)
N321—C360—C357	117.8 (16)	N331—Zn58—I515	86 (3)
C365—C364—H364	119.3	I516—Zn58—N330	130 (5)
C363—C364—C365	121.3 (18)	I516—Zn58—N331	109 (4)
C363—C364—H364	119.3	I516—Zn58—I515	128 (5)
N316—C344—C352	115 (2)	N312—Zn44—I407	115.9 (9)
N314—C344—N316	127 (2)	N312—Zn44—I408	99.1 (9)
N314—C344—C352	118 (2)	N313—Zn44—N312	101.4 (10)
C319—N307—Zn32	120.7 (18)	N313—Zn44—I407	111.3 (10)
C319—N307—C323	116 (2)	N313—Zn44—I408	102.1 (10)
C319—N307—Zn42	123.9 (18)	I407—Zn44—I408	123.9 (7)
C323—N307—Zn32	123.2 (17)	N311—Zn43—N305^iv	98.4 (11)
C323—N307—Zn42	119.7 (17)	N311—Zn43—I405	107.7 (11)
C318—N306—Zn32	126 (2)	N311—Zn43—I406	101.9 (10)
C318—N306—C314	119 (3)	N305^iv—Zn43—I405	107.6 (12)
C318—N306—Zn42	122 (2)	N305^iv—Zn43—I406	109.1 (13)
C314—N306—Zn32	115.5 (18)	I405—Zn43—I406	128.1 (10)
C314—N306—Zn42	119.3 (18)	N311—Zn53—N305^iv	84.6 (16)
N324—C368—H368	118.7	N311—Zn53—C311^iv	97.8 (19)
C369—C368—N324	123 (2)	N311—Zn53—I505	120 (2)
C369—C368—H368	118.7	N311—Zn53—I506	89.7 (16)
C324—C321—C320	124 (2)	N305^iv—Zn53—C311^iv	31.8 (12)
C322—C321—C324	122 (2)	N305^iv—Zn53—I505	137 (2)
C322—C321—C320	114 (2)	N305^iv—Zn53—I506	84.2 (16)
N310—C326—C334	111.8 (19)	C311^iv—Zn53—I506	113 (2)
N308—C326—N310	129 (2)	I505—Zn53—I506	127 (2)
N308—C326—C334	119 (2)	N336—Zn49—C383^ii	102 (2)
C348—C349—H349	117.9	N336—Zn49—I418	89.9 (17)
C348—C349—C345	124 (2)	N336—Zn49—I417	114 (2)
C345—C349—H349	117.9	N329^ii—Zn49—N336	96 (2)
N317—C348—H348	120.5	N329^ii—Zn49—C383^ii	32.5 (13)
C349—C348—N317	119 (3)	N329^ii—Zn49—I418	89 (2)
C349—C348—H348	120.5	N329^ii—Zn49—I417	125 (2)
C349—C345—C343	122.0 (19)	C383^ii—Zn49—I418	121 (2)
C346—C345—C343	122 (2)	C383^ii—Zn49—I417	94.8 (19)
C346—C345—C349	116 (2)	I418—Zn49—I417	132 (2)
C385—C381—C379	124 (2)	N335^iii—Zn41—I401	120.6 (12)
C385—C381—C382	117 (2)	N335^iii—Zn41—I402	94.1 (11)
C382—C381—C379	118 (3)	N301—Zn41—N335^iii	100.2 (13)
C395—N331—Zn48	122.5 (16)	N301—Zn41—I401	121.6 (13)
C395—N331—Zn38	125.4 (16)	N301—Zn41—I402	94.8 (10)
C395—N331—Zn58	134 (3)	I401—Zn41—I402	119.5 (11)
C391—N331—Zn48	123.1 (15)	N317^i—Zn46—N323	99.1 (8)
C391—N331—C395	114 (2)	N317^i—Zn46—I411	110.1 (9)
C391—N331—Zn38	120.2 (15)	N317^i—Zn46—I412	109.3 (9)
C391—N331—Zn58	107 (3)	N323—Zn46—I411	110.4 (8)
C337—N313—Zn34	125 (2)	N323—Zn46—I412	103.6 (9)
C337—N313—Zn44	115 (2)	I412—Zn46—I411	121.9 (6)
C341—N313—Zn34	113 (2)	N317^i—Zn56—I511	107 (6)
C341—N313—C337	122 (3)	N317^i—Zn56—I512	105 (5)
C341—N313—Zn44	123 (2)	N323—Zn56—N317^i	93 (4)
N319—C355—H355	116.6	N323—Zn56—I511	108 (5)
N319—C355—C356	127 (2)	N323—Zn56—I512	91 (5)
C356—C355—H355	116.6	I512—Zn56—I511	142 (6)
C384—N329—Zn39^vii	123 (2)	N324—Zn47—I414	103.5 (12)
C384—N329—Zn49^vii	146 (3)	N324—Zn47—I413	107.5 (12)
C383—N329—Zn39^vii	118.2 (19)	N325—Zn47—N324	101.4 (12)
C383—N329—C384	117 (3)	N325—Zn47—I414	112.6 (14)
C383—N329—Zn49^vii	96 (2)	N325—Zn47—I413	116.8 (13)
C403—C399—C397	119.0 (19)	I413—Zn47—I414	113.2 (11)
C403—C399—C400	117 (2)	N324—Zn57—N325	85.7 (16)
C400—C399—C397	124 (2)	N324—Zn57—I514	119.7 (15)
C308—N304—C307	112 (3)	N324—Zn57—I513	95.1 (16)
N333—C397—N334	123.2 (19)	N325—Zn57—I514	136.8 (17)
N333—C397—C399	120.6 (18)	N325—Zn57—I513	81.1 (14)
N334—C397—C399	115.8 (18)	I513—Zn57—I514	125.6 (18)
C364—C363—C361	121.8 (19)	C5B—C4B—C7B	115 (7)
C364—C363—C367	117.7 (19)	C3B—C4B—C5B	121 (3)
C367—C363—C361	120.5 (19)	C3B—C4B—C7B	125 (7)
N322—C362—N320	126.4 (18)	C4B—C5B—C13B	119 (3)
N322—C362—C370	117.2 (17)	C6B—C5B—C4B	120 (3)
N320—C362—C370	116.5 (17)	C6B—C5B—C13B	121 (3)
N318—C354—H354	118.7	C3B—C2B—H2B	119.8
N318—C354—C353	123 (3)	C3B—C2B—C1B	120 (4)
C353—C354—H354	118.7	C1B—C2B—H2B	119.8
C328—C327—C325	123 (2)	C5B—C6B—H6B	120.2
C328—C327—C331	119 (2)	C5B—C6B—C1B	120 (3)
C331—C327—C325	117.9 (18)	C1B—C6B—H6B	120.2
C376—C375—C378	123 (3)	C4B—C3B—C2B	119 (4)
C374—C375—C378	124 (2)	C4B—C3B—H3B	120.4
C374—C375—C376	113 (3)	C2B—C3B—H3B	120.4
N326—C380—C388	117 (2)	C2B—C1B—C6B	120 (3)
N328—C380—N326	123 (2)	C2B—C1B—H1B	119.9
N328—C380—C388	120 (3)	C6B—C1B—H1B	119.9
C354—C353—H353	119.1	C12B—C7B—C4B	122 (10)
C352—C353—C354	122 (2)	C8B—C7B—C4B	118 (10)
C352—C353—H353	119.1	C8B—C7B—C12B	120 (2)
C307—N303—C306	115 (2)	C9B—C10B—H10B	120.1
N312—C332—H332	119.0	C9B—C10B—C11B	120 (3)
N312—C332—C333	122 (2)	C11B—C10B—H10B	120.1
C333—C332—H332	119.0	C5B—C13B—H13C	109.6
C392—C393—C394	114.2 (19)	C5B—C13B—H13D	109.6
C392—C393—C396	121 (2)	H13C—C13B—H13D	108.1
C394—C393—C396	124.4 (19)	O1B—C13B—C5B	110 (3)
N302—C308—C316	115 (2)	O1B—C13B—H13C	109.6
N304—C308—N302	127 (2)	O1B—C13B—H13D	109.6
N304—C308—C316	117 (3)	C10B—C9B—H9B	120.2
C405—C406—C398	120.1 (19)	C8B—C9B—C10B	120 (3)
C405—C406—C407	120.1 (18)	C8B—C9B—H9B	120.2
C407—C406—C398	120 (2)	C11B—C12B—C7B	120 (3)
C304—C303—C306	121 (3)	O3B—C12B—C7B	116 (9)
C302—C303—C306	122 (3)	O3B—C12B—C11B	124 (9)
C302—C303—C304	116 (3)	C10B—C11B—H11B	119.7
C12A—O3A—C15A	116 (2)	C12B—C11B—C10B	121 (3)
N330—C390—H390	116.8	C12B—C11B—H11B	119.7
N330—C390—C389	126 (3)	C13B—O1B—H1BA	109.5
C389—C390—H390	116.8	C12B—O3B—C15B	117 (4)
C388—C389—C390	117 (3)	C8B—O2B—C14B	117 (4)
C388—C389—H389	121.3	C7B—C8B—C9B	121 (3)
C390—C389—H389	121.3	O2B—C8B—C7B	113 (9)
N324—C372—H372	118.5	O2B—C8B—C9B	127 (9)
N324—C372—C371	123 (2)	H80A—C802—H80B	108.0
C371—C372—H372	118.5	C803—C802—H80A	109.4
N315—C342—C339	115 (2)	C803—C802—H80B	109.4
N314—C342—N315	127 (3)	C803—C802—C801	111 (2)
N314—C342—C339	118 (2)	C801—C802—H80A	109.4
N302—C306—N303	126 (3)	C801—C802—H80B	109.4
N302—C306—C303	118 (3)	C802—C803—H80C	109.6
N303—C306—C303	116 (3)	C802—C803—H80D	109.6
N327—C378—N326	125 (3)	C802—C803—C804	110.5 (19)
N327—C378—C375	118 (2)	H80C—C803—H80D	108.1
N326—C378—C375	116 (2)	C804—C803—H80C	109.6
C370—C371—H371	121.9	C804—C803—H80D	109.6
C372—C371—C370	116 (2)	C803—C804—H80E	109.5
C372—C371—H371	121.9	C803—C804—H80F	109.5
N322—C361—C363	117.5 (17)	C803—C804—C805	110.6 (19)
N321—C361—N322	124.5 (17)	H80E—C804—H80F	108.1
N321—C361—C363	117.9 (18)	C805—C804—H80E	109.5
C317—C316—C308	122 (2)	C805—C804—H80F	109.5
C317—C316—C315	117 (3)	C804—C805—H80G	109.5
C315—C316—C308	120 (3)	C804—C805—H80H	109.5
N336—C404—H404	118.5	H80G—C805—H80H	108.1
N336—C404—C405	123 (2)	C806—C805—C804	110.8 (19)
C405—C404—H404	118.5	C806—C805—H80G	109.5
N331—C395—H395	118.1	C806—C805—H80H	109.5
C394—C395—N331	124 (2)	C805—C806—H80I	109.7
C394—C395—H395	118.1	C805—C806—H80J	109.7
N332—C398—N334	127.7 (19)	C805—C806—C801	109.9 (19)
N332—C398—C406	120 (2)	H80I—C806—H80J	108.2
N334—C398—C406	112 (2)	C801—C806—H80I	109.7
N309—C324—C321	116 (2)	C801—C806—H80J	109.7
N308—C324—N309	125 (2)	C802—C801—C806	110.7 (19)
N308—C324—C321	119 (2)	C802—C801—H80K	109.5
N310—C325—C327	113.6 (17)	C802—C801—H80L	109.5
N309—C325—N310	128 (2)	C806—C801—H80K	109.5
N309—C325—C327	118.5 (17)	C806—C801—H80L	109.5
C393—C392—H392	120.4	H80K—C801—H80L	108.1
C393—C392—C391	119 (2)	H82A—C824—H82B	108.0
C391—C392—H392	120.4	C819—C824—H82A	109.3
C388—C387—H387	121.1	C819—C824—H82B	109.3
C388—C387—C386	118 (3)	C823—C824—H82A	109.3
C386—C387—H387	121.1	C823—C824—H82B	109.3
C393—C394—H394	118.9	C823—C824—C819	112 (2)
C395—C394—C393	122 (2)	C824—C819—H81A	109.5
C395—C394—H394	118.9	C824—C819—H81B	109.5
Zn33^viii—N305—Zn43^viii	6.3 (6)	C824—C819—C820	110.6 (19)
Zn33^viii—N305—Zn53^viii	37.5 (12)	H81A—C819—H81B	108.1
C312—N305—Zn33^viii	117 (3)	C820—C819—H81A	109.5
C312—N305—C311	125 (3)	C820—C819—H81B	109.5
C312—N305—Zn43^viii	124 (3)	C819—C820—H82C	109.4
C312—N305—Zn53^viii	155 (3)	C819—C820—H82D	109.4
C311—N305—Zn33^viii	117 (2)	H82C—C820—H82D	108.0
C311—N305—Zn43^viii	111 (2)	C821—C820—C819	111.1 (19)
C311—N305—Zn53^viii	79 (2)	C821—C820—H82C	109.4
C370—C369—H369	119.5	C821—C820—H82D	109.4
C368—C369—C370	121 (2)	C820—C821—H82E	109.3
C368—C369—H369	119.5	C820—C821—H82F	109.3
N329—C384—H384	116.3	H82E—C821—H82F	107.9
N329—C384—C385	127 (3)	C822—C821—C820	111.7 (19)
C385—C384—H384	116.3	C822—C821—H82E	109.3
C8A—O2A—C14A	116 (2)	C822—C821—H82F	109.3
C363—C367—H367	120.3	C821—C822—H82G	109.2
C363—C367—C366	119 (2)	C821—C822—H82H	109.2
C366—C367—H367	120.3	C821—C822—C823	112.2 (19)
C357—C356—C355	116 (2)	H82G—C822—H82H	107.9
C357—C356—H356	122.1	C823—C822—H82G	109.2
C355—C356—H356	122.1	C823—C822—H82H	109.2
N307—C319—H319	117.0	C824—C823—H82I	109.1
N307—C319—C320	126 (3)	C824—C823—H82J	109.1
C320—C319—H319	117.0	C822—C823—C824	112.4 (19)
C399—C403—H403	119.6	C822—C823—H82I	109.1
C399—C403—C402	121 (2)	C822—C823—H82J	109.1
C402—C403—H403	119.6	H82I—C823—H82J	107.9
C327—C328—H328	118.7	O3B—C15B—H15D	109.5
C327—C328—C329	123 (2)	O3B—C15B—H15E	109.5
C329—C328—H328	118.7	O3B—C15B—H15F	109.5
C353—C352—C344	124 (2)	H15D—C15B—H15E	109.5
C353—C352—C351	118 (2)	H15D—C15B—H15F	109.5
C351—C352—C344	118 (3)	H15E—C15B—H15F	109.5
N333—C396—N332	124 (2)	H81C—C818—H81D	107.9
N333—C396—C393	122.0 (18)	C817—C818—H81C	109.2
N332—C396—C393	114.1 (19)	C817—C818—H81D	109.2
N335—C402—C403	121 (2)	C817—C818—C813	112 (2)
N335—C402—H402	119.5	C813—C818—H81C	109.2
C403—C402—H402	119.5	C813—C818—H81D	109.2
C381—C385—H385	121.7	C818—C817—H81E	109.3
C384—C385—C381	117 (3)	C818—C817—H81F	109.3
C384—C385—H385	121.7	C818—C817—C816	111.8 (19)
C309—C313—H313	117.8	H81E—C817—H81F	107.9
C312—C313—H313	117.8	C816—C817—H81E	109.3
C312—C313—C309	124 (3)	C816—C817—H81F	109.3
C321—C322—H322	120.3	C817—C816—H81G	109.5
C323—C322—C321	119 (2)	C817—C816—H81H	109.5
C323—C322—H322	120.3	C817—C816—C815	110.5 (19)
N330—C386—C387	125 (2)	H81G—C816—H81H	108.1
N330—C386—H386	117.7	C815—C816—H81G	109.5
C387—C386—H386	117.7	C815—C816—H81H	109.5
C335—C334—C326	121 (2)	C816—C815—H81I	109.8
C333—C334—C326	123 (2)	C816—C815—H81J	109.8
C333—C334—C335	116 (2)	C816—C815—C814	109.6 (19)
N335—C401—H401	118.6	H81I—C815—H81J	108.2
N335—C401—C400	123 (2)	C814—C815—H81I	109.8
C400—C401—H401	118.6	C814—C815—H81J	109.8
N325—C373—H373	118.9	C815—C814—H81K	109.5
C374—C373—N325	122 (2)	C815—C814—H81L	109.5
C374—C373—H373	118.9	H81K—C814—H81L	108.1
C340—C339—C342	119 (2)	C813—C814—C815	110.8 (19)
C338—C339—C342	122 (2)	C813—C814—H81K	109.5
C338—C339—C340	118 (3)	C813—C814—H81L	109.5
C345—C346—H346	119.7	C818—C813—H81M	109.3
C345—C346—C347	121 (3)	C818—C813—H81N	109.3
C347—C346—H346	119.7	C814—C813—C818	111.4 (19)
C375—C376—H376	118.5	C814—C813—H81M	109.3
C375—C376—C377	123 (3)	C814—C813—H81N	109.3
C377—C376—H376	118.5	H81M—C813—H81N	108.0
C4A—C5A—C13A	119.7 (17)	H81O—C810—H81P	107.8
C6A—C5A—C4A	119.1 (14)	C811—C810—H81O	109.1
C6A—C5A—C13A	121.2 (17)	C811—C810—H81P	109.1
C375—C374—C373	123 (3)	C809—C810—H81O	109.1
C375—C374—H374	118.7	C809—C810—H81P	109.1
C373—C374—H374	118.7	C809—C810—C811	113 (2)
C313—C309—C307	123 (3)	C810—C811—H81Q	109.2
C313—C309—C310	115 (3)	C810—C811—H81R	109.2
C310—C309—C307	122 (3)	H81Q—C811—H81R	107.9
C406—C405—C404	118 (2)	C812—C811—C810	112 (2)
C406—C405—H405	121.1	C812—C811—H81Q	109.2
C404—C405—H405	121.1	C812—C811—H81R	109.2
C12A—C7A—C4A	121 (2)	C811—C812—H81S	109.2
C8A—C7A—C4A	120 (2)	C811—C812—H81T	109.2
C8A—C7A—C12A	118.3 (18)	C811—C812—C807	111.8 (19)
C357—C358—H358	121.0	H81S—C812—H81T	107.9
C357—C358—C359	118 (2)	C807—C812—H81S	109.2
C359—C358—H358	121.0	C807—C812—H81T	109.2
N331—C391—C392	125.5 (19)	C812—C807—H80M	109.3
N331—C391—H391	117.3	C812—C807—H80N	109.3
C392—C391—H391	117.3	H80M—C807—H80N	108.0
N311—C329—C328	117 (2)	C808—C807—C812	112 (2)
N311—C329—H329	121.3	C808—C807—H80M	109.3
C328—C329—H329	121.3	C808—C807—H80N	109.3
C5A—C4A—C7A	120.5 (19)	C807—C808—H80O	109.1
C3A—C4A—C5A	119.9 (15)	C807—C808—H80P	109.1
C3A—C4A—C7A	119.6 (18)	H80O—C808—H80P	107.8
N307—C323—C322	125 (2)	C809—C808—C807	113 (2)
N307—C323—H323	117.3	C809—C808—H80O	109.1
C322—C323—H323	117.3	C809—C808—H80P	109.1
C4A—C3A—H3A	119.5	C810—C809—H80Q	108.8
C4A—C3A—C2A	120.9 (15)	C810—C809—H80R	108.8
C2A—C3A—H3A	119.5	C808—C809—C810	114 (2)
N336—C408—H408	117.0	C808—C809—H80Q	108.8
N336—C408—C407	126 (2)	C808—C809—H80R	108.8
C407—C408—H408	117.0	H80Q—C809—H80R	107.7
N317—C347—C346	121 (3)	O2B—C14B—H14D	109.5
N317—C347—H347	119.5	O2B—C14B—H14E	109.5
C346—C347—H347	119.5	O2B—C14B—H14F	109.5
N323—C366—H366	118.2	H14D—C14B—H14E	109.5
C367—C366—N323	124 (2)	H14D—C14B—H14F	109.5
C367—C366—H366	118.2	H14E—C14B—H14F	109.5
C13A—O1A—H1A	109.5
I314—Zn37—N325—C373	−126.8 (17)	C328—C327—C325—N310	−177 (3)
I314—Zn37—N325—C377	63 (3)	C328—C327—C325—N309	0 (4)
I313—Zn37—N325—C373	4.6 (19)	C328—C327—C331—C330	−1 (5)
I313—Zn37—N325—C377	−165 (3)	C396—N333—C397—N334	−1 (4)
Zn36^v—N317—C348—C349	−174.0 (16)	C396—N333—C397—C399	−174 (3)
Zn36^v—N317—C347—C346	177.1 (19)	C396—N332—C398—N334	4 (4)
Zn36—N323—C365—C364	−172 (2)	C396—N332—C398—C406	178 (2)
Zn36—N323—C366—C367	176 (2)	C396—C393—C392—C391	−179 (3)
Zn39—N336—C404—C405	−171 (2)	C396—C393—C394—C395	178 (3)
Zn39—N336—C408—C407	169 (3)	C402—N335—C401—C400	0 (5)
Zn39^vii—N329—C384—C385	−173 (2)	C385—C381—C382—C383	4 (4)
Zn39^vii—N329—C383—C382	174 (2)	C313—C309—C307—N304	−5 (4)
Zn48—N330—C390—C389	−173.2 (19)	C313—C309—C307—N303	167 (3)
Zn48—N330—C386—C387	173 (2)	C313—C309—C310—C311	−5 (5)
Zn48—N331—C395—C394	170 (3)	C322—C321—C324—N309	−178 (2)
Zn48—N331—C391—C392	−171 (3)	C322—C321—C324—N308	4 (4)
Zn37—N324—C368—C369	178 (3)	C322—C321—C320—C319	−7 (4)
Zn37—N324—C372—C371	−179 (2)	C386—N330—C390—C389	7 (4)
Zn37—N325—C373—C374	178 (2)	C401—N335—C402—C403	−2 (5)
Zn37—N325—C377—C376	179 (3)	C373—N325—C377—C376	8 (5)
Zn32—N307—C319—C320	174 (3)	C373—N325—Zn47—N324	111 (2)
Zn32—N307—C323—C322	−174 (3)	C373—N325—Zn47—I414	−139 (2)
Zn32—N306—C318—C317	180 (2)	C373—N325—Zn47—I413	−5 (3)
Zn32—N306—C314—C315	−176 (4)	C339—C340—C341—N313	4 (7)
Zn31^vi—N335—C402—C403	177 (2)	C376—C375—C378—N327	−163 (3)
Zn31^vi—N335—C401—C400	−180 (3)	C376—C375—C378—N326	28 (4)
Zn31—N301—C301—C302	171 (3)	C376—C375—C374—C373	0 (4)
Zn31—N301—C305—C304	−177 (3)	C5A—C4A—C3A—C2A	4 (5)
Zn33—N311—C329—C328	−169 (2)	C374—C375—C378—N327	15 (4)
Zn33—N311—C330—C331	169 (3)	C374—C375—C378—N326	−154 (3)
Zn33^viii—N305—C312—C313	−174.7 (19)	C374—C375—C376—C377	−3 (5)
Zn33^viii—N305—C311—C310	172 (3)	C309—C313—C312—N305	3 (4)
Zn34—N312—C332—C333	177 (2)	C309—C310—C311—N305	2 (6)
Zn34—N312—C336—C335	−179 (100)	C405—C406—C398—N332	14 (4)
Zn34—N313—C337—C338	175 (4)	C405—C406—C398—N334	−171 (3)
Zn34—N313—C341—C340	−175 (4)	C405—C406—C407—C408	−2 (5)
N327—C379—C381—C385	180 (2)	C7A—C4A—C3A—C2A	−175 (3)
N327—C379—C381—C382	−5 (3)	C7A—C12A—C11A—C10A	0 (3)
N324—Zn37—N325—C373	123.3 (17)	C7A—C8A—C9A—C10A	−1 (3)
N324—Zn37—N325—C377	−46 (3)	C358—C357—C360—N320	5 (4)
N324—C368—C369—C370	3 (5)	C358—C357—C360—N321	−171 (3)
N324—C372—C371—C370	−1 (5)	C358—C357—C356—C355	−2 (4)
N315—C343—C345—C349	167.9 (19)	C391—N331—C395—C394	−11 (5)
N315—C343—C345—C346	−16 (3)	C329—N311—C330—C331	−4 (6)
N315—C342—C339—C340	−167 (3)	C4A—C5A—C6A—C1A	0 (5)
N315—C342—C339—C338	23 (4)	C4A—C5A—C13A—O1A	−160 (3)
N336—C404—C405—C406	4 (5)	C4A—C7A—C12A—O3A	3 (3)
N336—C408—C407—C406	0 (6)	C4A—C7A—C12A—C11A	−178 (3)
N323—C365—C364—C363	−5 (5)	C4A—C7A—C8A—O2A	−2 (3)
N318—C354—C353—C352	−3 (4)	C4A—C7A—C8A—C9A	178 (3)
N318—C350—C351—C352	−4 (6)	C4A—C3A—C2A—C1A	−4 (5)
N328—C379—C381—C385	3 (3)	C323—N307—C319—C320	−2 (5)
N328—C379—C381—C382	178 (2)	C408—N336—C404—C405	−6 (5)
N335—C401—C400—C399	3 (5)	C347—N317—C348—C349	5 (3)
N316—C343—C345—C349	−10 (3)	C366—N323—C365—C364	2 (4)
N316—C343—C345—C346	167 (2)	C400—C399—C397—N333	5 (5)
N316—C344—C352—C353	−25 (3)	C400—C399—C397—N334	−168 (3)
N316—C344—C352—C351	152 (3)	C400—C399—C403—C402	0 (5)
N310—C326—C334—C335	15 (4)	C336—N312—C332—C333	−3 (5)
N310—C326—C334—C333	−173 (3)	C330—N311—C329—C328	4 (5)
N314—C344—C352—C353	159 (2)	C359—N319—C355—C356	2 (5)
N314—C344—C352—C351	−25 (4)	C318—N306—C314—C315	0 (7)
N314—C342—C339—C340	8 (4)	C335—C334—C333—C332	−10 (5)
N314—C342—C339—C338	−162 (3)	C317—C316—C315—C314	6 (6)
N325—C373—C374—C375	7 (4)	C331—C327—C325—N310	3 (4)
N311—C330—C331—C327	2 (6)	C331—C327—C325—N309	−180 (3)
N319—C355—C356—C357	0 (5)	C331—C327—C328—C329	2 (5)
C357—C358—C359—N319	0 (5)	C12A—C7A—C4A—C5A	−74 (4)
C343—N315—C342—N314	3 (3)	C12A—C7A—C4A—C3A	105 (3)
C343—N315—C342—C339	178.0 (16)	C12A—C7A—C8A—O2A	−179 (3)
C343—N316—C344—N314	1 (3)	C12A—C7A—C8A—C9A	1 (3)
C343—N316—C344—C352	−175.8 (19)	C12A—C11A—C10A—C9A	0 (3)
C343—C345—C346—C347	−171 (2)	C307—N304—C308—N302	8 (4)
N330—C390—C389—C388	0 (4)	C307—N304—C308—C316	−177 (2)
N302—C308—C316—C317	164 (3)	C307—N303—C306—N302	5 (4)
N302—C308—C316—C315	−17 (4)	C307—N303—C306—C303	−174 (2)
N301—C301—C302—C303	3 (7)	C307—C309—C310—C311	−176 (3)
C388—C387—C386—N330	0 (4)	C382—C381—C385—C384	−3 (4)
N312—C332—C333—C334	8 (5)	C333—C334—C335—C336	7 (5)
N312—C336—C335—C334	−3 (6)	C320—C321—C324—N309	−3 (4)
N308—C326—C334—C335	−175 (3)	C320—C321—C324—N308	179 (3)
N308—C326—C334—C333	−3 (5)	C320—C321—C322—C323	7 (4)
C379—N327—C378—N326	−7 (3)	C6A—C5A—C4A—C7A	177 (3)
C379—N327—C378—C375	−175 (2)	C6A—C5A—C4A—C3A	−2 (5)
C379—N328—C380—N326	1 (3)	C6A—C5A—C13A—O1A	23 (5)
C379—N328—C380—C388	−174.5 (17)	C6A—C1A—C2A—C3A	2 (5)
C379—C381—C385—C384	172 (2)	C312—N305—C311—C310	4 (5)
C379—C381—C382—C383	−172 (2)	C312—N305—C311—Zn53^viii	−171 (3)
C365—N323—C366—C367	1 (5)	C312—C313—C309—C307	173 (3)
C365—C364—C363—C361	−177 (3)	C312—C313—C309—C310	3 (5)
C365—C364—C363—C367	5 (4)	C377—N325—C373—C374	−10 (3)
C360—N320—C362—N322	6 (4)	C377—N325—Zn47—N324	−70 (2)
C360—N320—C362—C370	−172 (2)	C377—N325—Zn47—I414	40 (2)
C360—N321—C361—N322	1 (4)	C377—N325—Zn47—I413	174 (2)
C360—N321—C361—C363	177 (2)	C301—N301—C305—C304	−8 (6)
C360—C357—C356—C355	177 (2)	C383—N329—C384—C385	−5 (4)
C360—C357—C358—C359	−177 (3)	C340—C339—C338—C337	7 (6)
C364—C363—C361—N322	176 (3)	C350—N318—C354—C353	0 (4)
C364—C363—C361—N321	−1 (4)	C407—C406—C398—N332	−170 (3)
C364—C363—C367—C366	−2 (5)	C407—C406—C398—N334	5 (4)
C344—N316—C343—N315	−2 (3)	C407—C406—C405—C404	0 (5)
C344—N316—C343—C345	175.6 (17)	C304—C303—C306—N302	13 (5)
C344—N314—C342—N315	−4 (3)	C304—C303—C306—N303	−168 (3)
C344—N314—C342—C339	−178.9 (19)	C304—C303—C302—C301	−2 (6)
C344—C352—C351—C350	−176 (3)	C8A—C7A—C4A—C5A	109 (3)
N307—C319—C320—C321	5 (5)	C8A—C7A—C4A—C3A	−72 (3)
N306—C318—C317—C316	−4 (5)	C8A—C7A—C12A—O3A	179 (3)
N306—C314—C315—C316	−5 (8)	C8A—C7A—C12A—C11A	−1 (3)
C368—N324—C372—C371	1 (5)	C8A—C9A—C10A—C11A	0.8 (19)
C321—C322—C323—N307	−4 (5)	C314—N306—C318—C317	4 (5)
C326—N310—C325—N309	4 (4)	C310—C309—C307—N304	165 (3)
C326—N310—C325—C327	−179 (2)	C310—C309—C307—N303	−23 (4)
C326—N308—C324—N309	2 (4)	C337—N313—C341—C340	−3 (7)
C326—N308—C324—C321	−179 (2)	C338—C339—C340—C341	−6 (6)
C326—C334—C335—C336	180 (3)	C305—N301—C301—C302	3 (6)
C326—C334—C333—C332	178 (3)	C2A—C1A—C6A—C5A	−1 (5)
C349—C345—C346—C347	5 (4)	C315—C316—C317—C318	−1 (4)
C348—N317—C347—C346	−2 (4)	C311—N305—C312—C313	−6 (4)
C348—C349—C345—C343	174 (2)	C302—C303—C306—N302	−168 (4)
C348—C349—C345—C346	−2 (3)	C302—C303—C306—N303	11 (5)
C345—C349—C348—N317	−3 (3)	C302—C303—C304—C305	−3 (6)
C345—C346—C347—N317	−3 (4)	C14A—O2A—C8A—C7A	−176 (3)
C381—C382—C383—N329	−5 (5)	C14A—O2A—C8A—C9A	4 (4)
N331—C395—C394—C393	9 (5)	C341—N313—C337—C338	5 (8)
N313—C337—C338—C339	−7 (8)	C15A—O3A—C12A—C7A	−178 (3)
C355—N319—C359—C358	−2 (5)	C15A—O3A—C12A—C11A	2 (5)
N329—C384—C385—C381	4 (4)	C13A—C5A—C4A—C7A	0 (4)
C399—C403—C402—N335	3 (5)	C13A—C5A—C4A—C3A	−179 (3)
N304—C308—C316—C317	−12 (4)	C13A—C5A—C6A—C1A	177 (3)
N304—C308—C316—C315	167 (3)	Zn38—N330—C390—C389	−173.0 (19)
C397—N333—C396—N332	4 (5)	Zn38—N330—C386—C387	172.8 (19)
C397—N333—C396—C393	−175 (3)	Zn38—N331—C395—C394	167 (3)
C397—N334—C398—N332	−2 (4)	Zn38—N331—C391—C392	−168 (3)
C397—N334—C398—C406	−176 (2)	Zn35—N318—C354—C353	−177.5 (16)
C397—C399—C403—C402	180 (3)	Zn35—N318—C350—C351	−179 (3)
C397—C399—C400—C401	178 (3)	Zn35—N319—C355—C356	174 (2)
C363—C367—C366—N323	−1 (5)	Zn35—N319—C359—C358	−174 (3)
C362—N322—C361—N321	0 (4)	Zn42—N307—C319—C320	171 (3)
C362—N322—C361—C363	−177 (2)	Zn42—N307—C323—C322	−172 (3)
C362—N320—C360—N321	−5 (4)	Zn42—N306—C318—C317	−178 (2)
C362—N320—C360—C357	−180 (2)	Zn42—N306—C314—C315	−177 (4)
C362—C370—C371—C372	−176 (3)	Zn58—N330—C390—C389	−179 (3)
C362—C370—C369—C368	175 (3)	Zn58—N330—C386—C387	−178 (4)
C354—N318—C350—C351	4 (5)	Zn58—N331—C395—C394	140 (4)
C354—C353—C352—C344	179 (2)	Zn58—N331—C391—C392	−148 (4)
C354—C353—C352—C351	2 (4)	Zn44—N312—C332—C333	176 (3)
C327—C328—C329—N311	−3 (5)	Zn44—N312—C336—C335	−178 (3)
C375—C376—C377—N325	−2 (6)	Zn44—N313—C337—C338	−176 (4)
C380—N326—C378—N327	5 (3)	Zn44—N313—C341—C340	177 (3)
C380—N326—C378—C375	173.7 (18)	Zn43—N311—C329—C328	−175 (2)
C380—N328—C379—N327	−3 (3)	Zn43—N311—C330—C331	175 (3)
C380—N328—C379—C381	173.5 (17)	Zn43^viii—N305—C312—C313	−174.5 (19)
C380—C388—C389—C390	−180 (2)	Zn43^viii—N305—C311—C310	173 (3)
C380—C388—C387—C386	179 (2)	Zn53—N311—C329—C328	155 (3)
C353—C352—C351—C350	1 (5)	Zn53—N311—C330—C331	−148 (3)
C332—N312—C336—C335	1 (6)	Zn53^viii—N305—C312—C313	−166 (4)
C393—C392—C391—N331	−7 (5)	Zn53^viii—N305—C311—C310	175 (4)
C308—N302—C306—N303	−1 (4)	Zn49—N336—C404—C405	165 (3)
C308—N302—C306—C303	178 (2)	Zn49—N336—C408—C407	−167 (3)
C308—N304—C307—N303	−2 (4)	Zn49^vii—N329—C384—C385	−177 (4)
C308—N304—C307—C309	170 (2)	Zn49^vii—N329—C383—C382	−179 (3)
C308—C316—C317—C318	178 (3)	Zn41^vi—N335—C402—C403	−175 (2)
C308—C316—C315—C314	−173 (4)	Zn41^vi—N335—C401—C400	174 (3)
C303—C304—C305—N301	9 (6)	Zn41—N301—C301—C302	−174 (4)
O3A—C12A—C11A—C10A	−180 (3)	Zn41—N301—C305—C304	168 (3)
C390—N330—C386—C387	−7 (4)	Zn46^v—N317—C348—C349	−174.8 (16)
C389—C388—C380—N326	−177.4 (19)	Zn46^v—N317—C347—C346	177.9 (19)
C389—C388—C380—N328	−2 (3)	Zn46—N323—C365—C364	−174 (2)
C389—C388—C387—C386	7 (3)	Zn46—N323—C366—C367	178 (2)
C372—N324—C368—C369	−2 (5)	Zn56^v—N317—C348—C349	−176.3 (17)
C342—N315—C343—N316	0 (3)	Zn56^v—N317—C347—C346	179 (2)
C342—N315—C343—C345	−177.3 (16)	Zn56—N323—C365—C364	−176 (5)
C342—N314—C344—N316	2 (3)	Zn56—N323—C366—C367	178 (6)
C342—N314—C344—C352	178 (2)	Zn47—N324—C368—C369	−180 (3)
C342—C339—C340—C341	−176 (3)	Zn47—N324—C372—C371	179 (100)
C342—C339—C338—C337	178 (4)	Zn47—N325—C373—C374	169 (2)
C306—N302—C308—N304	−6 (4)	Zn47—N325—C377—C376	−171 (3)
C306—N302—C308—C316	178 (2)	Zn57—N324—C368—C369	−165 (3)
C306—N303—C307—N304	−4 (4)	Zn57—N324—C372—C371	171 (3)
C306—N303—C307—C309	−175 (2)	Zn57—N325—C373—C374	155 (3)
C306—C303—C304—C305	175 (3)	Zn57—N325—C377—C376	−163 (3)
C306—C303—C302—C301	179 (4)	C4B—C5B—C6B—C1B	0 (3)
C378—N327—C379—N328	5 (3)	C4B—C5B—C13B—O1B	−155 (12)
C378—N327—C379—C381	−170.6 (19)	C4B—C7B—C12B—C11B	−170 (9)
C378—N326—C380—N328	−2 (3)	C4B—C7B—C12B—O3B	10 (9)
C378—N326—C380—C388	173.3 (18)	C4B—C7B—C8B—C9B	170 (8)
C378—C375—C376—C377	175 (3)	C4B—C7B—C8B—O2B	−9 (9)
C378—C375—C374—C373	−178 (2)	C5B—C4B—C3B—C2B	0 (3)
C371—C370—C362—N322	13 (4)	C5B—C4B—C7B—C12B	−83 (10)
C371—C370—C362—N320	−169 (2)	C5B—C4B—C7B—C8B	106 (8)
C371—C370—C369—C368	−3 (4)	C5B—C6B—C1B—C2B	0 (4)
C361—N322—C362—N320	−4 (4)	C6B—C5B—C13B—O1B	24 (20)
C361—N322—C362—C370	175 (2)	C3B—C4B—C5B—C6B	0 (2)
C361—N321—C360—N320	2 (4)	C3B—C4B—C5B—C13B	179 (14)
C361—N321—C360—C357	177 (2)	C3B—C4B—C7B—C12B	99 (11)
C361—C363—C367—C366	180 (3)	C3B—C4B—C7B—C8B	−72 (11)
C404—N336—C408—C407	4 (6)	C3B—C2B—C1B—C6B	0 (4)
C395—N331—C391—C392	10 (5)	C1B—C2B—C3B—C4B	0 (3)
C398—N332—C396—N333	−6 (4)	C7B—C4B—C5B—C6B	−178 (13)
C398—N332—C396—C393	174 (2)	C7B—C4B—C5B—C13B	1 (15)
C398—N334—C397—N333	0 (4)	C7B—C4B—C3B—C2B	178 (14)
C398—N334—C397—C399	173 (2)	C7B—C12B—C11B—C10B	−1 (4)
C398—C406—C405—C404	176 (3)	C7B—C12B—O3B—C15B	168 (13)
C398—C406—C407—C408	−178 (3)	C10B—C9B—C8B—C7B	0 (3)
C324—N309—C325—N310	−3 (4)	C10B—C9B—C8B—O2B	180 (4)
C324—N309—C325—C327	180 (2)	C13B—C5B—C6B—C1B	−179 (15)
C324—N308—C326—N310	−1 (4)	C9B—C10B—C11B—C12B	1 (3)
C324—N308—C326—C334	−169 (2)	C12B—C7B—C8B—C9B	0 (3)
C324—C321—C322—C323	−178 (3)	C12B—C7B—C8B—O2B	180 (3)
C324—C321—C320—C319	177 (3)	C11B—C10B—C9B—C8B	0 (2)
C325—N310—C326—N308	−2 (4)	C11B—C12B—O3B—C15B	−13 (14)
C325—N310—C326—C334	167 (2)	O3B—C12B—C11B—C10B	180 (4)
C325—N309—C324—N308	−1 (4)	C8B—C7B—C12B—C11B	1 (4)
C325—N309—C324—C321	−179 (2)	C8B—C7B—C12B—O3B	180 (4)
C325—C327—C328—C329	−178 (3)	C802—C803—C804—C805	56 (4)
C325—C327—C331—C330	179 (3)	C803—C802—C801—C806	57 (5)
C392—C393—C394—C395	−5 (5)	C803—C804—C805—C806	−58 (4)
C392—C393—C396—N333	1 (5)	C804—C805—C806—C801	58 (4)
C392—C393—C396—N332	−178 (3)	C805—C806—C801—C802	−58 (4)
C387—C388—C380—N326	10 (3)	C801—C802—C803—C804	−56 (5)
C387—C388—C380—N328	−174 (2)	C824—C819—C820—C821	57 (4)
C387—C388—C389—C390	−8 (3)	C819—C824—C823—C822	53 (5)
C394—C393—C392—C391	4 (5)	C819—C820—C821—C822	−56 (4)
C394—C393—C396—N333	179 (3)	C820—C821—C822—C823	53 (5)
C394—C393—C396—N332	0 (4)	C821—C822—C823—C824	−52 (5)
C369—C370—C362—N322	−165 (3)	C823—C824—C819—C820	−56 (5)
C369—C370—C362—N320	14 (4)	C818—C817—C816—C815	56 (4)
C369—C370—C371—C372	2 (4)	C817—C818—C813—C814	53 (5)
C384—N329—C383—C382	5 (4)	C817—C816—C815—C814	−59 (4)
C384—N329—C383—Zn49^vii	−176 (3)	C816—C815—C814—C813	59 (4)
O2A—C8A—C9A—C10A	179 (3)	C815—C814—C813—C818	−56 (4)
C367—C363—C361—N322	−5 (4)	C813—C818—C817—C816	−53 (5)
C367—C363—C361—N321	178 (3)	C810—C811—C812—C807	−55 (5)
C356—C357—C360—N320	−175 (2)	C811—C810—C809—C808	−49 (6)
C356—C357—C360—N321	10 (3)	C811—C812—C807—C808	55 (5)
C356—C357—C358—C359	2 (4)	C812—C807—C808—C809	−52 (5)
C319—N307—C323—C322	1 (5)	C807—C808—C809—C810	50 (6)
C403—C399—C397—N333	−175 (3)	C809—C810—C811—C812	51 (6)
C403—C399—C397—N334	12 (4)	C14B—O2B—C8B—C7B	149 (14)
C403—C399—C400—C401	−2 (5)	C14B—O2B—C8B—C9B	−31 (14)

Symmetry codes: (i) x, −y+1, z−1/2; (ii) x, −y+2, z−1/2; (iii) x+1/2, y−3/2, z+1; (iv) x, −y, z−1/2; (v) x, −y+1, z+1/2; (vi) x−1/2, y+3/2, z−1; (vii) x, −y+2, z+1/2; (viii) x, −y, z+1/2.

catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc (4_1_48a)

Crystal data

C36H24I6N12Zn3	F(000) = 5856
Mr = 1582.18	Dx = 1.370 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.4506 (11) Å	Cell parameters from 8081 reflections
b = 15.0594 (4) Å	θ = 2.6–72.8°
c = 30.1018 (14) Å	µ = 20.26 mm^−1
β = 100.834 (4)°	T = 100 K
V = 15338.6 (10) Å^3	Block, colourless
Z = 8	0.28 × 0.14 × 0.06 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	13694 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	9962 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.037
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −41→41
Absorption correction: analytical CrysAlisPro 1.171.41.89a (Rigaku Oxford Diffraction, 2020) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −18→11
Tmin = 0.093, Tmax = 0.398	l = −36→32
40957 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.059	H-atom parameters constrained
wR(F^2) = 0.193	w = 1/[σ^2(Fo^2) + (0.1279P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.07	(Δ/σ)max < 0.001
13694 reflections	Δρmax = 0.70 e Å^−3
622 parameters	Δρmin = −0.82 e Å^−3
21 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. No guests or solvent were identified from the electron density map, SQUEEZE has been applied to address the residual electron density within the pore. SQUEEZE analysis indicated one void with a volume of 883 Ang**3 and an electron count of 232. This is equivalent to 4.88 cyclohexane molecules or 1.80 BBA-8,12-OMe molecules.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I304	0.61605 (5)	0.26103 (9)	0.55594 (8)	0.0842 (3)	0.7754
I303	0.52488 (3)	0.34798 (11)	0.63653 (4)	0.0874 (3)	0.7754
I302	0.88522 (14)	0.26043 (19)	0.92118 (19)	0.217 (3)	0.4845
I306	0.62449 (8)	0.84321 (16)	0.19179 (9)	0.1097 (5)	0.4502
I301	0.84581 (19)	0.4308 (6)	1.0254 (2)	0.244 (4)	0.4845
Zn32	0.57971 (8)	0.37635 (17)	0.59372 (10)	0.0680 (8)	0.7754
I305	0.73029 (7)	0.76606 (14)	0.29124 (9)	0.1113 (6)	0.4502
Zn30	0.8694 (4)	0.4115 (7)	0.9513 (3)	0.127 (4)	0.4845
Zn33	0.66949 (13)	0.8619 (4)	0.26761 (16)	0.0868 (9)	0.4502
N302	0.71913 (12)	0.5517 (2)	0.77513 (18)	0.0760 (13)
N309	0.51772 (14)	0.7681 (3)	0.47414 (16)	0.0754 (12)
N308	0.56982 (15)	0.7227 (3)	0.43903 (19)	0.0794 (14)
N304	0.68151 (14)	0.6790 (3)	0.7502 (2)	0.0838 (15)
N310	0.53501 (15)	0.8569 (3)	0.4163 (2)	0.0831 (15)
N303	0.73308 (14)	0.6883 (3)	0.8145 (2)	0.0826 (14)
N307	0.56242 (14)	0.4773 (3)	0.54758 (18)	0.0762 (12)
N306	0.62077 (13)	0.4490 (3)	0.63909 (18)	0.0757 (12)
N311	0.41673 (18)	1.0123 (4)	0.4536 (3)	0.1014 (19)
C321	0.54982 (16)	0.6283 (4)	0.4950 (2)	0.0726 (14)
N301	0.82664 (15)	0.4713 (3)	0.9040 (2)	0.106 (2)
C326	0.48037 (17)	0.9019 (4)	0.4498 (3)	0.0822 (18)
C303	0.76879 (16)	0.5562 (4)	0.8422 (2)	0.0847 (18)
C316	0.66710 (14)	0.5423 (3)	0.7092 (2)	0.0698 (14)
C308	0.69055 (15)	0.5936 (3)	0.7474 (2)	0.0732 (15)
N305	0.6859 (2)	1.0035 (3)	0.7786 (3)	0.112 (2)
C320	0.52590 (16)	0.6102 (4)	0.5262 (2)	0.0765 (16)
H320	0.505130	0.649279	0.530048	0.092*
C323	0.54505 (17)	0.7125 (4)	0.4675 (2)	0.0750 (15)
C307	0.70498 (17)	0.7243 (4)	0.7829 (3)	0.0828 (17)
C306	0.73863 (15)	0.6015 (3)	0.8087 (2)	0.0746 (15)
C319	0.53317 (16)	0.5344 (4)	0.5513 (2)	0.0747 (14)
H319	0.516705	0.521308	0.572423	0.090*
C324	0.51303 (17)	0.8394 (4)	0.4465 (2)	0.0764 (16)
C314	0.64979 (18)	0.4098 (4)	0.6682 (2)	0.0865 (18)
H314	0.654446	0.348370	0.664434	0.104*
C315	0.67318 (17)	0.4537 (4)	0.7032 (2)	0.0870 (18)
H315	0.693404	0.422854	0.723137	0.104*
C325	0.56364 (18)	0.7968 (4)	0.4141 (2)	0.0810 (16)
C333	0.5898 (2)	0.8133 (4)	0.3816 (2)	0.0877 (18)
N312	0.6399 (2)	0.8440 (4)	0.3222 (3)	0.113 (2)
C328	0.43212 (19)	0.9626 (4)	0.4895 (3)	0.094 (2)
H328	0.421302	0.964844	0.516277	0.113*
C309	0.69837 (18)	0.8218 (4)	0.7833 (3)	0.0875 (18)
C327	0.46450 (19)	0.9071 (4)	0.4871 (3)	0.092 (2)
H327	0.475459	0.872223	0.512721	0.110*
C5	0.5838 (2)	0.4937 (5)	0.5160 (3)	0.101 (2)
H5	0.603354	0.451625	0.511752	0.121*
C304	0.7758 (2)	0.4678 (4)	0.8396 (3)	0.112 (3)
H304	0.760463	0.433720	0.816074	0.134*
C302	0.79203 (19)	0.6019 (4)	0.8772 (3)	0.095 (2)
H302	0.788882	0.664059	0.880515	0.114*
C322	0.5791 (2)	0.5695 (5)	0.4886 (3)	0.101 (2)
H322	0.595249	0.579988	0.466787	0.121*
C301	0.8200 (2)	0.5553 (4)	0.9073 (3)	0.107 (3)
H301	0.835188	0.586949	0.931870	0.129*
C334	0.5811 (3)	0.8751 (6)	0.3479 (4)	0.116 (3)
H334	0.556867	0.907016	0.343875	0.139*
C329	0.4317 (3)	1.0036 (7)	0.4170 (4)	0.141 (4)
H329	0.419254	1.035683	0.391015	0.169*
C305	0.8041 (2)	0.4281 (4)	0.8698 (4)	0.146 (5)
H305	0.808247	0.366224	0.866723	0.175*
C317	0.6395 (2)	0.5837 (4)	0.6777 (3)	0.125 (3)
H317	0.635760	0.646090	0.679249	0.150*
C310	0.7217 (2)	0.8770 (4)	0.8123 (4)	0.124 (3)
H310	0.742875	0.854634	0.834294	0.149*
C311	0.7135 (3)	0.9687 (6)	0.8087 (5)	0.149 (5)
H311	0.729232	1.007365	0.829614	0.179*
C330	0.4639 (3)	0.9520 (7)	0.4128 (4)	0.136 (4)
H330	0.474282	0.951155	0.385646	0.163*
C332	0.6238 (3)	0.7676 (5)	0.3850 (4)	0.120 (3)
H332	0.630846	0.723992	0.407891	0.144*
C318	0.6172 (2)	0.5358 (4)	0.6439 (3)	0.118 (3)
H318	0.597977	0.566398	0.622522	0.142*
C335	0.6072 (4)	0.8903 (6)	0.3204 (5)	0.140 (4)
H335	0.601700	0.936608	0.298680	0.168*
C331	0.6485 (3)	0.7852 (6)	0.3544 (4)	0.126 (3)
H331	0.672598	0.753203	0.357087	0.151*
C312	0.6649 (4)	0.9503 (5)	0.7517 (4)	0.151 (4)
H312	0.644102	0.975332	0.730047	0.182*
C313	0.6693 (3)	0.8609 (5)	0.7509 (3)	0.123 (3)
H313	0.652864	0.825745	0.728681	0.148*
I402	0.88146 (9)	0.26138 (19)	0.9182 (2)	0.172 (2)	0.4554
Zn41	0.8660 (4)	0.4056 (6)	0.9551 (3)	0.114 (3)	0.4554
I401	0.84266 (17)	0.4370 (3)	1.02848 (18)	0.1530 (19)	0.4554
I405	0.74594 (8)	0.78179 (14)	0.31706 (13)	0.1957 (14)	0.5168
Zn43	0.68263 (16)	0.8591 (3)	0.28260 (19)	0.1385 (18)	0.5168
I406	0.64305 (12)	0.82621 (17)	0.20314 (11)	0.2107 (16)	0.5168
I505	0.7621 (4)	0.8065 (11)	0.3546 (4)	0.080*	0.0329
I506	0.6789 (4)	0.7936 (9)	0.2298 (5)	0.080*	0.0329
Zn53	0.6986 (9)	0.862 (2)	0.3111 (10)	0.080*	0.0329
I502	0.8972 (4)	0.2657 (8)	0.8922 (3)	0.080*	0.06
I501	0.8537 (4)	0.4014 (7)	1.0087 (4)	0.080*	0.06
Zn51	0.8775 (8)	0.3996 (18)	0.9324 (7)	0.080*	0.06
I404	0.6270 (2)	0.2787 (4)	0.5541 (4)	0.102 (2)	0.1768
Zn42	0.5830 (4)	0.3770 (6)	0.5915 (4)	0.103 (8)	0.1768
I403	0.5240 (4)	0.3461 (8)	0.6277 (4)	0.209 (6)	0.1768
I504	0.6041 (3)	0.2601 (7)	0.5781 (4)	0.080*	0.0478
I503	0.5149 (7)	0.3726 (12)	0.6400 (7)	0.080*	0.0478
Zn52	0.5679 (9)	0.3868 (18)	0.6088 (9)	0.080*	0.0478

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I304	0.0882 (6)	0.0447 (7)	0.1120 (5)	0.0043 (4)	−0.0010 (5)	−0.0018 (6)
I303	0.0803 (5)	0.0864 (6)	0.0885 (5)	−0.0169 (4)	−0.0020 (4)	−0.0077 (4)
I302	0.210 (4)	0.0507 (12)	0.298 (5)	0.0173 (12)	−0.189 (4)	−0.0137 (16)
I306	0.1496 (12)	0.0586 (6)	0.1099 (9)	−0.0125 (7)	−0.0036 (8)	−0.0069 (6)
I301	0.100 (3)	0.385 (7)	0.216 (5)	−0.064 (3)	−0.048 (3)	0.197 (5)
Zn32	0.0636 (9)	0.0556 (15)	0.0750 (13)	−0.0015 (8)	−0.0117 (9)	0.0012 (9)
I305	0.1131 (11)	0.0496 (7)	0.1722 (15)	0.0150 (6)	0.0293 (9)	0.0230 (7)
Zn30	0.085 (4)	0.090 (4)	0.173 (6)	−0.039 (3)	−0.065 (4)	0.068 (4)
Zn33	0.0929 (14)	0.0414 (13)	0.119 (2)	−0.0030 (10)	0.0015 (13)	0.0059 (12)
N302	0.064 (2)	0.0338 (18)	0.112 (3)	−0.0079 (17)	−0.028 (2)	0.004 (2)
N309	0.080 (3)	0.049 (2)	0.082 (3)	0.009 (2)	−0.025 (2)	0.000 (2)
N308	0.083 (3)	0.053 (2)	0.088 (3)	0.006 (2)	−0.020 (3)	0.002 (2)
N304	0.078 (3)	0.036 (2)	0.118 (4)	−0.0029 (19)	−0.030 (3)	0.002 (2)
N310	0.081 (3)	0.055 (3)	0.096 (3)	−0.003 (2)	−0.029 (3)	0.012 (2)
N303	0.076 (3)	0.041 (2)	0.114 (4)	−0.0074 (19)	−0.024 (2)	−0.006 (2)
N307	0.076 (3)	0.067 (3)	0.078 (3)	0.007 (2)	−0.006 (2)	−0.001 (2)
N306	0.069 (2)	0.043 (2)	0.100 (3)	−0.0012 (18)	−0.023 (2)	0.008 (2)
N311	0.085 (3)	0.072 (3)	0.126 (5)	0.017 (3)	−0.035 (3)	−0.010 (3)
C321	0.066 (3)	0.053 (3)	0.087 (3)	0.006 (2)	−0.017 (3)	0.006 (2)
N301	0.080 (3)	0.053 (3)	0.155 (5)	−0.018 (2)	−0.054 (3)	0.026 (3)
C326	0.072 (3)	0.051 (3)	0.105 (5)	0.002 (2)	−0.031 (3)	0.001 (3)
C303	0.068 (3)	0.049 (3)	0.117 (5)	−0.014 (2)	−0.033 (3)	0.008 (3)
C316	0.058 (2)	0.038 (2)	0.100 (4)	−0.0074 (19)	−0.020 (2)	−0.002 (2)
C308	0.063 (3)	0.033 (2)	0.109 (4)	−0.0029 (19)	−0.020 (3)	0.001 (2)
N305	0.123 (5)	0.041 (3)	0.172 (7)	0.011 (3)	0.030 (5)	0.014 (3)
C320	0.068 (3)	0.055 (3)	0.093 (4)	0.003 (2)	−0.018 (3)	−0.003 (3)
C323	0.074 (3)	0.061 (3)	0.079 (3)	0.005 (3)	−0.012 (3)	0.007 (3)
C307	0.070 (3)	0.045 (3)	0.120 (5)	−0.004 (2)	−0.017 (3)	0.003 (3)
C306	0.066 (3)	0.041 (2)	0.104 (4)	−0.005 (2)	−0.015 (3)	0.002 (2)
C319	0.064 (3)	0.066 (3)	0.084 (3)	0.006 (2)	−0.011 (2)	0.003 (3)
C324	0.067 (3)	0.056 (3)	0.092 (4)	−0.006 (2)	−0.023 (3)	−0.002 (3)
C314	0.091 (4)	0.044 (3)	0.103 (4)	0.003 (3)	−0.035 (3)	−0.003 (3)
C315	0.079 (3)	0.050 (3)	0.112 (4)	0.013 (2)	−0.034 (3)	0.000 (3)
C325	0.084 (3)	0.062 (3)	0.087 (4)	0.001 (3)	−0.012 (3)	0.006 (3)
C333	0.096 (4)	0.063 (3)	0.092 (4)	−0.002 (3)	−0.011 (3)	−0.001 (3)
N312	0.145 (6)	0.051 (3)	0.149 (6)	−0.004 (3)	0.038 (5)	0.007 (3)
C328	0.080 (3)	0.059 (3)	0.126 (5)	0.007 (3)	−0.028 (3)	−0.004 (3)
C309	0.080 (3)	0.045 (3)	0.128 (5)	0.005 (3)	−0.005 (3)	−0.004 (3)
C327	0.081 (3)	0.070 (4)	0.105 (5)	0.017 (3)	−0.029 (3)	−0.001 (3)
C5	0.110 (5)	0.071 (4)	0.114 (5)	0.040 (4)	0.003 (4)	0.018 (4)
C304	0.093 (4)	0.048 (3)	0.158 (7)	−0.010 (3)	−0.069 (4)	−0.001 (3)
C302	0.089 (4)	0.053 (3)	0.119 (5)	−0.010 (3)	−0.041 (3)	0.013 (3)
C322	0.118 (5)	0.083 (4)	0.102 (5)	0.034 (4)	0.019 (4)	0.016 (4)
C301	0.094 (4)	0.064 (4)	0.133 (6)	−0.024 (3)	−0.060 (4)	0.022 (4)
C334	0.107 (5)	0.101 (6)	0.141 (7)	0.009 (4)	0.024 (5)	0.042 (5)
C329	0.120 (6)	0.118 (7)	0.160 (9)	0.064 (6)	−0.037 (6)	0.041 (6)
C305	0.124 (5)	0.044 (3)	0.218 (10)	−0.016 (3)	−0.100 (6)	0.029 (4)
C317	0.123 (5)	0.049 (3)	0.162 (7)	−0.002 (3)	−0.081 (5)	0.006 (4)
C310	0.113 (5)	0.047 (3)	0.185 (9)	−0.004 (3)	−0.041 (5)	−0.022 (4)
C311	0.124 (7)	0.060 (4)	0.254 (14)	−0.024 (5)	0.013 (8)	−0.040 (6)
C330	0.122 (6)	0.140 (8)	0.135 (7)	0.061 (6)	−0.003 (5)	0.046 (6)
C332	0.152 (8)	0.076 (5)	0.132 (7)	0.027 (5)	0.031 (6)	0.020 (4)
C318	0.112 (5)	0.052 (3)	0.153 (7)	0.004 (3)	−0.074 (5)	−0.002 (4)
C335	0.161 (9)	0.076 (5)	0.182 (11)	0.010 (6)	0.032 (8)	0.028 (6)
C331	0.138 (7)	0.081 (5)	0.167 (9)	0.016 (5)	0.049 (7)	0.002 (6)
C312	0.192 (10)	0.050 (4)	0.186 (10)	0.016 (5)	−0.031 (8)	−0.013 (5)
C313	0.150 (7)	0.053 (3)	0.141 (7)	0.020 (4)	−0.038 (6)	−0.010 (4)
I402	0.0947 (11)	0.0658 (15)	0.308 (5)	−0.0135 (8)	−0.0837 (19)	0.0522 (18)
Zn41	0.082 (3)	0.063 (2)	0.164 (6)	−0.023 (3)	−0.058 (3)	0.032 (4)
I401	0.111 (3)	0.188 (3)	0.138 (3)	−0.043 (2)	−0.033 (2)	0.072 (2)
I405	0.199 (3)	0.0668 (11)	0.362 (4)	0.0547 (14)	0.157 (3)	0.0797 (19)
Zn43	0.201 (6)	0.0347 (12)	0.202 (5)	−0.013 (3)	0.094 (4)	−0.002 (3)
I406	0.360 (5)	0.1032 (17)	0.203 (3)	−0.120 (2)	0.140 (3)	−0.0706 (17)
I404	0.139 (6)	0.036 (2)	0.115 (3)	−0.001 (2)	−0.018 (4)	0.0065 (17)
Zn42	0.139 (12)	0.020 (4)	0.114 (10)	−0.001 (4)	−0.066 (8)	0.005 (4)
I403	0.244 (9)	0.144 (6)	0.182 (8)	−0.128 (6)	−0.105 (6)	0.053 (5)

Geometric parameters (Å, º)

I304—Zn32	2.532 (3)	C307—C309	1.487 (8)
I303—Zn32	2.515 (3)	C319—H319	0.9500
I302—Zn30	2.546 (9)	C314—H314	0.9500
I306—Zn33	2.522 (4)	C314—C315	1.370 (8)
I301—Zn30	2.528 (10)	C315—H315	0.9500
Zn32—N307	2.069 (5)	C325—C333	1.471 (10)
Zn32—N306	2.082 (5)	C333—C334	1.368 (11)
I305—Zn33	2.533 (5)	C333—C332	1.345 (11)
Zn30—N311^i	1.985 (15)	N312—C335	1.319 (13)
Zn30—N301	2.055 (10)	N312—C331	1.305 (13)
Zn33—N305^ii	2.113 (8)	N312—Zn43	2.072 (9)
Zn33—N312	2.106 (10)	N312—Zn53	2.13 (3)
N302—C308	1.325 (6)	C328—H328	0.9500
N302—C306	1.334 (7)	C328—C327	1.407 (10)
N309—C323	1.303 (8)	C309—C310	1.354 (10)
N309—C324	1.350 (8)	C309—C313	1.392 (10)
N308—C323	1.326 (9)	C327—H327	0.9500
N308—C325	1.340 (8)	C5—H5	0.9500
N304—C308	1.330 (7)	C5—C322	1.398 (10)
N304—C307	1.336 (8)	C304—H304	0.9500
N310—C324	1.315 (9)	C304—C305	1.342 (9)
N310—C325	1.349 (8)	C302—H302	0.9500
N303—C307	1.338 (8)	C302—C301	1.382 (8)
N303—C306	1.338 (7)	C322—H322	0.9500
N307—C319	1.345 (8)	C301—H301	0.9500
N307—C5	1.332 (10)	C334—H334	0.9500
N307—Zn42	2.044 (12)	C334—C335	1.353 (14)
N307—Zn52	2.27 (3)	C329—H329	0.9500
N306—C314	1.337 (7)	C329—C330	1.382 (14)
N306—C318	1.324 (8)	C329—Zn51^iii	2.48 (3)
N306—Zn42	2.054 (12)	C305—H305	0.9500
N306—Zn52	2.10 (3)	C317—H317	0.9500
N311—C328	1.339 (10)	C317—C318	1.360 (9)
N311—C329	1.308 (13)	C310—H310	0.9500
N311—Zn41^iii	2.148 (16)	C310—C311	1.410 (12)
N311—Zn51^iii	1.92 (3)	C311—H311	0.9500
C321—C320	1.389 (9)	C330—H330	0.9500
C321—C323	1.507 (8)	C332—H332	0.9500
C321—C322	1.384 (9)	C332—C331	1.392 (13)
N301—C301	1.294 (9)	C318—H318	0.9500
N301—C305	1.336 (10)	C335—H335	0.9500
N301—Zn41	2.098 (9)	C331—H331	0.9500
N301—Zn51	2.10 (3)	C312—H312	0.9500
C326—C324	1.485 (9)	C312—C313	1.356 (10)
C326—C327	1.341 (11)	C313—H313	0.9500
C326—C330	1.377 (10)	I402—Zn41	2.540 (8)
C303—C306	1.472 (7)	Zn41—I401	2.534 (10)
C303—C304	1.357 (9)	I405—Zn43	2.517 (6)
C303—C302	1.380 (8)	Zn43—I406	2.569 (7)
C316—C308	1.491 (7)	I505—Zn53	2.47 (3)
C316—C315	1.368 (7)	I506—Zn53	2.62 (3)
C316—C317	1.364 (8)	I502—Zn51	2.51 (2)
N305—C311	1.295 (14)	I501—Zn51	2.58 (3)
N305—C312	1.266 (13)	I404—Zn42	2.527 (13)
N305—Zn43^iv	2.077 (7)	Zn42—I403	2.527 (14)
N305—Zn53^iv	2.26 (4)	I504—Zn52	2.55 (3)
C320—H320	0.9500	I503—Zn52	2.22 (3)
C320—C319	1.364 (8)
I303—Zn32—I304	126.58 (11)	C331—N312—Zn33	126.3 (7)
N307—Zn32—I304	107.8 (2)	C331—N312—C335	117.5 (9)
N307—Zn32—I303	108.62 (19)	C331—N312—Zn43	114.6 (7)
N307—Zn32—N306	97.4 (2)	C331—N312—Zn53	96.5 (11)
N306—Zn32—I304	108.82 (18)	N311—C328—H328	120.4
N306—Zn32—I303	103.7 (2)	N311—C328—C327	119.2 (8)
I301—Zn30—I302	122.9 (5)	C327—C328—H328	120.4
N311^i—Zn30—I302	107.4 (5)	C310—C309—C307	122.5 (6)
N311^i—Zn30—I301	107.5 (5)	C310—C309—C313	117.1 (6)
N311^i—Zn30—N301	104.4 (5)	C313—C309—C307	120.2 (6)
N301—Zn30—I302	108.5 (4)	C326—C327—C328	122.0 (7)
N301—Zn30—I301	104.7 (5)	C326—C327—H327	119.0
I306—Zn33—I305	121.7 (2)	C328—C327—H327	119.0
N305^ii—Zn33—I306	110.4 (3)	N307—C5—H5	118.2
N305^ii—Zn33—I305	108.7 (3)	N307—C5—C322	123.6 (6)
N312—Zn33—I306	112.7 (3)	C322—C5—H5	118.2
N312—Zn33—I305	101.7 (3)	C303—C304—H304	119.6
N312—Zn33—N305^ii	98.9 (4)	C305—C304—C303	120.8 (6)
C308—N302—C306	114.7 (4)	C305—C304—H304	119.6
C323—N309—C324	114.9 (6)	C303—C302—H302	120.7
C323—N308—C325	113.8 (5)	C303—C302—C301	118.7 (6)
C308—N304—C307	115.1 (4)	C301—C302—H302	120.7
C324—N310—C325	114.8 (5)	C321—C322—C5	116.6 (7)
C306—N303—C307	113.9 (5)	C321—C322—H322	121.7
C319—N307—Zn32	122.7 (5)	C5—C322—H322	121.7
C319—N307—Zn42	126.5 (6)	N301—C301—C302	123.8 (6)
C319—N307—Zn52	105.5 (8)	N301—C301—H301	118.1
C5—N307—Zn32	119.2 (4)	C302—C301—H301	118.1
C5—N307—C319	117.6 (5)	C333—C334—H334	120.4
C5—N307—Zn42	115.3 (5)	C335—C334—C333	119.3 (8)
C5—N307—Zn52	135.9 (8)	C335—C334—H334	120.4
C314—N306—Zn32	122.0 (3)	N311—C329—H329	117.1
C314—N306—Zn42	121.5 (4)	N311—C329—C330	125.8 (8)
C314—N306—Zn52	124.7 (8)	N311—C329—Zn51^iii	49.8 (6)
C318—N306—Zn32	121.6 (4)	C330—C329—H329	117.1
C318—N306—C314	116.0 (5)	C330—C329—Zn51^iii	174.2 (11)
C318—N306—Zn42	122.5 (4)	N301—C305—C304	123.2 (6)
C318—N306—Zn52	113.4 (8)	N301—C305—H305	118.4
Zn30^iii—N311—Zn41^iii	3.1 (5)	C304—C305—H305	118.4
C328—N311—Zn30^iii	123.3 (7)	C316—C317—H317	120.0
C328—N311—Zn41^iii	120.4 (7)	C318—C317—C316	120.0 (6)
C328—N311—Zn51^iii	143.5 (10)	C318—C317—H317	120.0
C329—N311—Zn30^iii	118.6 (6)	C309—C310—H310	121.2
C329—N311—C328	117.7 (6)	C309—C310—C311	117.7 (8)
C329—N311—Zn41^iii	121.7 (6)	C311—C310—H310	121.2
C329—N311—Zn51^iii	98.8 (8)	N305—C311—C310	124.2 (9)
C320—C321—C323	121.4 (5)	N305—C311—H311	117.9
C322—C321—C320	120.6 (6)	C310—C311—H311	117.9
C322—C321—C323	118.0 (6)	C326—C330—C329	116.7 (10)
C301—N301—Zn30	119.3 (5)	C326—C330—H330	121.7
C301—N301—C305	116.7 (5)	C329—C330—H330	121.7
C301—N301—Zn41	120.3 (5)	C333—C332—H332	120.5
C301—N301—Zn51	128.2 (8)	C333—C332—C331	118.9 (8)
C305—N301—Zn30	124.0 (5)	C331—C332—H332	120.5
C305—N301—Zn41	122.5 (5)	N306—C318—C317	123.6 (6)
C305—N301—Zn51	112.6 (8)	N306—C318—H318	118.2
C327—C326—C324	121.8 (6)	C317—C318—H318	118.2
C327—C326—C330	118.4 (7)	N312—C335—C334	123.2 (9)
C330—C326—C324	119.6 (8)	N312—C335—H335	118.4
C304—C303—C306	121.6 (5)	C334—C335—H335	118.4
C304—C303—C302	116.7 (5)	N312—C331—C332	122.7 (9)
C302—C303—C306	121.7 (5)	N312—C331—H331	118.7
C315—C316—C308	122.2 (4)	C332—C331—H331	118.7
C317—C316—C308	120.4 (5)	N305—C312—H312	117.0
C317—C316—C315	117.3 (5)	N305—C312—C313	126.0 (10)
N302—C308—N304	125.2 (5)	C313—C312—H312	117.0
N302—C308—C316	118.0 (4)	C309—C313—H313	120.8
N304—C308—C316	116.8 (4)	C312—C313—C309	118.4 (8)
Zn33^iv—N305—Zn53^iv	39.7 (8)	C312—C313—H313	120.8
C311—N305—Zn33^iv	129.6 (6)	N311^i—Zn41—I402	104.2 (5)
C311—N305—Zn43^iv	113.8 (6)	N311^i—Zn41—I401	107.6 (4)
C311—N305—Zn53^iv	90.2 (10)	N301—Zn41—N311^i	97.5 (5)
C312—N305—Zn33^iv	113.8 (7)	N301—Zn41—I402	104.0 (4)
C312—N305—C311	116.6 (7)	N301—Zn41—I401	106.5 (5)
C312—N305—Zn43^iv	129.6 (7)	I401—Zn41—I402	131.9 (5)
C312—N305—Zn53^iv	152.5 (10)	N305^ii—Zn43—I405	115.6 (3)
C321—C320—H320	121.1	N305^ii—Zn43—I406	99.4 (3)
C319—C320—C321	117.9 (5)	N312—Zn43—N305^ii	101.2 (3)
C319—C320—H320	121.1	N312—Zn43—I405	111.5 (3)
N309—C323—N308	126.6 (5)	N312—Zn43—I406	101.8 (3)
N309—C323—C321	117.5 (6)	I405—Zn43—I406	124.2 (2)
N308—C323—C321	115.8 (5)	N305^ii—Zn53—I505	127.7 (15)
N304—C307—N303	125.0 (5)	N305^ii—Zn53—I506	87.3 (10)
N304—C307—C309	115.9 (5)	N312—Zn53—N305^ii	93.9 (13)
N303—C307—C309	119.0 (5)	N312—Zn53—I505	130.3 (15)
N302—C306—N303	125.7 (5)	N312—Zn53—I506	90.6 (11)
N302—C306—C303	116.7 (5)	I505—Zn53—I506	114.3 (13)
N303—C306—C303	117.6 (5)	N311^i—Zn51—N301	105.2 (12)
N307—C319—C320	123.5 (6)	N311^i—Zn51—C329^i	31.4 (5)
N307—C319—H319	118.2	N311^i—Zn51—I502	118.7 (12)
C320—C319—H319	118.2	N311^i—Zn51—I501	91.0 (9)
N309—C324—C326	117.8 (7)	N301—Zn51—C329^i	102.8 (11)
N310—C324—N309	124.7 (6)	N301—Zn51—I502	119.8 (11)
N310—C324—C326	117.5 (6)	N301—Zn51—I501	88.7 (8)
N306—C314—H314	118.3	C329^i—Zn51—I502	95.8 (9)
N306—C314—C315	123.5 (5)	C329^i—Zn51—I501	122.4 (10)
C315—C314—H314	118.3	I502—Zn51—I501	126.7 (12)
C316—C315—C314	119.3 (5)	N307—Zn42—N306	99.1 (4)
C316—C315—H315	120.4	N307—Zn42—I404	108.0 (6)
C314—C315—H315	120.4	N307—Zn42—I403	101.8 (6)
N308—C325—N310	124.9 (7)	N306—Zn42—I404	105.5 (6)
N308—C325—C333	117.4 (6)	N306—Zn42—I403	104.5 (6)
N310—C325—C333	117.7 (6)	I404—Zn42—I403	133.1 (5)
C334—C333—C325	122.0 (7)	N307—Zn52—I504	97.3 (11)
C332—C333—C325	119.8 (7)	N306—Zn52—N307	91.1 (12)
C332—C333—C334	118.2 (8)	N306—Zn52—I504	92.8 (11)
C335—N312—Zn33	115.8 (7)	N306—Zn52—I503	125.1 (14)
C335—N312—Zn43	127.8 (7)	I503—Zn52—N307	116.9 (13)
C335—N312—Zn53	139.3 (11)	I503—Zn52—I504	125.5 (13)
Zn32—N307—C319—C320	168.0 (4)	C325—N308—C323—N309	−3.2 (8)
Zn32—N307—C5—C322	−168.0 (7)	C325—N308—C323—C321	177.8 (5)
Zn32—N306—C314—C315	−168.9 (6)	C325—N310—C324—N309	0.4 (8)
Zn32—N306—C318—C317	169.4 (9)	C325—N310—C324—C326	−178.6 (5)
Zn30^iii—N311—C328—C327	176.7 (5)	C325—C333—C334—C335	176.8 (9)
Zn30^iii—N311—C329—C330	−178.7 (10)	C325—C333—C332—C331	−178.9 (8)
Zn30—N301—C301—C302	179.8 (8)	C333—C334—C335—N312	4.9 (17)
Zn30—N301—C305—C304	178.8 (10)	C333—C332—C331—N312	−0.6 (16)
Zn33^iv—N305—C311—C310	−179.5 (8)	C328—N311—C329—C330	−4.7 (16)
Zn33^iv—N305—C312—C313	179.1 (11)	C328—N311—C329—Zn51^iii	−179.8 (11)
Zn33—N312—C335—C334	167.7 (10)	C309—C310—C311—N305	−2.1 (18)
Zn33—N312—C331—C332	−169.1 (8)	C327—C326—C324—N309	22.1 (8)
N308—C325—C333—C334	165.3 (7)	C327—C326—C324—N310	−158.8 (6)
N308—C325—C333—C332	−15.6 (10)	C327—C326—C330—C329	−0.7 (14)
N304—C307—C309—C310	−175.2 (9)	C5—N307—C319—C320	−3.8 (9)
N304—C307—C309—C313	−0.3 (11)	C304—C303—C306—N302	−1.4 (11)
N310—C325—C333—C334	−14.1 (10)	C304—C303—C306—N303	178.5 (7)
N310—C325—C333—C332	165.0 (7)	C304—C303—C302—C301	−1.2 (12)
N303—C307—C309—C310	5.3 (12)	C302—C303—C306—N302	176.9 (7)
N303—C307—C309—C313	−179.8 (8)	C302—C303—C306—N303	−3.2 (10)
N307—C5—C322—C321	−1.4 (12)	C302—C303—C304—C305	−0.1 (14)
N306—C314—C315—C316	−0.2 (12)	C322—C321—C320—C319	2.2 (9)
N311—C328—C327—C326	−0.4 (10)	C322—C321—C323—N309	−179.1 (6)
N311—C329—C330—C326	3.6 (18)	C322—C321—C323—N308	0.1 (8)
C321—C320—C319—N307	0.7 (8)	C301—N301—C305—C304	0.4 (17)
C303—C304—C305—N301	0.5 (18)	C334—C333—C332—C331	0.2 (14)
C303—C302—C301—N301	2.2 (14)	C329—N311—C328—C327	2.9 (11)
C316—C317—C318—N306	−0.6 (17)	C305—N301—C301—C302	−1.8 (14)
C308—N302—C306—N303	−4.0 (10)	C317—C316—C308—N302	−174.8 (8)
C308—N302—C306—C303	175.8 (6)	C317—C316—C308—N304	3.7 (10)
C308—N304—C307—N303	−7.3 (11)	C317—C316—C315—C314	−4.4 (11)
C308—N304—C307—C309	173.2 (6)	C310—C309—C313—C312	−3.1 (16)
C308—C316—C315—C314	178.0 (7)	C311—N305—C312—C313	−2 (2)
C308—C316—C317—C318	−177.5 (9)	C330—C326—C324—N309	−153.6 (7)
N305—C312—C313—C309	3 (2)	C330—C326—C324—N310	25.5 (9)
C320—C321—C323—N309	0.3 (8)	C330—C326—C327—C328	−0.7 (11)
C320—C321—C323—N308	179.5 (5)	C332—C333—C334—C335	−2.2 (14)
C320—C321—C322—C5	−1.9 (11)	C318—N306—C314—C315	4.4 (12)
C323—N309—C324—N310	−3.6 (8)	C335—N312—C331—C332	2.9 (16)
C323—N309—C324—C326	175.4 (5)	C331—N312—C335—C334	−5.1 (17)
C323—N308—C325—N310	−0.6 (8)	C312—N305—C311—C310	1.4 (18)
C323—N308—C325—C333	−179.9 (5)	C313—C309—C310—C311	2.9 (15)
C323—C321—C320—C319	−177.2 (5)	Zn41^iii—N311—C328—C327	177.8 (5)
C323—C321—C322—C5	177.5 (7)	Zn41^iii—N311—C329—C330	−179.5 (10)
C307—N304—C308—N302	3.0 (10)	Zn41—N301—C301—C302	−174.2 (8)
C307—N304—C308—C316	−175.3 (6)	Zn41—N301—C305—C304	172.6 (10)
C307—N303—C306—N302	0.4 (10)	Zn43^iv—N305—C311—C310	−179.2 (9)
C307—N303—C306—C303	−179.5 (6)	Zn43^iv—N305—C312—C313	179.0 (10)
C307—C309—C310—C311	177.9 (9)	Zn43—N312—C335—C334	180.0 (9)
C307—C309—C313—C312	−178.3 (10)	Zn43—N312—C331—C332	178.5 (8)
C306—N302—C308—N304	2.2 (10)	Zn53^iv—N305—C311—C310	174.9 (14)
C306—N302—C308—C316	−179.5 (6)	Zn53^iv—N305—C312—C313	−168 (2)
C306—N303—C307—N304	5.7 (10)	Zn53—N312—C335—C334	−148.2 (15)
C306—N303—C307—C309	−174.8 (6)	Zn53—N312—C331—C332	159.7 (13)
C306—C303—C304—C305	178.3 (9)	Zn51^iii—N311—C328—C327	−176.8 (14)
C306—C303—C302—C301	−179.5 (7)	Zn51^iii—N311—C329—C330	175.1 (13)
C319—N307—C5—C322	4.2 (11)	Zn51—N301—C301—C302	158.9 (10)
C324—N309—C323—N308	5.2 (8)	Zn51—N301—C305—C304	−163.2 (12)
C324—N309—C323—C321	−175.8 (5)	Zn42—N307—C319—C320	166.5 (6)
C324—N310—C325—N308	1.8 (8)	Zn42—N307—C5—C322	−167.3 (8)
C324—N310—C325—C333	−178.9 (5)	Zn42—N306—C314—C315	−173.5 (8)
C324—C326—C327—C328	−176.4 (5)	Zn42—N306—C318—C317	173.9 (10)
C324—C326—C330—C329	175.1 (8)	Zn52—N307—C319—C320	166.5 (9)
C314—N306—C318—C317	−4.0 (14)	Zn52—N307—C5—C322	−162.4 (11)
C315—C316—C308—N302	2.7 (10)	Zn52—N306—C314—C315	−146.6 (11)
C315—C316—C308—N304	−178.8 (7)	Zn52—N306—C318—C317	150.3 (13)
C315—C316—C317—C318	4.9 (14)

Symmetry codes: (i) x+1/2, −y+3/2, z+1/2; (ii) x, −y+2, z−1/2; (iii) x−1/2, −y+3/2, z−1/2; (iv) x, −y+2, z+1/2.

catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc (4_1_48b)

Crystal data

C36H24I6N12Zn3	F(000) = 5856
Mr = 1582.18	Dx = 1.420 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.1537 (11) Å	Cell parameters from 6545 reflections
b = 15.1026 (3) Å	θ = 3.1–69.3°
c = 29.0899 (12) Å	µ = 21.00 mm^−1
β = 99.542 (4)°	T = 100 K
V = 14797.2 (8) Å^3	Block, colourless
Z = 8	0.13 × 0.08 × 0.03 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	13452 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	7748 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.050
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −41→36
Absorption correction: analytical CrysAlisPro 1.171.41.122a (Rigaku Oxford Diffraction, 2021) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −18→9
Tmin = 0.216, Tmax = 0.578	l = −31→35
47702 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.057	H-atom parameters constrained
wR(F^2) = 0.177	w = 1/[σ^2(Fo^2) + (0.104P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 0.99	(Δ/σ)max = 0.001
13452 reflections	Δρmax = 0.87 e Å^−3
606 parameters	Δρmin = −0.45 e Å^−3
22 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. No guests or solvent were identified from the electron density map, SQUEEZE has been applied to address the residual electron density within the pore. SQUEEZE analysis indicated one void with a volume of 820 Ang**3 and an electron count of 180. This is equivalent to 3.75 cyclohexane molecules or 1.38 BBA-8,12-OMe molecules.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I403	0.6110 (3)	1.2380 (3)	0.0606 (4)	0.165 (3)	0.315 (13)
I404	0.5199 (4)	1.1593 (5)	0.1465 (3)	0.230 (5)	0.315 (13)
I301	0.88313 (13)	1.23931 (16)	0.42315 (18)	0.1644 (19)	0.5463
I306	0.62783 (6)	0.34752 (8)	0.19090 (6)	0.1221 (7)	0.560 (6)
I305	0.73097 (7)	0.27269 (9)	0.29874 (8)	0.1252 (7)	0.560 (6)
Zn42	0.5751 (4)	1.1253 (6)	0.1027 (5)	0.129 (5)	0.315 (13)
I302	0.84070 (10)	1.07473 (16)	0.53489 (13)	0.1721 (13)	0.5463
Zn31	0.8665 (2)	1.0940 (3)	0.4592 (2)	0.122 (2)	0.5463
Zn33	0.67030 (9)	0.36519 (17)	0.26991 (12)	0.0923 (9)	0.560 (6)
N312	0.55910 (17)	−0.0265 (3)	0.5501 (2)	0.0768 (16)
N309	0.5315 (2)	0.3555 (3)	0.4202 (3)	0.0915 (19)
N308	0.56426 (18)	0.2206 (3)	0.4396 (2)	0.0871 (18)
N302	0.73190 (16)	0.8115 (3)	0.3190 (2)	0.0877 (18)
N310	0.51212 (16)	0.2644 (3)	0.4792 (2)	0.0877 (18)
N304	0.68188 (15)	0.8216 (3)	0.2523 (2)	0.0877 (18)
N305	0.62015 (16)	1.0530 (3)	0.1413 (2)	0.0889 (18)
N303	0.71819 (15)	0.9493 (3)	0.2795 (2)	0.094 (2)
N311	0.4127 (2)	0.5120 (4)	0.4648 (4)	0.116 (3)
N306	0.6860 (3)	0.4983 (3)	0.2811 (3)	0.125 (3)
C335	0.5227 (2)	0.1052 (4)	0.5309 (3)	0.082 (2)
H335	0.501997	0.144036	0.536208	0.098*
C334	0.5451 (2)	0.1239 (4)	0.4974 (3)	0.081 (2)
C326	0.5400 (2)	0.2091 (4)	0.4705 (3)	0.079 (2)
C325	0.5091 (2)	0.3381 (4)	0.4510 (3)	0.089 (2)
N301	0.82311 (18)	1.0286 (3)	0.4142 (3)	0.118 (3)
C327	0.4761 (2)	0.4004 (4)	0.4571 (4)	0.096 (3)
C308	0.70444 (19)	0.7759 (3)	0.2861 (3)	0.083 (2)
C324	0.5591 (2)	0.2953 (4)	0.4154 (3)	0.087 (2)
N307	0.6373 (3)	0.3456 (4)	0.3222 (3)	0.129 (3)
C307	0.69000 (18)	0.9070 (3)	0.2503 (3)	0.082 (2)
C309	0.66770 (19)	0.9584 (3)	0.2117 (3)	0.090 (2)
C336	0.53052 (19)	0.0284 (4)	0.5572 (2)	0.0786 (19)
H336	0.515113	0.015149	0.580662	0.094*
C306	0.73724 (18)	0.8989 (3)	0.3145 (3)	0.089 (2)
C331	0.4611 (3)	0.4060 (5)	0.4962 (4)	0.107 (3)
H331	0.471771	0.371385	0.522528	0.129*
C316	0.6988 (2)	0.6799 (3)	0.2860 (3)	0.089 (2)
C332	0.5796 (2)	−0.0101 (4)	0.5164 (3)	0.093 (2)
H332	0.599042	−0.051552	0.510390	0.111*
C321	0.5846 (3)	0.3133 (4)	0.3833 (3)	0.098 (2)
C311	0.6486 (2)	1.0933 (4)	0.1709 (3)	0.114 (3)
H311	0.652565	1.155052	0.167669	0.136*
C333	0.5737 (2)	0.0653 (4)	0.4899 (3)	0.093 (2)
H333	0.589381	0.076523	0.466431	0.112*
C330	0.4294 (2)	0.4631 (4)	0.4982 (3)	0.116 (3)
H330	0.419376	0.465942	0.526794	0.139*
C329	0.4286 (3)	0.5070 (7)	0.4259 (6)	0.153 (5)
H329	0.416771	0.542204	0.400216	0.183*
C314	0.7130 (3)	0.5337 (5)	0.3150 (4)	0.122 (3)
H314	0.727941	0.495999	0.337486	0.146*
C305	0.8177 (2)	0.9437 (4)	0.4161 (3)	0.121 (3)
H305	0.833513	0.911032	0.440235	0.146*
C303	0.7670 (2)	0.9442 (4)	0.3493 (3)	0.102 (3)
C315	0.7195 (3)	0.6254 (4)	0.3176 (4)	0.121 (3)
H315	0.738601	0.649142	0.341857	0.145*
C310	0.6723 (2)	1.0479 (4)	0.2059 (3)	0.113 (3)
H310	0.692219	1.078873	0.226465	0.136*
C304	0.7900 (2)	0.8986 (4)	0.3844 (3)	0.106 (3)
H304	0.787060	0.836333	0.387054	0.127*
C320	0.5791 (4)	0.3798 (6)	0.3491 (4)	0.132 (4)
H320	0.555916	0.415522	0.346118	0.158*
C313	0.6407 (3)	0.9183 (4)	0.1787 (3)	0.129 (4)
H313	0.637255	0.855895	0.179272	0.155*
C319	0.6054 (4)	0.3946 (6)	0.3208 (4)	0.132 (4)
H319	0.600934	0.441925	0.298996	0.158*
C301	0.8014 (3)	1.0736 (4)	0.3789 (4)	0.157 (5)
H301	0.806471	1.134977	0.375706	0.188*
C322	0.6187 (4)	0.2623 (6)	0.3834 (4)	0.130 (4)
H322	0.623841	0.214097	0.404541	0.156*
C302	0.7723 (2)	1.0344 (4)	0.3476 (3)	0.127 (4)
H302	0.755971	1.068984	0.324773	0.152*
C318	0.6671 (4)	0.5507 (5)	0.2505 (4)	0.168 (5)
H318	0.648772	0.525716	0.225743	0.201*
C323	0.6436 (4)	0.2797 (5)	0.3550 (5)	0.142 (4)
H323	0.667060	0.245227	0.357276	0.170*
C312	0.6184 (3)	0.9685 (4)	0.1444 (3)	0.132 (4)
H312	0.600365	0.938149	0.121282	0.158*
C328	0.4608 (3)	0.4551 (6)	0.4195 (4)	0.144 (4)
H328	0.471652	0.456528	0.391480	0.173*
C317	0.6719 (3)	0.6425 (4)	0.2516 (4)	0.155 (5)
H317	0.656631	0.678591	0.228633	0.186*
I303	0.61901 (8)	1.23638 (10)	0.05328 (6)	0.0905 (7)	0.685 (13)
Zn32	0.58058 (11)	1.12842 (17)	0.09533 (15)	0.0675 (8)	0.685 (13)
I304	0.52665 (5)	1.16175 (8)	0.14331 (6)	0.0929 (9)	0.685 (13)
I401	0.87118 (17)	1.2370 (3)	0.4445 (3)	0.187 (3)	0.4141
Zn41	0.8580 (3)	1.0822 (6)	0.4731 (3)	0.126 (3)	0.4141
I402	0.83606 (12)	1.0298 (2)	0.54844 (15)	0.1528 (13)	0.4141
I501	0.9049 (4)	1.2345 (8)	0.3953 (5)	0.080*	0.0396
Zn51	0.8804 (11)	1.104 (2)	0.4363 (10)	0.080*	0.0396
I502	0.8508 (4)	1.1233 (9)	0.5111 (5)	0.080*	0.0396
I405	0.7526 (2)	0.2879 (2)	0.3266 (4)	0.234 (4)	0.440 (6)
Zn43	0.6892 (3)	0.3599 (3)	0.2872 (3)	0.156 (3)	0.440 (6)
I406	0.6572 (4)	0.3207 (4)	0.2055 (2)	0.278 (5)	0.440 (6)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I403	0.115 (3)	0.0672 (18)	0.286 (8)	0.0210 (17)	−0.043 (3)	0.026 (2)
I404	0.227 (7)	0.253 (9)	0.178 (6)	0.108 (6)	−0.058 (4)	0.001 (4)
I301	0.1279 (18)	0.0425 (6)	0.274 (5)	0.0005 (8)	−0.110 (2)	−0.0146 (12)
I306	0.1839 (15)	0.0564 (6)	0.1099 (9)	−0.0163 (7)	−0.0232 (9)	−0.0133 (5)
I305	0.1261 (12)	0.0568 (5)	0.1889 (16)	0.0180 (6)	0.0151 (10)	0.0388 (6)
Zn42	0.126 (7)	0.094 (5)	0.137 (8)	0.017 (4)	−0.071 (5)	−0.007 (4)
I302	0.1400 (18)	0.1473 (19)	0.196 (3)	0.0300 (17)	−0.0695 (17)	−0.0597 (18)
Zn31	0.085 (4)	0.0546 (14)	0.190 (5)	0.0193 (17)	−0.083 (3)	−0.039 (3)
Zn33	0.1193 (17)	0.0357 (8)	0.1112 (19)	−0.0059 (8)	−0.0127 (13)	0.0042 (9)
N312	0.068 (3)	0.060 (3)	0.089 (4)	0.004 (2)	−0.026 (3)	−0.001 (3)
N309	0.093 (4)	0.061 (3)	0.103 (5)	−0.013 (3)	−0.035 (4)	0.009 (3)
N308	0.078 (4)	0.067 (3)	0.102 (5)	−0.008 (3)	−0.028 (3)	0.006 (3)
N302	0.086 (3)	0.048 (2)	0.110 (4)	0.004 (2)	−0.040 (3)	−0.005 (2)
N310	0.085 (3)	0.059 (3)	0.099 (4)	0.007 (3)	−0.043 (3)	−0.003 (3)
N304	0.082 (3)	0.044 (2)	0.117 (4)	0.005 (2)	−0.043 (3)	−0.007 (2)
N305	0.086 (3)	0.045 (2)	0.117 (4)	0.007 (2)	−0.038 (3)	−0.006 (2)
N303	0.083 (3)	0.043 (2)	0.131 (5)	0.007 (2)	−0.054 (3)	−0.005 (2)
N311	0.087 (5)	0.071 (3)	0.160 (7)	0.018 (3)	−0.067 (5)	−0.014 (4)
N306	0.187 (7)	0.040 (3)	0.142 (6)	−0.013 (4)	0.007 (6)	0.001 (3)
C335	0.073 (4)	0.054 (3)	0.101 (5)	0.007 (3)	−0.037 (4)	−0.004 (3)
C334	0.070 (4)	0.062 (3)	0.095 (5)	−0.005 (3)	−0.031 (4)	0.004 (3)
C326	0.071 (4)	0.054 (3)	0.097 (5)	0.003 (3)	−0.034 (4)	−0.001 (3)
C325	0.081 (5)	0.055 (3)	0.107 (6)	−0.001 (3)	−0.049 (4)	0.002 (3)
N301	0.093 (4)	0.064 (3)	0.166 (6)	0.016 (3)	−0.070 (4)	−0.031 (3)
C327	0.090 (5)	0.047 (3)	0.128 (7)	0.000 (3)	−0.046 (5)	0.005 (4)
C308	0.076 (4)	0.045 (3)	0.116 (5)	0.002 (3)	−0.023 (4)	−0.001 (3)
C324	0.089 (5)	0.060 (3)	0.095 (5)	0.000 (3)	−0.033 (4)	0.003 (3)
N307	0.191 (8)	0.057 (3)	0.136 (7)	−0.025 (4)	0.021 (6)	−0.006 (4)
C307	0.078 (4)	0.042 (3)	0.111 (5)	0.001 (2)	−0.029 (4)	−0.004 (3)
C309	0.079 (4)	0.039 (2)	0.132 (6)	0.008 (2)	−0.045 (4)	−0.010 (3)
C336	0.071 (4)	0.064 (3)	0.089 (5)	−0.008 (3)	−0.021 (3)	0.001 (3)
C306	0.073 (4)	0.038 (2)	0.134 (6)	0.008 (2)	−0.050 (4)	−0.007 (3)
C331	0.102 (6)	0.069 (4)	0.130 (8)	0.016 (4)	−0.047 (5)	0.002 (4)
C316	0.102 (5)	0.040 (3)	0.113 (5)	0.001 (3)	−0.017 (4)	0.003 (3)
C332	0.086 (5)	0.064 (4)	0.121 (7)	0.023 (3)	−0.006 (5)	0.007 (4)
C321	0.111 (6)	0.060 (4)	0.108 (6)	−0.013 (4)	−0.023 (5)	0.000 (4)
C311	0.114 (5)	0.046 (3)	0.150 (7)	−0.006 (3)	−0.069 (5)	0.004 (3)
C333	0.096 (5)	0.065 (4)	0.113 (6)	0.015 (3)	−0.001 (4)	0.011 (3)
C330	0.103 (5)	0.064 (4)	0.153 (8)	0.019 (4)	−0.059 (5)	−0.026 (4)
C329	0.128 (9)	0.103 (6)	0.198 (13)	0.044 (6)	−0.062 (9)	0.040 (8)
C314	0.127 (7)	0.053 (4)	0.172 (9)	0.012 (4)	−0.013 (6)	0.012 (5)
C305	0.116 (6)	0.062 (4)	0.155 (8)	0.031 (4)	−0.068 (5)	−0.014 (4)
C303	0.090 (4)	0.047 (3)	0.145 (7)	0.006 (3)	−0.052 (4)	−0.010 (3)
C315	0.117 (6)	0.049 (3)	0.174 (9)	0.001 (3)	−0.042 (6)	0.002 (4)
C310	0.117 (6)	0.061 (3)	0.134 (7)	−0.011 (4)	−0.060 (5)	0.004 (4)
C304	0.109 (5)	0.052 (3)	0.129 (6)	0.018 (3)	−0.061 (5)	−0.014 (3)
C320	0.145 (8)	0.090 (6)	0.148 (9)	−0.001 (5)	−0.013 (7)	0.040 (6)
C313	0.143 (7)	0.048 (3)	0.160 (8)	−0.009 (4)	−0.082 (6)	−0.004 (4)
C319	0.167 (10)	0.084 (6)	0.142 (9)	−0.006 (6)	0.016 (8)	0.033 (6)
C301	0.117 (6)	0.059 (4)	0.246 (12)	0.015 (4)	−0.114 (7)	−0.024 (5)
C322	0.167 (10)	0.078 (5)	0.152 (10)	0.007 (6)	0.044 (8)	0.031 (5)
C302	0.109 (5)	0.052 (3)	0.182 (9)	0.005 (3)	−0.086 (6)	−0.009 (4)
C318	0.273 (14)	0.057 (4)	0.146 (9)	−0.040 (6)	−0.044 (9)	−0.001 (5)
C323	0.188 (11)	0.067 (5)	0.174 (11)	0.021 (6)	0.041 (9)	0.022 (6)
C312	0.147 (7)	0.047 (3)	0.162 (8)	−0.009 (4)	−0.091 (6)	0.008 (4)
C328	0.117 (7)	0.116 (6)	0.180 (10)	0.032 (5)	−0.030 (6)	0.057 (7)
C317	0.221 (11)	0.047 (3)	0.157 (8)	−0.033 (5)	−0.089 (8)	0.011 (4)
I303	0.1074 (10)	0.0458 (5)	0.1102 (14)	−0.0184 (6)	−0.0062 (7)	−0.0007 (5)
Zn32	0.0702 (13)	0.0371 (10)	0.0834 (14)	0.0022 (7)	−0.0214 (10)	−0.0009 (7)
I304	0.0908 (11)	0.0886 (10)	0.0889 (10)	0.0240 (6)	−0.0159 (6)	0.0040 (5)
I401	0.155 (4)	0.0826 (14)	0.265 (6)	0.0037 (16)	−0.134 (4)	−0.028 (2)
Zn41	0.090 (4)	0.100 (4)	0.165 (5)	0.017 (2)	−0.049 (3)	−0.035 (3)
I402	0.1117 (14)	0.161 (3)	0.168 (3)	0.017 (2)	−0.0289 (15)	−0.072 (2)
I405	0.240 (5)	0.0805 (14)	0.419 (9)	0.064 (2)	0.163 (6)	0.096 (3)
Zn43	0.277 (8)	0.0455 (14)	0.158 (5)	−0.020 (3)	0.071 (5)	−0.005 (2)
I406	0.537 (13)	0.142 (3)	0.184 (4)	−0.185 (6)	0.147 (6)	−0.088 (3)

Geometric parameters (Å, º)

I403—Zn42	2.530 (10)	C307—C309	1.470 (9)
I404—Zn42	2.498 (12)	C309—C310	1.374 (9)
I301—Zn31	2.538 (6)	C309—C313	1.358 (9)
I306—Zn33	2.521 (3)	C336—H336	0.9500
I305—Zn33	2.524 (3)	C306—C303	1.479 (8)
Zn42—N312^i	2.143 (13)	C331—H331	0.9500
Zn42—N305	2.061 (10)	C331—C330	1.392 (11)
I302—Zn31	2.519 (8)	C316—C315	1.343 (10)
Zn31—N311^ii	1.992 (9)	C316—C317	1.363 (10)
Zn31—N301	2.059 (7)	C332—H332	0.9500
Zn33—N306	2.093 (6)	C332—C333	1.372 (10)
Zn33—N307	2.057 (10)	C321—C320	1.403 (12)
N312—C336	1.323 (9)	C321—C322	1.393 (13)
N312—C332	1.318 (10)	C311—H311	0.9500
N312—Zn32^iii	2.079 (6)	C311—C310	1.376 (9)
N309—C325	1.299 (10)	C333—H333	0.9500
N309—C324	1.334 (10)	C330—H330	0.9500
N308—C326	1.331 (9)	C329—H329	0.9500
N308—C324	1.325 (9)	C329—C328	1.387 (16)
N302—C308	1.337 (8)	C329—Zn51^iv	2.26 (4)
N302—C306	1.343 (7)	C314—H314	0.9500
N310—C326	1.324 (9)	C314—C315	1.403 (10)
N310—C325	1.377 (9)	C305—H305	0.9500
N304—C308	1.336 (8)	C305—C304	1.385 (9)
N304—C307	1.322 (7)	C303—C304	1.367 (9)
N305—C311	1.332 (8)	C303—C302	1.375 (9)
N305—C312	1.283 (8)	C315—H315	0.9500
N305—Zn32	2.077 (6)	C310—H310	0.9500
N303—C307	1.337 (7)	C304—H304	0.9500
N303—C306	1.348 (8)	C320—H320	0.9500
N311—C330	1.278 (11)	C320—C319	1.336 (14)
N311—C329	1.336 (15)	C313—H313	0.9500
N311—Zn41^iv	2.195 (15)	C313—C312	1.379 (10)
N311—Zn51^iv	1.88 (4)	C319—H319	0.9500
N306—C314	1.343 (12)	C301—H301	0.9500
N306—C318	1.283 (13)	C301—C302	1.367 (9)
N306—Zn43	2.099 (7)	C322—H322	0.9500
C335—H335	0.9500	C322—C323	1.307 (14)
C335—C334	1.368 (10)	C302—H302	0.9500
C335—C336	1.390 (9)	C318—H318	0.9500
C334—C326	1.500 (9)	C318—C317	1.396 (10)
C334—C333	1.361 (10)	C323—H323	0.9500
C325—C327	1.498 (11)	C312—H312	0.9500
N301—C305	1.298 (9)	C328—H328	0.9500
N301—C301	1.346 (10)	C317—H317	0.9500
N301—Zn41	2.082 (10)	I303—Zn32	2.532 (4)
N301—Zn51	2.26 (4)	Zn32—I304	2.539 (4)
C327—C331	1.327 (12)	I401—Zn41	2.546 (9)
C327—C328	1.402 (12)	Zn41—I402	2.558 (10)
C308—C316	1.462 (8)	I501—Zn51	2.52 (2)
C324—C321	1.408 (12)	Zn51—I502	2.56 (2)
N307—C319	1.312 (13)	I405—Zn43	2.522 (7)
N307—C323	1.373 (13)	Zn43—I406	2.516 (7)
N307—Zn43	2.196 (12)
I404—Zn42—I403	125.2 (5)	N312—C332—H332	119.1
N312^i—Zn42—I403	102.1 (5)	N312—C332—C333	121.8 (7)
N312^i—Zn42—I404	112.5 (5)	C333—C332—H332	119.1
N305—Zn42—I403	104.0 (5)	C320—C321—C324	125.7 (9)
N305—Zn42—I404	112.9 (6)	C322—C321—C324	119.9 (8)
N305—Zn42—N312^i	95.7 (5)	C322—C321—C320	114.4 (10)
I302—Zn31—I301	126.6 (3)	N305—C311—H311	119.0
N311^ii—Zn31—I301	110.0 (5)	N305—C311—C310	121.9 (6)
N311^ii—Zn31—I302	104.2 (4)	C310—C311—H311	119.0
N311^ii—Zn31—N301	103.3 (3)	C334—C333—C332	119.5 (8)
N301—Zn31—I301	109.8 (3)	C334—C333—H333	120.2
N301—Zn31—I302	100.5 (4)	C332—C333—H333	120.2
I306—Zn33—I305	124.12 (15)	N311—C330—C331	125.2 (11)
N306—Zn33—I306	109.7 (3)	N311—C330—H330	117.4
N306—Zn33—I305	107.7 (3)	C331—C330—H330	117.4
N307—Zn33—I306	110.8 (3)	N311—C329—H329	117.0
N307—Zn33—I305	101.2 (3)	N311—C329—C328	125.9 (9)
N307—Zn33—N306	100.4 (3)	N311—C329—Zn51^iv	56.1 (8)
C336—N312—Zn42^iii	115.6 (7)	C328—C329—H329	117.0
C336—N312—Zn32^iii	123.8 (6)	C328—C329—Zn51^iv	174.1 (12)
C332—N312—Zn42^iii	123.9 (6)	N306—C314—H314	119.5
C332—N312—C336	119.7 (6)	N306—C314—C315	121.0 (8)
C332—N312—Zn32^iii	115.8 (5)	C315—C314—H314	119.5
Zn32^iii—N312—Zn42^iii	8.3 (4)	N301—C305—H305	118.5
C325—N309—C324	116.2 (6)	N301—C305—C304	122.9 (6)
C324—N308—C326	115.3 (7)	C304—C305—H305	118.5
C308—N302—C306	114.6 (5)	C304—C303—C306	121.5 (5)
C326—N310—C325	112.5 (8)	C304—C303—C302	117.6 (6)
C307—N304—C308	115.8 (5)	C302—C303—C306	120.8 (6)
C311—N305—Zn42	120.6 (5)	C316—C315—C314	120.6 (8)
C311—N305—Zn32	119.5 (4)	C316—C315—H315	119.7
C312—N305—Zn42	121.7 (5)	C314—C315—H315	119.7
C312—N305—C311	116.5 (5)	C309—C310—C311	121.0 (6)
C312—N305—Zn32	123.9 (4)	C309—C310—H310	119.5
C307—N303—C306	114.6 (5)	C311—C310—H310	119.5
Zn31^iv—N311—Zn41^iv	14.4 (4)	C305—C304—H304	120.2
C330—N311—Zn31^iv	131.9 (10)	C303—C304—C305	119.5 (6)
C330—N311—C329	114.9 (8)	C303—C304—H304	120.2
C330—N311—Zn41^iv	118.4 (9)	C321—C320—H320	119.0
C330—N311—Zn51^iv	156.6 (12)	C319—C320—C321	122.1 (10)
C329—N311—Zn31^iv	113.2 (7)	C319—C320—H320	119.0
C329—N311—Zn41^iv	126.3 (7)	C309—C313—H313	120.1
C329—N311—Zn51^iv	87.7 (9)	C309—C313—C312	119.7 (6)
C314—N306—Zn33	128.6 (6)	C312—C313—H313	120.1
C314—N306—Zn43	108.3 (6)	N307—C319—C320	121.8 (9)
C318—N306—Zn33	113.4 (6)	N307—C319—H319	119.1
C318—N306—C314	118.0 (6)	C320—C319—H319	119.1
C318—N306—Zn43	133.3 (7)	N301—C301—H301	118.8
C334—C335—H335	120.5	N301—C301—C302	122.4 (7)
C334—C335—C336	119.0 (7)	C302—C301—H301	118.8
C336—C335—H335	120.5	C321—C322—H322	119.5
C335—C334—C326	121.3 (7)	C323—C322—C321	121.1 (9)
C333—C334—C335	118.8 (6)	C323—C322—H322	119.5
C333—C334—C326	119.9 (8)	C303—C302—H302	120.3
N308—C326—C334	115.7 (6)	C301—C302—C303	119.4 (6)
N310—C326—N308	126.5 (6)	C301—C302—H302	120.3
N310—C326—C334	117.8 (8)	N306—C318—H318	118.3
N309—C325—N310	125.5 (7)	N306—C318—C317	123.5 (9)
N309—C325—C327	119.6 (7)	C317—C318—H318	118.3
N310—C325—C327	114.9 (9)	N307—C323—H323	118.5
C305—N301—Zn31	122.6 (5)	C322—C323—N307	123.0 (11)
C305—N301—C301	117.9 (5)	C322—C323—H323	118.5
C305—N301—Zn41	114.5 (6)	N305—C312—C313	124.8 (6)
C305—N301—Zn51	127.3 (11)	N305—C312—H312	117.6
C301—N301—Zn31	119.3 (5)	C313—C312—H312	117.6
C301—N301—Zn41	126.8 (5)	C327—C328—H328	122.2
C301—N301—Zn51	107.7 (10)	C329—C328—C327	115.6 (12)
C331—C327—C325	123.2 (7)	C329—C328—H328	122.2
C331—C327—C328	118.8 (9)	C316—C317—C318	119.5 (8)
C328—C327—C325	118.0 (10)	C316—C317—H317	120.2
N302—C308—C316	118.5 (5)	C318—C317—H317	120.2
N304—C308—N302	124.8 (5)	N312^i—Zn32—I303	109.1 (3)
N304—C308—C316	116.8 (5)	N312^i—Zn32—I304	106.5 (3)
N309—C324—C321	117.6 (7)	N305—Zn32—N312^i	97.2 (2)
N308—C324—N309	124.1 (9)	N305—Zn32—I303	109.3 (2)
N308—C324—C321	118.3 (7)	N305—Zn32—I304	102.0 (3)
C319—N307—Zn33	116.7 (8)	I303—Zn32—I304	128.27 (13)
C319—N307—C323	117.6 (10)	N311^ii—Zn41—I401	102.1 (5)
C319—N307—Zn43	131.3 (7)	N311^ii—Zn41—I402	108.7 (5)
C323—N307—Zn33	125.3 (9)	N301—Zn41—N311^ii	95.9 (5)
C323—N307—Zn43	110.5 (9)	N301—Zn41—I401	101.4 (4)
N304—C307—N303	125.0 (5)	N301—Zn41—I402	112.0 (5)
N304—C307—C309	117.5 (5)	I401—Zn41—I402	131.0 (5)
N303—C307—C309	117.4 (5)	N311^ii—Zn51—N301	100.0 (15)
C310—C309—C307	123.9 (5)	N311^ii—Zn51—C329^ii	36.2 (8)
C313—C309—C307	120.6 (5)	N311^ii—Zn51—I501	124.7 (16)
C313—C309—C310	115.5 (6)	N311^ii—Zn51—I502	89.8 (10)
N312—C336—C335	121.1 (8)	N301—Zn51—I501	126.7 (16)
N312—C336—H336	119.4	N301—Zn51—I502	81.7 (8)
C335—C336—H336	119.4	C329^ii—Zn51—N301	104.7 (16)
N302—C306—N303	125.0 (5)	C329^ii—Zn51—I501	97.8 (10)
N302—C306—C303	118.5 (5)	C329^ii—Zn51—I502	126.0 (14)
N303—C306—C303	116.5 (5)	I501—Zn51—I502	121.3 (16)
C327—C331—H331	120.3	N306—Zn43—N307	95.8 (4)
C327—C331—C330	119.5 (8)	N306—Zn43—I405	119.8 (4)
C330—C331—H331	120.3	N306—Zn43—I406	98.4 (3)
C315—C316—C308	123.5 (6)	N307—Zn43—I405	116.4 (4)
C315—C316—C317	117.4 (6)	N307—Zn43—I406	99.0 (3)
C317—C316—C308	119.0 (6)	I406—Zn43—I405	122.3 (3)
Zn42^iii—N312—C336—C335	167.4 (5)	C324—N308—C326—N310	−0.3 (9)
Zn42^iii—N312—C332—C333	−165.4 (6)	C324—N308—C326—C334	178.9 (5)
Zn42—N305—C311—C310	161.7 (9)	C324—C321—C320—C319	177.8 (9)
Zn42—N305—C312—C313	−160.7 (11)	C324—C321—C322—C323	−177.5 (10)
Zn31^iv—N311—C330—C331	177.4 (6)	C307—N304—C308—N302	4.9 (12)
Zn31^iv—N311—C329—C328	−179.6 (9)	C307—N304—C308—C316	−173.8 (7)
Zn31—N301—C305—C304	−176.5 (8)	C307—N303—C306—N302	5.5 (12)
Zn31—N301—C301—C302	179.6 (10)	C307—N303—C306—C303	−176.5 (8)
Zn33—N306—C314—C315	−179.2 (8)	C307—C309—C310—C311	−175.4 (9)
Zn33—N306—C318—C317	178.3 (12)	C307—C309—C313—C312	176.1 (9)
Zn33—N307—C319—C320	171.2 (9)	C309—C313—C312—N305	−1.9 (19)
Zn33—N307—C323—C322	−170.2 (9)	C336—N312—C332—C333	3.5 (10)
N312—C332—C333—C334	−1.9 (11)	C336—C335—C334—C326	−175.3 (5)
N309—C325—C327—C331	−156.2 (7)	C336—C335—C334—C333	2.0 (9)
N309—C325—C327—C328	23.7 (9)	C306—N302—C308—N304	−3.5 (12)
N309—C324—C321—C320	−13.3 (11)	C306—N302—C308—C316	175.2 (7)
N309—C324—C321—C322	167.2 (7)	C306—N303—C307—N304	−4.0 (12)
N308—C324—C321—C320	167.6 (7)	C306—N303—C307—C309	179.3 (7)
N308—C324—C321—C322	−11.9 (10)	C306—C303—C304—C305	179.6 (9)
N302—C308—C316—C315	0.8 (14)	C306—C303—C302—C301	−176.9 (10)
N302—C308—C316—C317	−177.6 (10)	C331—C327—C328—C329	−4.3 (13)
N302—C306—C303—C304	2.7 (14)	C332—N312—C336—C335	−2.4 (9)
N302—C306—C303—C302	−176.9 (9)	C321—C320—C319—N307	2.4 (17)
N310—C325—C327—C331	25.1 (9)	C321—C322—C323—N307	−3.0 (18)
N310—C325—C327—C328	−155.0 (7)	C311—N305—C312—C313	7.1 (17)
N304—C308—C316—C315	179.6 (9)	C333—C334—C326—N308	1.3 (8)
N304—C308—C316—C317	1.2 (13)	C333—C334—C326—N310	−179.4 (6)
N304—C307—C309—C310	178.4 (9)	C330—N311—C329—C328	−0.4 (17)
N304—C307—C309—C313	−2.0 (13)	C330—N311—C329—Zn51^iv	−173.7 (14)
N305—C311—C310—C309	0.3 (16)	C329—N311—C330—C331	−1.6 (12)
N303—C307—C309—C310	−4.6 (13)	C314—N306—C318—C317	−3 (2)
N303—C307—C309—C313	175.0 (9)	C305—N301—C301—C302	4.8 (18)
N303—C306—C303—C304	−175.5 (9)	C315—C316—C317—C318	−0.2 (18)
N303—C306—C303—C302	4.9 (13)	C310—C309—C313—C312	−4.3 (16)
N311—C329—C328—C327	3.3 (17)	C304—C303—C302—C301	3.4 (16)
N306—C314—C315—C316	−0.3 (17)	C320—C321—C322—C323	3.0 (15)
N306—C318—C317—C316	2 (2)	C313—C309—C310—C311	4.9 (15)
C335—C334—C326—N308	178.5 (5)	C319—N307—C323—C322	2.4 (17)
C335—C334—C326—N310	−2.2 (8)	C301—N301—C305—C304	−2.0 (16)
C335—C334—C333—C332	−0.9 (10)	C322—C321—C320—C319	−2.7 (14)
C334—C335—C336—N312	−0.3 (8)	C302—C303—C304—C305	−0.8 (15)
C326—N308—C324—N309	−1.3 (9)	C318—N306—C314—C315	1.8 (17)
C326—N308—C324—C321	177.8 (6)	C323—N307—C319—C320	−2.1 (16)
C326—N310—C325—N309	−2.5 (8)	C312—N305—C311—C310	−6.3 (15)
C326—N310—C325—C327	176.1 (5)	C328—C327—C331—C330	2.7 (11)
C326—C334—C333—C332	176.3 (6)	C317—C316—C315—C314	−0.5 (16)
C325—N309—C324—N308	0.9 (9)	Zn32^iii—N312—C336—C335	167.3 (4)
C325—N309—C324—C321	−178.2 (6)	Zn32^iii—N312—C332—C333	−167.0 (6)
C325—N310—C326—N308	2.0 (8)	Zn32—N305—C311—C310	171.6 (8)
C325—N310—C326—C334	−177.2 (5)	Zn32—N305—C312—C313	−170.6 (9)
C325—C327—C331—C330	−177.4 (6)	Zn41^iv—N311—C330—C331	171.5 (6)
C325—C327—C328—C329	175.8 (8)	Zn41^iv—N311—C329—C328	−172.8 (9)
N301—C305—C304—C303	0.0 (16)	Zn41—N301—C305—C304	168.3 (9)
N301—C301—C302—C303	−5.6 (19)	Zn41—N301—C301—C302	−164.1 (10)
C327—C331—C330—N311	0.4 (12)	Zn51^iv—N311—C330—C331	−165 (3)
C308—N302—C306—N303	−2.0 (12)	Zn51^iv—N311—C329—C328	173.3 (17)
C308—N302—C306—C303	180.0 (8)	Zn51—N301—C305—C304	−148.6 (11)
C308—N304—C307—N303	−0.8 (12)	Zn51—N301—C301—C302	157.5 (14)
C308—N304—C307—C309	175.9 (7)	Zn43—N306—C314—C315	175.6 (9)
C308—C316—C315—C314	−179.0 (9)	Zn43—N306—C318—C317	−174.5 (10)
C308—C316—C317—C318	178.3 (11)	Zn43—N307—C319—C320	−172.1 (8)
C324—N309—C325—N310	1.2 (9)	Zn43—N307—C323—C322	174.4 (10)
C324—N309—C325—C327	−177.4 (5)

Symmetry codes: (i) x, −y+1, z−1/2; (ii) x+1/2, y+1/2, z; (iii) x, −y+1, z+1/2; (iv) x−1/2, y−1/2, z.

catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc (4_1_48c)

Crystal data

C36H24I6N12Zn3	F(000) = 5856
Mr = 1582.18	Dx = 1.368 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.4353 (8) Å	Cell parameters from 9535 reflections
b = 15.0604 (3) Å	θ = 2.6–72.4°
c = 30.1558 (14) Å	µ = 20.23 mm^−1
β = 100.809 (3)°	T = 100 K
V = 15361.6 (9) Å^3	Block, colourless
Z = 8	0.15 × 0.13 × 0.07 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	13987 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	9956 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.036
Detector resolution: 10 pixels mm^-1	θmax = 68.2°, θmin = 2.6°
profile data from ω–scans	h = −36→41
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −12→18
Tmin = 0.150, Tmax = 0.400	l = −36→36
54183 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.050	H-atom parameters constrained
wR(F^2) = 0.162	w = 1/[σ^2(Fo^2) + (0.0893P)^2 + 13.1304P] where P = (Fo^2 + 2Fc^2)/3
S = 1.07	(Δ/σ)max = 0.001
13987 reflections	Δρmax = 1.06 e Å^−3
616 parameters	Δρmin = −0.75 e Å^−3
22 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. No guests or solvent were identified from the electron density map, SQUEEZE has been applied to address the residual electron density within the pore. SQUEEZE analysis indicated one void with a volume of 892 Ang**3 and an electron count of 227. This is equivalent to 4.73 cyclohexane molecules or 1.75 BBA-8,12-OMe molecules.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I305	0.37895 (11)	1.2343 (2)	0.44565 (11)	0.1061 (9)	0.4881
I306	0.47501 (6)	1.15293 (14)	0.36272 (8)	0.0798 (5)	0.4881
I304	0.37501 (7)	0.65645 (13)	0.80877 (8)	0.1122 (5)	0.491 (3)
I301	0.11615 (3)	−0.23897 (5)	0.58111 (6)	0.2084 (8)	0.89
I303	0.26921 (7)	0.73388 (13)	0.70864 (8)	0.1120 (5)	0.491 (3)
Zn33	0.42023 (11)	1.1273 (3)	0.40710 (17)	0.0630 (10)	0.4881
I302	0.15552 (6)	−0.0679 (2)	0.47368 (7)	0.2130 (11)	0.89
Zn31	0.13220 (7)	−0.09078 (15)	0.54703 (8)	0.1347 (10)	0.89
Zn32	0.33032 (14)	0.6385 (3)	0.73248 (16)	0.0891 (8)	0.491 (3)
N310	0.48198 (13)	0.7311 (3)	0.52546 (15)	0.0801 (12)
N303	0.28082 (12)	0.0513 (2)	0.72445 (17)	0.0778 (13)
N312	0.43704 (15)	1.0222 (3)	0.45231 (18)	0.0825 (13)
N305	0.37946 (12)	−0.0520 (2)	0.86002 (17)	0.0803 (13)
N309	0.46461 (15)	0.6437 (3)	0.58419 (19)	0.0869 (15)
N308	0.42963 (14)	0.7764 (3)	0.56155 (18)	0.0827 (13)
N311	0.58289 (18)	0.4875 (4)	0.5471 (3)	0.112 (2)
N304	0.31897 (13)	0.1789 (2)	0.74966 (18)	0.0841 (14)
C334	0.44955 (15)	0.8708 (3)	0.50434 (19)	0.0710 (13)
N302	0.26730 (13)	0.1884 (3)	0.68556 (18)	0.0873 (14)
C326	0.45422 (17)	0.7868 (3)	0.5323 (2)	0.0767 (15)
C325	0.48673 (16)	0.6612 (3)	0.5535 (2)	0.0799 (16)
N306	0.3147 (2)	0.5043 (3)	0.7215 (3)	0.1128 (19)
N301	0.17266 (15)	−0.0305 (3)	0.5978 (2)	0.115 (2)
C321	0.41069 (19)	0.6874 (4)	0.6184 (2)	0.0881 (17)
C327	0.51925 (17)	0.5992 (4)	0.5506 (2)	0.0860 (17)
C335	0.47351 (16)	0.8903 (3)	0.4753 (2)	0.0806 (16)
H335	0.494956	0.852107	0.472718	0.097*
C330	0.56810 (19)	0.5360 (4)	0.5109 (3)	0.103 (2)
H330	0.578847	0.532108	0.484175	0.123*
C311	0.35005 (19)	−0.0905 (3)	0.8315 (2)	0.0945 (19)
H311	0.344947	−0.151599	0.835828	0.113*
C336	0.46667 (15)	0.9672 (3)	0.4487 (2)	0.0785 (14)
H336	0.483400	0.980299	0.427874	0.094*
C307	0.31030 (14)	0.0929 (3)	0.7519 (2)	0.0791 (15)
C309	0.33327 (14)	0.0419 (3)	0.7904 (2)	0.0771 (15)
C303	0.23114 (15)	0.0568 (3)	0.6583 (2)	0.0882 (18)
C324	0.43631 (17)	0.7030 (4)	0.5860 (2)	0.0856 (17)
C310	0.32688 (16)	−0.0473 (3)	0.7967 (2)	0.0910 (19)
H310	0.306608	−0.078125	0.776874	0.109*
C331	0.53587 (18)	0.5939 (4)	0.5132 (3)	0.094 (2)
H331	0.525651	0.629890	0.487850	0.113*
C308	0.29562 (16)	0.2237 (3)	0.7161 (2)	0.0841 (16)
N307	0.3608 (2)	0.6567 (4)	0.6796 (2)	0.1136 (19)
C306	0.26137 (14)	0.1013 (3)	0.6911 (2)	0.0781 (15)
C332	0.4154 (2)	1.0052 (4)	0.4826 (3)	0.0988 (19)
H332	0.395650	1.046871	0.486509	0.119*
C333	0.4199 (2)	0.9293 (5)	0.5094 (3)	0.104 (2)
H333	0.403135	0.918262	0.530480	0.125*
C302	0.22385 (19)	−0.0324 (3)	0.6618 (3)	0.111 (3)
H302	0.239285	−0.066268	0.685261	0.134*
C320	0.4194 (3)	0.6258 (6)	0.6526 (3)	0.128 (3)
H320	0.443399	0.593320	0.656269	0.153*
C301	0.1945 (2)	−0.0727 (4)	0.6316 (3)	0.135 (4)
H301	0.189642	−0.134095	0.635352	0.162*
C316	0.30184 (18)	0.3215 (3)	0.7166 (2)	0.0910 (18)
C304	0.20858 (18)	0.1020 (4)	0.6223 (2)	0.101 (2)
H304	0.212975	0.163225	0.617382	0.121*
C305	0.1794 (2)	0.0550 (4)	0.5937 (3)	0.112 (3)
H305	0.163314	0.086394	0.569790	0.135*
C314	0.2864 (3)	0.4691 (5)	0.6917 (4)	0.134 (3)
H314	0.270503	0.507783	0.670887	0.161*
C322	0.3752 (3)	0.7325 (5)	0.6155 (3)	0.123 (3)
H322	0.367260	0.774744	0.592187	0.148*
C329	0.5685 (3)	0.4958 (7)	0.5834 (4)	0.149 (4)
H329	0.581497	0.464249	0.609211	0.178*
C313	0.3615 (2)	0.0828 (4)	0.8213 (3)	0.129 (3)
H313	0.366038	0.144596	0.818720	0.155*
C315	0.2778 (2)	0.3776 (4)	0.6884 (3)	0.127 (3)
H315	0.255961	0.355725	0.667260	0.152*
C317	0.3319 (3)	0.3590 (4)	0.7481 (3)	0.131 (3)
H317	0.348598	0.323171	0.769558	0.157*
C312	0.3833 (2)	0.0357 (4)	0.8561 (3)	0.120 (3)
H312	0.401728	0.066463	0.878184	0.144*
C318	0.3368 (3)	0.4503 (5)	0.7474 (4)	0.156 (4)
H318	0.358432	0.474694	0.767972	0.187*
C328	0.5353 (3)	0.5475 (6)	0.5884 (3)	0.137 (3)
H328	0.524709	0.547276	0.615294	0.164*
C319	0.3934 (3)	0.6110 (6)	0.6815 (4)	0.139 (3)
H319	0.399433	0.565877	0.703715	0.167*
C323	0.3518 (3)	0.7163 (5)	0.6460 (4)	0.127 (3)
H323	0.327813	0.748650	0.643532	0.152*
I401	0.1194 (2)	−0.2490 (6)	0.6046 (3)	0.100 (3)	0.06
Zn41	0.1267 (7)	−0.1053 (11)	0.5583 (5)	0.064 (5)	0.06
I402	0.1445 (5)	−0.0824 (11)	0.4815 (6)	0.133 (8)	0.06
I403	0.25457 (11)	0.71928 (15)	0.68475 (18)	0.1985 (19)	0.479 (3)
Zn42	0.31784 (18)	0.6413 (3)	0.7184 (2)	0.143 (2)	0.479 (3)
I404	0.35696 (15)	0.67325 (19)	0.79753 (13)	0.2052 (19)	0.479 (3)
I406	0.47717 (9)	1.1499 (2)	0.36734 (12)	0.1447 (13)	0.5119
Zn43	0.41947 (16)	1.1195 (4)	0.4047 (2)	0.102 (2)	0.5119
I405	0.38551 (10)	1.23866 (19)	0.44224 (13)	0.1021 (9)	0.5119
I501	0.0959 (3)	−0.2270 (6)	0.6002 (3)	0.080*	0.05
I502	0.1492 (4)	−0.1099 (12)	0.4899 (5)	0.080*	0.05
Zn51	0.1293 (8)	−0.111 (2)	0.5683 (11)	0.080*	0.05
I503	0.2374 (4)	0.6930 (11)	0.6473 (5)	0.080*	0.0305 (9)
I504	0.3219 (4)	0.7049 (9)	0.7734 (5)	0.080*	0.0305 (9)
Zn52	0.2982 (9)	0.641 (2)	0.6915 (11)	0.080*	0.0305 (9)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I305	0.146 (2)	0.0675 (12)	0.0961 (11)	0.0353 (12)	−0.0004 (12)	0.0049 (8)
I306	0.0752 (7)	0.0800 (9)	0.0777 (8)	−0.0114 (6)	−0.0019 (6)	−0.0081 (6)
I304	0.1582 (11)	0.0613 (6)	0.1042 (8)	−0.0133 (6)	−0.0089 (8)	−0.0054 (5)
I301	0.1686 (8)	0.0568 (3)	0.3212 (16)	0.0027 (4)	−0.1566 (10)	−0.0169 (6)
I303	0.1232 (10)	0.0533 (6)	0.1589 (12)	0.0141 (5)	0.0247 (8)	0.0199 (6)
Zn33	0.0606 (15)	0.0455 (15)	0.073 (2)	0.0012 (10)	−0.0132 (13)	−0.0012 (12)
I302	0.1223 (11)	0.292 (3)	0.1941 (13)	0.0646 (12)	−0.0498 (8)	−0.1444 (15)
Zn31	0.1011 (11)	0.0783 (12)	0.184 (2)	0.0300 (8)	−0.0769 (13)	−0.0444 (12)
Zn32	0.1034 (15)	0.0437 (10)	0.1113 (16)	−0.0057 (9)	−0.0026 (12)	0.0050 (9)
N310	0.082 (3)	0.061 (2)	0.080 (3)	0.011 (2)	−0.028 (2)	0.003 (2)
N303	0.071 (2)	0.0374 (16)	0.109 (3)	0.0041 (15)	−0.025 (2)	−0.0032 (18)
N312	0.092 (3)	0.063 (2)	0.081 (3)	0.011 (2)	−0.014 (3)	0.004 (2)
N305	0.080 (2)	0.0416 (18)	0.102 (3)	0.0006 (17)	−0.028 (2)	−0.0043 (19)
N309	0.083 (3)	0.059 (2)	0.101 (4)	−0.005 (2)	−0.029 (3)	0.009 (2)
N308	0.081 (3)	0.063 (2)	0.089 (3)	0.007 (2)	−0.023 (3)	0.003 (2)
N311	0.088 (3)	0.075 (3)	0.146 (6)	0.018 (3)	−0.047 (4)	−0.015 (4)
N304	0.079 (2)	0.0396 (18)	0.116 (4)	0.0030 (17)	−0.027 (2)	−0.001 (2)
C334	0.071 (3)	0.054 (2)	0.077 (3)	0.010 (2)	−0.012 (3)	0.006 (2)
N302	0.084 (3)	0.0416 (19)	0.119 (4)	0.0083 (18)	−0.025 (3)	0.001 (2)
C326	0.075 (3)	0.062 (3)	0.077 (3)	0.000 (2)	−0.026 (3)	0.001 (2)
C325	0.071 (3)	0.060 (3)	0.092 (4)	−0.002 (2)	−0.026 (3)	0.000 (3)
N306	0.133 (5)	0.044 (2)	0.158 (6)	−0.007 (3)	0.019 (4)	−0.003 (3)
N301	0.092 (3)	0.060 (3)	0.162 (5)	0.020 (2)	−0.061 (3)	−0.023 (3)
C321	0.092 (4)	0.060 (3)	0.102 (4)	−0.007 (3)	−0.007 (3)	0.001 (3)
C327	0.079 (3)	0.059 (3)	0.102 (4)	0.001 (2)	−0.029 (3)	0.000 (3)
C335	0.075 (3)	0.061 (3)	0.089 (4)	0.006 (2)	−0.030 (3)	0.000 (3)
C330	0.096 (4)	0.062 (3)	0.129 (5)	0.005 (3)	−0.036 (4)	−0.002 (3)
C311	0.109 (4)	0.047 (2)	0.106 (4)	−0.005 (2)	−0.034 (3)	−0.002 (3)
C336	0.070 (3)	0.066 (3)	0.086 (3)	0.006 (2)	−0.019 (3)	0.004 (2)
C307	0.067 (3)	0.043 (2)	0.112 (4)	0.0012 (19)	−0.021 (3)	0.000 (2)
C309	0.064 (2)	0.043 (2)	0.109 (4)	0.0038 (18)	−0.023 (3)	0.001 (2)
C303	0.072 (3)	0.050 (2)	0.123 (5)	0.014 (2)	−0.030 (3)	−0.009 (3)
C324	0.086 (3)	0.063 (3)	0.091 (4)	0.000 (3)	−0.025 (3)	0.000 (3)
C310	0.084 (3)	0.050 (2)	0.117 (4)	−0.007 (2)	−0.040 (3)	−0.002 (3)
C331	0.082 (3)	0.065 (3)	0.118 (5)	0.015 (3)	−0.025 (4)	0.001 (3)
C308	0.076 (3)	0.045 (2)	0.119 (5)	0.004 (2)	−0.013 (3)	0.000 (3)
N307	0.151 (5)	0.062 (3)	0.129 (5)	−0.007 (3)	0.028 (4)	0.001 (3)
C306	0.070 (3)	0.046 (2)	0.105 (4)	0.0073 (19)	−0.019 (3)	−0.005 (2)
C332	0.112 (5)	0.078 (4)	0.103 (5)	0.037 (3)	0.013 (4)	0.020 (3)
C333	0.114 (5)	0.088 (4)	0.108 (5)	0.037 (4)	0.015 (4)	0.021 (4)
C302	0.100 (4)	0.048 (3)	0.154 (6)	0.010 (3)	−0.058 (4)	−0.002 (3)
C320	0.125 (6)	0.112 (6)	0.145 (7)	0.018 (5)	0.022 (6)	0.033 (5)
C301	0.109 (4)	0.054 (3)	0.200 (8)	0.012 (3)	−0.081 (5)	−0.024 (4)
C316	0.096 (4)	0.042 (2)	0.123 (5)	−0.004 (2)	−0.010 (3)	0.003 (3)
C304	0.097 (4)	0.058 (3)	0.123 (5)	0.011 (3)	−0.042 (4)	−0.011 (3)
C305	0.110 (4)	0.063 (3)	0.131 (5)	0.025 (3)	−0.059 (4)	−0.016 (3)
C314	0.122 (6)	0.060 (4)	0.204 (9)	0.020 (4)	−0.009 (6)	0.028 (5)
C322	0.162 (8)	0.074 (4)	0.132 (7)	0.012 (4)	0.024 (6)	0.019 (4)
C329	0.134 (7)	0.119 (7)	0.162 (9)	0.056 (6)	−0.049 (7)	0.030 (6)
C313	0.142 (6)	0.052 (3)	0.151 (6)	−0.009 (3)	−0.084 (5)	0.003 (3)
C315	0.117 (5)	0.049 (3)	0.187 (8)	0.004 (3)	−0.039 (5)	0.021 (4)
C317	0.148 (6)	0.058 (3)	0.155 (7)	−0.023 (4)	−0.054 (5)	0.015 (4)
C312	0.118 (5)	0.053 (3)	0.150 (6)	−0.010 (3)	−0.073 (5)	0.005 (3)
C318	0.183 (8)	0.052 (3)	0.198 (10)	−0.019 (4)	−0.053 (7)	−0.001 (5)
C328	0.141 (6)	0.129 (6)	0.126 (6)	0.064 (5)	−0.012 (5)	0.036 (5)
C319	0.162 (8)	0.093 (5)	0.168 (9)	0.014 (5)	0.044 (7)	0.039 (6)
C323	0.135 (6)	0.081 (4)	0.168 (8)	0.022 (4)	0.033 (6)	0.014 (5)
I401	0.056 (3)	0.081 (5)	0.138 (7)	0.011 (3)	−0.045 (4)	0.007 (4)
Zn41	0.093 (11)	0.028 (6)	0.048 (8)	−0.004 (5)	−0.043 (7)	−0.006 (6)
I402	0.112 (10)	0.080 (6)	0.167 (15)	0.013 (6)	−0.073 (9)	−0.034 (7)
I403	0.205 (3)	0.0649 (11)	0.363 (6)	0.0509 (14)	0.151 (3)	0.075 (2)
Zn42	0.196 (6)	0.0379 (11)	0.213 (6)	−0.010 (3)	0.086 (4)	0.000 (3)
I404	0.341 (5)	0.0971 (16)	0.205 (3)	−0.104 (2)	0.124 (3)	−0.0651 (17)
I406	0.1524 (19)	0.1274 (18)	0.1296 (18)	−0.0655 (13)	−0.0373 (12)	0.0167 (12)
Zn43	0.127 (3)	0.0520 (18)	0.101 (3)	−0.0104 (15)	−0.047 (2)	0.0058 (16)
I405	0.0898 (7)	0.0481 (7)	0.156 (2)	−0.0028 (5)	−0.0087 (9)	−0.0063 (8)

Geometric parameters (Å, º)

I305—Zn33	2.567 (5)	C311—H311	0.9500
I306—Zn33	2.539 (4)	C311—C310	1.361 (8)
I304—Zn32	2.531 (4)	C336—H336	0.9500
I301—Zn31	2.560 (3)	C307—C309	1.489 (7)
I303—Zn32	2.538 (5)	C309—C310	1.380 (7)
Zn33—N312	2.098 (6)	C309—C313	1.360 (7)
Zn33—N305^i	2.127 (7)	C303—C306	1.458 (7)
I302—Zn31	2.515 (4)	C303—C302	1.374 (8)
Zn31—N311^ii	2.068 (7)	C303—C304	1.389 (8)
Zn31—N301	2.076 (5)	C310—H310	0.9500
Zn32—N306	2.102 (7)	C331—H331	0.9500
Zn32—N307	2.085 (9)	C308—C316	1.489 (7)
N310—C326	1.316 (8)	N307—C319	1.309 (11)
N310—C325	1.341 (7)	N307—C323	1.345 (11)
N303—C307	1.340 (6)	N307—Zn42	2.063 (9)
N303—C306	1.331 (7)	N307—Zn52	2.26 (3)
N312—C336	1.334 (7)	C332—H332	0.9500
N312—C332	1.306 (9)	C332—C333	1.392 (9)
N312—Zn43	2.061 (7)	C333—H333	0.9500
N305—C311	1.332 (6)	C302—H302	0.9500
N305—C312	1.335 (7)	C302—C301	1.369 (8)
N305—Zn43^iii	2.013 (7)	C320—H320	0.9500
N309—C325	1.331 (8)	C320—C319	1.379 (13)
N309—C324	1.331 (8)	C301—H301	0.9500
N308—C326	1.340 (8)	C316—C315	1.363 (9)
N308—C324	1.325 (7)	C316—C317	1.386 (9)
N311—C330	1.333 (10)	C304—H304	0.9500
N311—C329	1.287 (13)	C304—C305	1.388 (8)
N311—Zn41^iv	2.04 (3)	C305—H305	0.9500
N311—Zn51^iv	2.18 (3)	C314—H314	0.9500
N304—C307	1.333 (6)	C314—C315	1.408 (10)
N304—C308	1.349 (7)	C322—H322	0.9500
C334—C326	1.514 (7)	C322—C323	1.351 (13)
C334—C335	1.344 (8)	C329—H329	0.9500
C334—C333	1.378 (8)	C329—C328	1.415 (14)
N302—C308	1.321 (7)	C313—H313	0.9500
N302—C306	1.344 (6)	C313—C312	1.368 (8)
C325—C327	1.474 (9)	C315—H315	0.9500
N306—C314	1.309 (11)	C317—H317	0.9500
N306—C318	1.276 (10)	C317—C318	1.385 (9)
N306—Zn42	2.068 (7)	C312—H312	0.9500
N306—Zn52	2.28 (4)	C318—H318	0.9500
N301—C301	1.311 (9)	C328—H328	0.9500
N301—C305	1.318 (8)	C319—H319	0.9500
N301—Zn41	2.119 (15)	C323—H323	0.9500
N301—Zn51	2.00 (3)	I401—Zn41	2.612 (14)
C321—C324	1.453 (10)	Zn41—I402	2.530 (17)
C321—C320	1.376 (11)	I403—Zn42	2.515 (6)
C321—C322	1.388 (11)	Zn42—I404	2.558 (7)
C327—C331	1.358 (10)	I406—Zn43	2.504 (6)
C327—C328	1.406 (9)	Zn43—I405	2.523 (6)
C335—H335	0.9500	I501—Zn51	2.39 (3)
C335—C336	1.402 (8)	I502—Zn51	2.58 (3)
C330—H330	0.9500	I503—Zn52	2.39 (3)
C330—C331	1.423 (9)	I504—Zn52	2.63 (3)
I306—Zn33—I305	132.3 (2)	C330—C331—H331	119.0
N312—Zn33—I305	106.7 (3)	N304—C308—C316	115.0 (5)
N312—Zn33—I306	108.4 (2)	N302—C308—N304	125.5 (4)
N312—Zn33—N305^i	95.7 (3)	N302—C308—C316	119.4 (5)
N305^i—Zn33—I305	106.5 (2)	C319—N307—Zn32	116.6 (6)
N305^i—Zn33—I306	101.1 (2)	C319—N307—C323	117.2 (8)
I302—Zn31—I301	126.96 (12)	C319—N307—Zn42	128.0 (6)
N311^ii—Zn31—I301	104.9 (3)	C319—N307—Zn52	140.7 (11)
N311^ii—Zn31—I302	108.7 (3)	C323—N307—Zn32	125.9 (6)
N311^ii—Zn31—N301	100.8 (2)	C323—N307—Zn42	114.5 (6)
N301—Zn31—I301	104.5 (2)	C323—N307—Zn52	95.6 (10)
N301—Zn31—I302	107.9 (3)	N303—C306—N302	125.5 (4)
I304—Zn32—I303	121.9 (2)	N303—C306—C303	116.5 (4)
N306—Zn32—I304	109.9 (3)	N302—C306—C303	118.0 (5)
N306—Zn32—I303	109.0 (3)	N312—C332—H332	118.3
N307—Zn32—I304	112.0 (3)	N312—C332—C333	123.5 (6)
N307—Zn32—I303	102.6 (3)	C333—C332—H332	118.3
N307—Zn32—N306	99.0 (3)	C334—C333—C332	117.6 (7)
C326—N310—C325	114.0 (6)	C334—C333—H333	121.2
C306—N303—C307	114.7 (4)	C332—C333—H333	121.2
C336—N312—Zn33	122.5 (5)	C303—C302—H302	119.8
C336—N312—Zn43	120.9 (5)	C301—C302—C303	120.3 (6)
C332—N312—Zn33	118.5 (4)	C301—C302—H302	119.8
C332—N312—C336	118.6 (5)	C321—C320—H320	119.8
C332—N312—Zn43	119.6 (4)	C321—C320—C319	120.4 (8)
C311—N305—Zn33^iii	121.7 (3)	C319—C320—H320	119.8
C311—N305—C312	116.7 (4)	N301—C301—C302	123.1 (6)
C311—N305—Zn43^iii	123.6 (4)	N301—C301—H301	118.5
C312—N305—Zn33^iii	121.5 (3)	C302—C301—H301	118.5
C312—N305—Zn43^iii	119.5 (4)	C315—C316—C308	122.6 (5)
C324—N309—C325	114.5 (5)	C315—C316—C317	117.5 (5)
C324—N308—C326	113.4 (5)	C317—C316—C308	119.8 (5)
Zn31^iv—N311—Zn51^iv	19.6 (8)	C303—C304—H304	121.1
C330—N311—Zn31^iv	119.9 (7)	C305—C304—C303	117.9 (6)
C330—N311—Zn41^iv	132.0 (9)	C305—C304—H304	121.1
C330—N311—Zn51^iv	139.2 (11)	N301—C305—C304	124.1 (5)
C329—N311—Zn31^iv	120.2 (5)	N301—C305—H305	118.0
C329—N311—C330	119.6 (7)	C304—C305—H305	118.0
C329—N311—Zn41^iv	108.4 (7)	N306—C314—H314	117.8
C329—N311—Zn51^iv	101.2 (10)	N306—C314—C315	124.3 (7)
Zn41^iv—N311—Zn51^iv	7.4 (10)	C315—C314—H314	117.8
C307—N304—C308	114.6 (4)	C321—C322—H322	120.0
C335—C334—C326	122.1 (5)	C323—C322—C321	119.9 (8)
C335—C334—C333	119.4 (5)	C323—C322—H322	120.0
C333—C334—C326	118.4 (6)	N311—C329—H329	116.9
C308—N302—C306	114.5 (4)	N311—C329—C328	126.3 (8)
N310—C326—N308	126.6 (5)	C328—C329—H329	116.9
N310—C326—C334	116.7 (6)	C309—C313—H313	119.7
N308—C326—C334	116.7 (5)	C309—C313—C312	120.6 (5)
N310—C325—C327	117.7 (7)	C312—C313—H313	119.7
N309—C325—N310	125.2 (5)	C316—C315—C314	118.0 (7)
N309—C325—C327	117.1 (5)	C316—C315—H315	121.0
C314—N306—Zn32	129.3 (5)	C314—C315—H315	121.0
C314—N306—Zn42	114.3 (5)	C316—C317—H317	120.9
C314—N306—Zn52	89.8 (9)	C318—C317—C316	118.1 (7)
C318—N306—Zn32	114.3 (5)	C318—C317—H317	120.9
C318—N306—C314	116.3 (6)	N305—C312—C313	122.1 (5)
C318—N306—Zn42	129.3 (6)	N305—C312—H312	119.0
C318—N306—Zn52	153.6 (10)	C313—C312—H312	119.0
C301—N301—Zn31	124.7 (4)	N306—C318—C317	125.6 (8)
C301—N301—C305	117.4 (5)	N306—C318—H318	117.2
C301—N301—Zn41	116.0 (6)	C317—C318—H318	117.2
C301—N301—Zn51	108.9 (10)	C327—C328—C329	114.9 (10)
C305—N301—Zn31	117.7 (4)	C327—C328—H328	122.6
C305—N301—Zn41	126.4 (6)	C329—C328—H328	122.6
C305—N301—Zn51	132.9 (10)	N307—C319—C320	122.7 (8)
C320—C321—C324	122.6 (7)	N307—C319—H319	118.7
C320—C321—C322	116.2 (8)	C320—C319—H319	118.7
C322—C321—C324	121.2 (6)	N307—C323—C322	123.4 (8)
C331—C327—C325	122.0 (6)	N307—C323—H323	118.3
C331—C327—C328	118.5 (6)	C322—C323—H323	118.3
C328—C327—C325	119.4 (8)	N311^ii—Zn41—N301	100.4 (8)
C334—C335—H335	120.2	N311^ii—Zn41—I401	121.0 (11)
C334—C335—C336	119.6 (5)	N311^ii—Zn41—I402	93.1 (8)
C336—C335—H335	120.2	N301—Zn41—I401	106.0 (7)
N311—C330—H330	120.8	N301—Zn41—I402	99.1 (8)
N311—C330—C331	118.5 (8)	I402—Zn41—I401	131.8 (10)
C331—C330—H330	120.8	N306—Zn42—I403	115.8 (3)
N305—C311—H311	118.1	N306—Zn42—I404	99.7 (3)
N305—C311—C310	123.7 (5)	N307—Zn42—N306	100.8 (3)
C310—C311—H311	118.2	N307—Zn42—I403	112.2 (3)
N312—C336—C335	121.0 (6)	N307—Zn42—I404	101.5 (3)
N312—C336—H336	119.5	I403—Zn42—I404	123.6 (3)
C335—C336—H336	119.5	N312—Zn43—I406	106.8 (3)
N303—C307—C309	118.1 (4)	N312—Zn43—I405	107.1 (3)
N304—C307—N303	125.0 (4)	N305^i—Zn43—N312	100.5 (3)
N304—C307—C309	116.7 (4)	N305^i—Zn43—I406	107.0 (3)
C310—C309—C307	122.2 (4)	N305^i—Zn43—I405	110.1 (3)
C313—C309—C307	120.5 (4)	I406—Zn43—I405	123.1 (3)
C313—C309—C310	117.3 (5)	N311^ii—Zn51—I501	103.5 (12)
C302—C303—C306	120.9 (5)	N311^ii—Zn51—I502	92.0 (12)
C302—C303—C304	117.1 (5)	N301—Zn51—N311^ii	99.5 (15)
C304—C303—C306	121.9 (5)	N301—Zn51—I501	129.8 (15)
N309—C324—C321	117.4 (5)	N301—Zn51—I502	95.7 (12)
N308—C324—N309	126.1 (7)	I501—Zn51—I502	127.0 (15)
N308—C324—C321	116.5 (6)	N306—Zn52—I503	130.0 (16)
C311—C310—C309	119.1 (5)	N306—Zn52—I504	86.9 (11)
C311—C310—H310	120.5	N307—Zn52—N306	89.0 (12)
C309—C310—H310	120.5	N307—Zn52—I503	129.7 (16)
C327—C331—C330	122.0 (6)	N307—Zn52—I504	88.5 (11)
C327—C331—H331	119.0	I503—Zn52—I504	119.2 (15)
Zn33—N312—C336—C335	−170.7 (4)	C324—C321—C322—C323	179.7 (7)
Zn33—N312—C332—C333	169.4 (6)	C310—C309—C313—C312	2.2 (13)
Zn33^iii—N305—C311—C310	−170.0 (6)	C331—C327—C328—C329	1.4 (12)
Zn33^iii—N305—C312—C313	169.0 (8)	C308—N304—C307—N303	−0.9 (10)
Zn31^iv—N311—C330—C331	−175.7 (4)	C308—N304—C307—C309	−175.6 (6)
Zn31^iv—N311—C329—C328	179.5 (9)	C308—N302—C306—N303	1.3 (9)
Zn31—N301—C301—C302	172.7 (7)	C308—N302—C306—C303	−178.8 (6)
Zn31—N301—C305—C304	−172.8 (7)	C308—C316—C315—C314	−180.0 (8)
Zn32—N306—C314—C315	−177.8 (8)	C308—C316—C317—C318	179.8 (10)
Zn32—N306—C318—C317	177.5 (11)	C306—N303—C307—N304	4.7 (9)
Zn32—N307—C319—C320	−170.4 (9)	C306—N303—C307—C309	179.3 (5)
Zn32—N307—C323—C322	171.9 (7)	C306—N302—C308—N304	3.1 (10)
N310—C325—C327—C331	−20.8 (7)	C306—N302—C308—C316	−173.1 (6)
N310—C325—C327—C328	155.3 (7)	C306—C303—C302—C301	177.7 (8)
N303—C307—C309—C310	4.5 (9)	C306—C303—C304—C305	−177.5 (7)
N303—C307—C309—C313	−174.9 (7)	C332—N312—C336—C335	3.1 (8)
N312—C332—C333—C334	1.9 (11)	C333—C334—C326—N310	177.8 (5)
N305—C311—C310—C309	−1.3 (12)	C333—C334—C326—N308	−2.1 (7)
N309—C325—C327—C331	159.9 (5)	C333—C334—C335—C336	−3.5 (8)
N309—C325—C327—C328	−24.0 (8)	C302—C303—C306—N303	−0.8 (10)
N311—C330—C331—C327	−1.7 (9)	C302—C303—C306—N302	179.4 (7)
N311—C329—C328—C327	−5.4 (17)	C302—C303—C304—C305	2.6 (11)
N304—C307—C309—C310	179.5 (6)	C320—C321—C324—N309	13.6 (9)
N304—C307—C309—C313	0.2 (10)	C320—C321—C324—N308	−165.2 (7)
N304—C308—C316—C315	−172.3 (8)	C320—C321—C322—C323	1.5 (12)
N304—C308—C316—C317	4.4 (11)	C301—N301—C305—C304	1.5 (14)
C334—C335—C336—N312	1.0 (8)	C316—C317—C318—N306	4 (2)
N302—C308—C316—C315	4.3 (12)	C304—C303—C306—N303	179.3 (7)
N302—C308—C316—C317	−179.0 (8)	C304—C303—C306—N302	−0.6 (10)
C326—N310—C325—N309	3.9 (7)	C304—C303—C302—C301	−2.3 (13)
C326—N310—C325—C327	−175.3 (4)	C305—N301—C301—C302	−1.1 (14)
C326—N308—C324—N309	1.4 (8)	C314—N306—C318—C317	−3.6 (18)
C326—N308—C324—C321	−179.9 (4)	C322—C321—C324—N309	−164.4 (6)
C326—C334—C335—C336	177.1 (4)	C322—C321—C324—N308	16.8 (8)
C326—C334—C333—C332	−178.5 (6)	C322—C321—C320—C319	0.5 (13)
C325—N310—C326—N308	−4.8 (7)	C329—N311—C330—C331	−1.9 (11)
C325—N310—C326—C334	175.3 (4)	C313—C309—C310—C311	−3.2 (11)
C325—N309—C324—N308	−2.2 (8)	C315—C316—C317—C318	−3.3 (15)
C325—N309—C324—C321	179.2 (5)	C317—C316—C315—C314	3.2 (14)
C325—C327—C331—C330	177.9 (5)	C312—N305—C311—C310	6.8 (11)
C325—C327—C328—C329	−174.9 (8)	C318—N306—C314—C315	3.5 (16)
N306—C314—C315—C316	−3.5 (16)	C328—C327—C331—C330	1.8 (10)
C321—C320—C319—N307	−3.5 (16)	C319—N307—C323—C322	−2.0 (14)
C321—C322—C323—N307	−0.9 (14)	C323—N307—C319—C320	4.1 (15)
C335—C334—C326—N310	−2.9 (7)	Zn41^iv—N311—C330—C331	177.6 (7)
C335—C334—C326—N308	177.2 (5)	Zn41^iv—N311—C329—C328	−173.9 (10)
C335—C334—C333—C332	2.2 (10)	Zn41—N301—C301—C302	−176.2 (11)
C330—N311—C329—C328	5.7 (16)	Zn41—N301—C305—C304	176.0 (11)
C311—N305—C312—C313	−7.8 (13)	Zn42—N306—C314—C315	−177.9 (9)
C336—N312—C332—C333	−4.5 (10)	Zn42—N306—C318—C317	178.0 (10)
C307—N303—C306—N302	−4.9 (9)	Zn42—N307—C319—C320	177.8 (8)
C307—N303—C306—C303	175.2 (6)	Zn42—N307—C323—C322	−176.5 (8)
C307—N304—C308—N302	−3.3 (10)	Zn43—N312—C336—C335	−166.8 (4)
C307—N304—C308—C316	173.0 (6)	Zn43—N312—C332—C333	165.5 (6)
C307—C309—C310—C311	177.4 (7)	Zn43^iii—N305—C311—C310	−169.1 (6)
C307—C309—C313—C312	−178.4 (8)	Zn43^iii—N305—C312—C313	168.3 (8)
C309—C313—C312—N305	3.5 (16)	Zn51^iv—N311—C330—C331	179.7 (14)
C303—C302—C301—N301	1.6 (15)	Zn51^iv—N311—C329—C328	−175.4 (13)
C303—C304—C305—N301	−2.3 (13)	Zn51—N301—C301—C302	−172.3 (13)
C324—N309—C325—N310	−0.7 (7)	Zn51—N301—C305—C304	170.1 (14)
C324—N309—C325—C327	178.5 (4)	Zn52—N306—C314—C315	179.1 (13)
C324—N308—C326—N310	2.4 (7)	Zn52—N306—C318—C317	−174 (2)
C324—N308—C326—C334	−177.7 (4)	Zn52—N307—C319—C320	147.3 (15)
C324—C321—C320—C319	−177.6 (8)	Zn52—N307—C323—C322	−159.6 (12)

Symmetry codes: (i) x, −y+1, z−1/2; (ii) x−1/2, y−1/2, z; (iii) x, −y+1, z+1/2; (iv) x+1/2, y+1/2, z.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (4_1_96a)

Crystal data

C108H72I18N36Zn9·0.633(C15H16O3)	F(000) = 18226
Mr = 4901.17	Dx = 1.353 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 78.3675 (18) Å	Cell parameters from 15771 reflections
b = 14.9505 (2) Å	θ = 2.6–71.5°
c = 41.6842 (7) Å	µ = 19.40 mm^−1
β = 99.853 (2)°	T = 100 K
V = 48118.2 (15) Å^3	Block, light yellow
Z = 8	0.17 × 0.12 × 0.06 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	43548 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	31204 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.095
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.2°
profile data from ω–scans	h = −94→94
Absorption correction: analytical CrysAlisPro 1.171.41.89a (Rigaku Oxford Diffraction, 2020) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −18→17
Tmin = 0.096, Tmax = 0.399	l = −49→50
148464 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.167	H-atom parameters constrained
wR(F^2) = 0.437	w = 1/[σ^2(Fo^2) + (0.1569P)^2 + 4146.2759P] where P = (Fo^2 + 2Fc^2)/3
S = 1.05	(Δ/σ)max = 0.002
43548 reflections	Δρmax = 1.64 e Å^−3
1906 parameters	Δρmin = −1.75 e Å^−3
1000 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I317	0.89768 (2)	0.02429 (10)	0.59109 (5)	0.0827 (5)
I304	0.41364 (7)	0.4977 (3)	0.74037 (17)	0.0612 (17)	0.59 (3)
I309	0.54879 (3)	0.89098 (13)	0.71658 (5)	0.1008 (7)
I318	0.89381 (3)	0.10214 (12)	0.48753 (6)	0.0988 (7)
I301	0.37886 (7)	0.4001 (3)	0.39943 (16)	0.0794 (14)	0.70 (2)
I303	0.36476 (6)	0.3446 (6)	0.74370 (19)	0.0769 (18)	0.59 (3)
I411	0.72876 (19)	0.4798 (10)	0.7617 (6)	0.196 (8)	0.43 (2)
I310	0.60214 (4)	0.97237 (11)	0.76615 (5)	0.1192 (10)
I314	0.74670 (15)	−0.4779 (6)	0.8970 (2)	0.092 (2)	0.69 (4)
I302	0.43365 (9)	0.5011 (3)	0.43253 (11)	0.0867 (16)	0.70 (2)
I306	0.55898 (6)	0.0370 (2)	0.84120 (10)	0.0677 (13)	0.562 (10)
I305	0.55877 (7)	0.0349 (3)	0.94696 (8)	0.0717 (13)	0.562 (10)
I408	0.5817 (3)	0.9808 (8)	1.0591 (4)	0.1147 (19)	0.4043
I313	0.69794 (9)	−0.3298 (8)	0.9065 (2)	0.103 (3)	0.69 (4)
I412	0.72881 (15)	0.4308 (9)	0.6557 (5)	0.151 (5)	0.43 (2)
I407	0.53274 (19)	0.8317 (13)	1.0682 (3)	0.134 (6)	0.4043
I315	0.71758 (7)	−0.3863 (4)	0.55730 (16)	0.0861 (15)	0.514 (3)
I316	0.77129 (14)	−0.4839 (5)	0.60026 (15)	0.109 (2)	0.514 (3)
Zn35	0.57874 (5)	0.85781 (18)	0.74739 (7)	0.0715 (10)
Zn32	0.39636 (8)	0.3532 (5)	0.73782 (17)	0.049 (3)	0.59 (3)
Zn44	0.5638 (3)	0.8395 (16)	1.0587 (5)	0.0678 (19)	0.4043
Zn37	0.72888 (12)	−0.3352 (6)	0.8965 (2)	0.060 (3)	0.69 (4)
Zn31	0.40997 (11)	0.3823 (5)	0.42391 (15)	0.0623 (15)	0.70 (2)
Zn39	0.88472 (5)	0.12100 (18)	0.54282 (9)	0.0741 (9)
Zn36	0.71782 (14)	0.3994 (8)	0.7089 (5)	0.147 (11)	0.43 (2)
Zn33	0.54779 (9)	0.0956 (4)	0.89144 (17)	0.0511 (17)	0.562 (10)
Zn38	0.74833 (14)	−0.3649 (6)	0.5866 (2)	0.074 (4)	0.514 (3)
N310	0.4603 (3)	−0.0354 (10)	0.8710 (4)	0.057 (4)
N314	0.5580 (2)	0.5584 (9)	0.8659 (3)	0.049 (4)
N320	0.6303 (2)	0.5288 (9)	0.6915 (3)	0.045 (4)
N309	0.4325 (2)	0.0147 (9)	0.8469 (4)	0.052 (3)
N326	0.7278 (2)	−0.0699 (10)	0.7029 (4)	0.053 (4)
N302	0.4019 (3)	0.2089 (9)	0.5786 (4)	0.058 (4)
N315	0.5564 (2)	0.5582 (8)	0.9225 (3)	0.048 (4)
N316	0.5642 (2)	0.6921 (8)	0.8980 (3)	0.051 (4)
N304	0.3952 (2)	0.0719 (9)	0.6015 (4)	0.055 (4)
N305	0.3876 (3)	−0.2435 (10)	0.5540 (5)	0.067 (5)
N321	0.6025 (2)	0.4781 (11)	0.6679 (4)	0.056 (4)
N313	0.5500 (3)	0.2348 (10)	0.8898 (5)	0.065 (4)
N307	0.4098 (3)	0.2696 (11)	0.7725 (4)	0.059 (5)
N318	0.5743 (3)	0.7858 (10)	0.7886 (4)	0.069 (5)
N319	0.5899 (3)	0.7583 (9)	0.7237 (4)	0.054 (4)
N323	0.5785 (3)	0.2354 (11)	0.5911 (4)	0.064 (5)
N308	0.4575 (3)	0.0977 (11)	0.8400 (4)	0.060 (4)
C360	0.6134 (3)	0.5358 (9)	0.6845 (4)	0.041 (4)
N327	0.7245 (3)	−0.0549 (10)	0.7593 (4)	0.059 (4)
N328	0.7331 (2)	−0.1928 (10)	0.7374 (4)	0.054 (4)
N303	0.3962 (3)	0.0853 (11)	0.5447 (4)	0.066 (5)
N330	0.7461 (3)	−0.2972 (11)	0.6301 (4)	0.074 (6)
N324	0.6916 (3)	0.4152 (11)	0.6978 (6)	0.071 (5)
N306	0.3989 (3)	0.2872 (11)	0.6948 (5)	0.071 (5)
N333	0.7696 (3)	0.0260 (13)	0.5090 (4)	0.066 (5)
N335	0.7433 (3)	0.2540 (12)	0.4291 (4)	0.062 (5)
N301	0.4103 (3)	0.3124 (11)	0.4672 (4)	0.076 (5)
N325	0.7203 (3)	0.2588 (12)	0.7146 (5)	0.069 (5)
N312	0.5216 (3)	0.0768 (13)	0.8803 (6)	0.075 (6)
C321	0.4292 (3)	0.1490 (11)	0.8137 (5)	0.052 (5)
C345	0.5614 (3)	0.6906 (12)	0.9549 (4)	0.050 (5)
N322	0.6274 (2)	0.3956 (11)	0.6596 (4)	0.055 (4)
N332	0.7980 (3)	−0.0206 (10)	0.5319 (4)	0.059 (5)
C363	0.5991 (3)	0.3486 (11)	0.6335 (4)	0.053 (5)
C324	0.4403 (3)	0.0859 (10)	0.8344 (4)	0.049 (4)
C342	0.5555 (3)	0.5166 (11)	0.8927 (4)	0.050 (4)
C381	0.7282 (3)	−0.1867 (13)	0.7932 (5)	0.052 (5)
C307	0.3938 (3)	0.0362 (12)	0.5699 (5)	0.058 (5)
C309	0.3915 (3)	−0.0602 (12)	0.5665 (5)	0.056 (5)
C361	0.6107 (3)	0.4106 (13)	0.6552 (5)	0.050 (5)
N311	0.4215 (3)	−0.2759 (11)	0.9005 (4)	0.064 (4)
N317	0.5638 (3)	0.7828 (11)	1.0134 (4)	0.069 (6)
N329	0.7294 (3)	−0.2747 (12)	0.8524 (4)	0.063 (5)
N336	0.8583 (3)	0.1058 (13)	0.5369 (5)	0.076 (6)
C352	0.5666 (3)	0.6968 (11)	0.8421 (4)	0.053 (5)
C325	0.4434 (3)	−0.0418 (12)	0.8639 (4)	0.054 (4)
C356	0.5886 (3)	0.6386 (13)	0.6868 (5)	0.057 (5)
H356	0.581937	0.603699	0.670086	0.069*
C338	0.5540 (3)	0.3698 (12)	0.9201 (5)	0.063 (5)
H338	0.554895	0.398233	0.940743	0.075*
C303	0.4036 (3)	0.2188 (12)	0.5216 (4)	0.061 (5)
C304	0.4062 (3)	0.3119 (13)	0.5229 (5)	0.064 (5)
H304	0.405778	0.344956	0.542159	0.076*
C357	0.6055 (3)	0.6155 (12)	0.6976 (4)	0.046 (4)
C380	0.7324 (3)	−0.1545 (11)	0.7095 (5)	0.054 (5)
C354	0.5762 (4)	0.8258 (13)	0.8181 (5)	0.069 (7)
H354	0.580468	0.885183	0.820794	0.083*
C316	0.3988 (3)	0.1995 (12)	0.6353 (4)	0.057 (5)
N334	0.7936 (2)	0.1088 (12)	0.4988 (5)	0.064 (5)
C378	0.7249 (3)	−0.0213 (13)	0.7288 (5)	0.059 (5)
C306	0.4005 (3)	0.1705 (12)	0.5496 (5)	0.058 (5)
C308	0.3986 (3)	0.1542 (11)	0.6038 (5)	0.055 (5)
C388	0.7371 (3)	−0.2069 (11)	0.6818 (5)	0.051 (5)
C343	0.5606 (3)	0.6455 (11)	0.9235 (4)	0.050 (4)
N331	0.7605 (4)	−0.2630 (14)	0.5650 (6)	0.089 (6)
C315	0.4029 (4)	0.2935 (14)	0.6408 (5)	0.069 (6)
H315	0.405866	0.328091	0.623405	0.082*
C339	0.5530 (3)	0.4177 (11)	0.8915 (5)	0.052 (4)
C341	0.5482 (3)	0.2828 (12)	0.8631 (6)	0.066 (5)
H341	0.545591	0.252446	0.842850	0.079*
C344	0.5625 (3)	0.6477 (11)	0.8696 (4)	0.050 (4)
C327	0.4359 (3)	−0.1218 (13)	0.8756 (5)	0.058 (4)
C379	0.7287 (3)	−0.1422 (12)	0.7619 (5)	0.052 (4)
C362	0.6369 (3)	0.4556 (12)	0.6784 (4)	0.051 (5)
C364	0.5828 (3)	0.3349 (13)	0.6349 (5)	0.064 (6)
H364	0.577985	0.362462	0.651826	0.076*
C355	0.5808 (3)	0.7098 (13)	0.6990 (5)	0.055 (5)
H355	0.569223	0.725303	0.690244	0.066*
C329	0.4121 (4)	−0.2167 (14)	0.8808 (5)	0.071 (5)
H329	0.400058	−0.228289	0.875208	0.085*
C334	0.4859 (3)	0.0501 (14)	0.8675 (6)	0.066 (6)
C305	0.4095 (3)	0.3529 (13)	0.4953 (5)	0.063 (5)
H305	0.411461	0.415627	0.496263	0.076*
C320	0.4126 (3)	0.1374 (15)	0.8064 (5)	0.063 (6)
H320	0.407305	0.088262	0.815240	0.076*
C389	0.7412 (3)	−0.2939 (13)	0.6843 (6)	0.068 (6)
H389	0.740587	−0.324299	0.704109	0.082*
C348	0.5690 (3)	0.8184 (12)	0.9884 (5)	0.063 (6)
H348	0.574197	0.876043	0.990754	0.075*
C351	0.5649 (4)	0.6574 (11)	0.8111 (5)	0.068 (7)
H351	0.561207	0.596991	0.808134	0.081*
C353	0.5719 (4)	0.7806 (13)	0.8437 (5)	0.070 (7)
H353	0.572741	0.810971	0.863955	0.084*
C397	0.7773 (3)	0.0903 (17)	0.4945 (5)	0.067 (6)
C382	0.7240 (4)	−0.1411 (15)	0.8196 (5)	0.072 (7)
H382	0.720797	−0.079755	0.818038	0.086*
C337	0.5536 (3)	0.2780 (13)	0.9168 (6)	0.072 (6)
H337	0.556221	0.243633	0.936231	0.086*
C401	0.7367 (4)	0.2032 (18)	0.4494 (6)	0.079 (7)
H401	0.724569	0.203678	0.449334	0.094*
C406	0.8226 (4)	0.0727 (17)	0.5247 (6)	0.076 (7)
C319	0.4025 (3)	0.1974 (16)	0.7853 (5)	0.069 (7)
H319	0.390352	0.187919	0.779867	0.083*
C398	0.8038 (3)	0.0527 (17)	0.5171 (5)	0.068 (6)
C375	0.7228 (3)	0.0747 (14)	0.7247 (6)	0.064 (6)
C311	0.3864 (4)	−0.1866 (13)	0.5288 (6)	0.080 (6)
H311	0.383976	−0.207921	0.507027	0.096*
C314	0.4026 (4)	0.3316 (14)	0.6686 (5)	0.070 (6)
H314	0.405203	0.393634	0.670737	0.085*
C323	0.4264 (3)	0.2841 (15)	0.7828 (5)	0.065 (6)
H323	0.431452	0.335696	0.775004	0.078*
C326	0.4667 (3)	0.0332 (13)	0.8589 (5)	0.062 (4)
C370	0.6559 (3)	0.4405 (13)	0.6853 (5)	0.057 (5)
C365	0.5725 (4)	0.2818 (17)	0.6127 (6)	0.080 (8)
H365	0.560432	0.279079	0.613305	0.096*
C396	0.7813 (3)	−0.0308 (15)	0.5262 (5)	0.062 (6)
C340	0.5500 (3)	0.3749 (11)	0.8626 (5)	0.057 (5)
H340	0.549054	0.406765	0.842625	0.069*
C359	0.6067 (4)	0.7413 (14)	0.7332 (6)	0.068 (6)
H359	0.613261	0.778335	0.749354	0.081*
C400	0.7476 (3)	0.1479 (14)	0.4714 (5)	0.061 (6)
H400	0.742700	0.109538	0.485598	0.074*
C349	0.5675 (3)	0.7766 (13)	0.9583 (6)	0.064 (6)
H349	0.570597	0.807252	0.940252	0.077*
C350	0.5684 (4)	0.7040 (14)	0.7857 (5)	0.077 (8)
H350	0.566574	0.676619	0.764802	0.092*
O1A	0.5051 (3)	0.2559 (14)	0.8004 (6)	0.070 (7)	0.633
H1A	0.501805	0.213899	0.811352	0.104*	0.633
C310	0.3887 (4)	−0.0956 (13)	0.5354 (6)	0.070 (6)
H310	0.388333	−0.055794	0.517499	0.084*
C346	0.5566 (4)	0.6518 (14)	0.9810 (5)	0.079 (8)
H346	0.552292	0.592285	0.979427	0.095*
C318	0.3953 (4)	0.1992 (14)	0.6915 (5)	0.077 (6)
H318	0.392664	0.166617	0.709558	0.092*
C328	0.4182 (3)	−0.1401 (15)	0.8678 (5)	0.066 (5)
H328	0.410640	−0.101427	0.854061	0.080*
C317	0.3953 (4)	0.1552 (15)	0.6620 (5)	0.078 (6)
H317	0.392939	0.092895	0.660576	0.093*
C335	0.4958 (4)	0.012 (2)	0.8922 (8)	0.097 (10)
H335	0.490717	−0.026534	0.905976	0.116*
C399	0.7651 (3)	0.1490 (14)	0.4725 (5)	0.062 (5)
C7A	0.4679 (4)	0.4525 (12)	0.7584 (6)	0.052 (7)	0.633
O2A	0.4768 (3)	0.4716 (15)	0.7082 (6)	0.076 (7)	0.633
C4A	0.4655 (3)	0.3546 (13)	0.7506 (7)	0.054 (7)	0.633
C376	0.7216 (4)	0.1131 (13)	0.6926 (6)	0.082 (8)
H376	0.721973	0.076197	0.674154	0.098*
C390	0.7464 (4)	−0.3418 (15)	0.6585 (6)	0.076 (7)
H390	0.749909	−0.402528	0.660827	0.091*
C385	0.7332 (4)	−0.2776 (16)	0.7981 (5)	0.075 (7)
H385	0.736256	−0.310859	0.780535	0.090*
C368	0.6837 (3)	0.471 (2)	0.7157 (10)	0.118 (14)
H368	0.690635	0.501042	0.733252	0.141*
C358	0.6151 (3)	0.6698 (18)	0.7201 (6)	0.075 (7)
H358	0.627157	0.659667	0.726765	0.089*
C313	0.3917 (4)	−0.1202 (12)	0.5915 (6)	0.073 (6)
H313	0.392887	−0.100237	0.613429	0.087*
C302	0.4047 (4)	0.1763 (12)	0.4927 (5)	0.088 (7)
H302	0.403396	0.113242	0.490744	0.105*
C393	0.7744 (4)	−0.1113 (19)	0.5395 (7)	0.084 (6)
C312	0.3900 (3)	−0.2116 (12)	0.5840 (6)	0.069 (5)
H312	0.390583	−0.252922	0.601464	0.082*
C333	0.4939 (3)	0.103 (3)	0.8484 (8)	0.102 (11)
H333	0.487533	0.131626	0.829864	0.123*
C404	0.8508 (4)	0.045 (3)	0.5550 (7)	0.106 (12)
H404	0.857931	0.015922	0.572723	0.127*
C377	0.7199 (4)	0.2068 (18)	0.6892 (7)	0.101 (10)
H377	0.718495	0.232590	0.668089	0.122*
C384	0.7337 (3)	−0.3171 (16)	0.8268 (5)	0.068 (6)
H384	0.737223	−0.377876	0.829084	0.082*
C3A	0.4518 (3)	0.3271 (14)	0.7272 (6)	0.051 (7)	0.633
H3A	0.444529	0.370527	0.715126	0.061*	0.633
C2A	0.4487 (4)	0.2365 (15)	0.7209 (7)	0.059 (7)	0.633
H2A	0.439072	0.217811	0.705180	0.070*	0.633
C5A	0.4768 (3)	0.2923 (16)	0.7679 (7)	0.065 (7)	0.633
O3A	0.4585 (3)	0.4282 (15)	0.8079 (6)	0.069 (6)	0.633
C331	0.4459 (4)	−0.1871 (15)	0.8938 (7)	0.082 (6)
H331	0.458171	−0.182802	0.897162	0.098*
C347	0.5579 (4)	0.6979 (13)	1.0105 (5)	0.089 (10)
H347	0.554694	0.668844	1.028813	0.107*
C374	0.7214 (4)	0.1357 (16)	0.7504 (7)	0.087 (9)
H374	0.720755	0.114211	0.771652	0.105*
C392	0.7575 (4)	−0.1397 (17)	0.5298 (5)	0.077 (5)
H392	0.750250	−0.105648	0.513591	0.092*
C336	0.5133 (4)	0.026 (2)	0.8986 (8)	0.099 (10)
H336	0.519838	−0.001471	0.917230	0.118*
C369	0.6662 (4)	0.4863 (17)	0.7106 (8)	0.095 (10)
H369	0.661210	0.527193	0.723820	0.114*
C383	0.7245 (4)	−0.1882 (16)	0.8484 (5)	0.080 (8)
H383	0.721324	−0.157623	0.866407	0.097*
C373	0.7209 (3)	0.2290 (14)	0.7438 (6)	0.065 (6)
H373	0.721032	0.270182	0.761218	0.078*
C322	0.4370 (3)	0.2280 (15)	0.8044 (7)	0.075 (7)
H322	0.448784	0.242158	0.812458	0.090*
C8A	0.4736 (4)	0.5099 (14)	0.7363 (7)	0.058 (7)	0.633
C467	0.6054 (10)	0.262 (4)	0.627 (3)	0.076 (9)	0.164
H467	0.616867	0.244134	0.636068	0.091*	0.164
C387	0.7372 (4)	−0.1598 (15)	0.6524 (5)	0.088 (9)
H387	0.734471	−0.098049	0.649850	0.105*
C11A	0.4656 (5)	0.5793 (17)	0.7935 (7)	0.074 (9)	0.633
H11A	0.462613	0.602809	0.812955	0.089*	0.633
C301	0.4077 (5)	0.2278 (15)	0.4666 (5)	0.096 (8)
H301	0.407904	0.197780	0.446548	0.115*
C372	0.6818 (5)	0.377 (3)	0.6738 (10)	0.121 (13)
H372	0.687278	0.339466	0.660235	0.145*
C408	0.8487 (4)	0.142 (2)	0.5123 (8)	0.115 (13)
H408	0.854123	0.178125	0.498199	0.138*
C371	0.6636 (4)	0.386 (2)	0.6656 (7)	0.099 (11)
H371	0.657073	0.355836	0.647488	0.119*
C407	0.8309 (4)	0.131 (2)	0.5053 (9)	0.125 (15)
H407	0.824270	0.162486	0.487641	0.149*
C466	0.5945 (12)	0.204 (5)	0.607 (4)	0.093 (12)	0.164
H466	0.597949	0.144300	0.604131	0.112*	0.164
C502	0.7587 (10)	0.287 (4)	0.443 (3)	0.096 (13)	0.21 (7)
H502	0.761205	0.348408	0.440434	0.115*	0.21 (7)
C391	0.7503 (4)	−0.2149 (17)	0.5421 (7)	0.085 (6)
H391	0.738602	−0.231609	0.534661	0.103*
C395	0.7767 (5)	−0.238 (2)	0.5754 (9)	0.118 (9)
H395	0.783430	−0.272483	0.592225	0.142*
C332	0.5124 (5)	0.113 (2)	0.8567 (9)	0.110 (11)
H332	0.517985	0.150975	0.843213	0.132*
C330	0.4379 (4)	−0.2607 (18)	0.9076 (7)	0.091 (7)
H330	0.444877	−0.299403	0.922497	0.110*
C394	0.7847 (4)	−0.164 (2)	0.5626 (8)	0.103 (8)
H394	0.796593	−0.150574	0.569658	0.124*
C386	0.7418 (5)	−0.2121 (19)	0.6275 (7)	0.118 (13)
H386	0.741781	−0.184121	0.606993	0.142*
C1A	0.4598 (4)	0.1738 (16)	0.7381 (7)	0.065 (8)	0.633
H1AA	0.457915	0.111785	0.733908	0.078*	0.633
C405	0.8337 (4)	0.024 (2)	0.5484 (7)	0.095 (10)
H405	0.829213	−0.023543	0.559705	0.114*
C503	0.7710 (8)	0.234 (5)	0.461 (3)	0.096 (13)	0.21 (7)
H503	0.782796	0.251584	0.466502	0.115*	0.21 (7)
C12A	0.4641 (4)	0.4878 (16)	0.7874 (7)	0.061 (7)	0.633
C9A	0.4757 (4)	0.6008 (15)	0.7432 (7)	0.072 (9)	0.633
H9A	0.480145	0.638900	0.728337	0.086*	0.633
C14A	0.4846 (5)	0.527 (3)	0.6865 (11)	0.093 (14)	0.633
H14A	0.486131	0.491703	0.667277	0.139*	0.633
H14B	0.495899	0.547988	0.697605	0.139*	0.633
H14C	0.477071	0.578028	0.679650	0.139*	0.633
C10A	0.4713 (5)	0.6363 (16)	0.7715 (8)	0.075 (9)	0.633
H10A	0.472302	0.698721	0.775639	0.089*	0.633
C13A	0.4916 (4)	0.321 (2)	0.7939 (9)	0.073 (9)	0.633
H13A	0.496558	0.377410	0.786895	0.087*	0.633
H13B	0.487121	0.333726	0.814205	0.087*	0.633
C6A	0.4736 (4)	0.2017 (17)	0.7614 (7)	0.070 (8)	0.633
H6A	0.480998	0.158202	0.773086	0.084*	0.633
C15A	0.4540 (7)	0.463 (3)	0.8375 (11)	0.115 (17)	0.633
H15A	0.441379	0.462491	0.835920	0.172*	0.633
H15B	0.458303	0.524276	0.840910	0.172*	0.633
H15C	0.459250	0.425470	0.855878	0.172*	0.633
I404	0.4097 (3)	0.4911 (6)	0.7347 (3)	0.143 (6)	0.41 (3)
Zn42	0.3945 (2)	0.3439 (9)	0.7364 (2)	0.099 (8)	0.41 (3)
I403	0.36304 (18)	0.3261 (14)	0.7422 (3)	0.132 (6)	0.41 (3)
I414	0.7412 (6)	−0.4922 (11)	0.8933 (5)	0.134 (8)	0.31 (4)
Zn47	0.7268 (4)	−0.3409 (15)	0.8946 (5)	0.105 (13)	0.31 (4)
I413	0.6959 (3)	−0.320 (2)	0.9031 (7)	0.139 (9)	0.31 (4)
I401	0.3846 (3)	0.4016 (10)	0.3954 (2)	0.111 (4)	0.30 (2)
Zn41	0.4150 (3)	0.3695 (10)	0.4237 (4)	0.0623 (15)	0.30 (2)
I402	0.4403 (4)	0.4805 (11)	0.4384 (7)	0.155 (7)	0.30 (2)
I405	0.56117 (17)	0.0269 (8)	0.9327 (6)	0.322 (13)	0.438 (10)
Zn43	0.54789 (16)	0.0984 (7)	0.8803 (5)	0.166 (10)	0.438 (10)
I406	0.56023 (15)	0.0609 (10)	0.8295 (6)	0.332 (12)	0.438 (10)
I416	0.7777 (2)	−0.4678 (8)	0.6087 (4)	0.229 (11)	0.427 (3)
Zn48	0.7517 (2)	−0.3692 (7)	0.5904 (3)	0.153 (12)	0.427 (3)
I415	0.72178 (19)	−0.4149 (6)	0.5612 (2)	0.207 (9)	0.427 (3)
I307	0.53268 (12)	0.8395 (10)	1.0666 (2)	0.127 (4)	0.556
Zn34	0.5634 (2)	0.8513 (11)	1.0563 (3)	0.0678 (19)	0.556
I308	0.5793 (2)	0.9975 (5)	1.0537 (3)	0.1147 (19)	0.556
I312	0.72788 (11)	0.4135 (5)	0.64786 (14)	0.089 (2)	0.57 (2)
Zn46	0.71793 (9)	0.3960 (4)	0.70257 (16)	0.054 (2)	0.57 (2)
I311	0.73015 (8)	0.4917 (4)	0.75153 (14)	0.0680 (17)	0.57 (2)
I507	0.5421 (7)	0.896 (4)	1.0607 (12)	0.080*	0.0398
I508	0.5957 (6)	0.972 (3)	1.0554 (12)	0.080*	0.0398
Zn54	0.5712 (7)	0.866 (8)	1.049 (3)	0.080*	0.0398
Zn58	0.7644 (7)	−0.369 (7)	0.6048 (19)	0.080*	0.059 (2)
I515	0.7419 (4)	−0.463 (2)	0.5689 (8)	0.080*	0.059 (2)
I516	0.7912 (4)	−0.434 (2)	0.6396 (8)	0.080*	0.059 (2)
C403	0.7718 (4)	0.199 (3)	0.4475 (11)	0.096 (13)	0.79 (7)
H403	0.783669	0.196533	0.445509	0.115*	0.79 (7)
C402	0.7602 (4)	0.250 (3)	0.4267 (11)	0.096 (13)	0.79 (7)
H402	0.764201	0.283038	0.410149	0.115*	0.79 (7)
C367	0.6064 (4)	0.3049 (18)	0.6085 (7)	0.076 (9)	0.836
H367	0.618183	0.312762	0.606652	0.091*	0.836
C366	0.5956 (5)	0.251 (2)	0.5869 (9)	0.093 (12)	0.836
H366	0.599817	0.223794	0.569159	0.112*	0.836

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I317	0.0891 (11)	0.0357 (7)	0.1209 (15)	0.0008 (7)	0.0107 (10)	0.0183 (8)
I304	0.098 (4)	0.0236 (16)	0.064 (3)	0.0028 (13)	0.0175 (18)	−0.0075 (14)
I309	0.1456 (18)	0.0697 (11)	0.1033 (14)	0.0457 (11)	0.0674 (13)	0.0496 (10)
I318	0.1375 (17)	0.0498 (9)	0.1167 (16)	−0.0026 (10)	0.0433 (13)	−0.0164 (10)
I301	0.118 (3)	0.0635 (18)	0.070 (3)	0.0316 (17)	0.0533 (17)	0.0230 (18)
I303	0.059 (3)	0.086 (3)	0.084 (4)	0.015 (2)	0.0089 (19)	−0.020 (2)
I411	0.123 (8)	0.055 (5)	0.367 (19)	0.024 (5)	−0.079 (10)	−0.074 (9)
I310	0.243 (3)	0.0402 (9)	0.0919 (13)	−0.0367 (12)	0.0793 (16)	−0.0303 (9)
I314	0.145 (6)	0.035 (2)	0.099 (3)	−0.002 (3)	0.030 (3)	0.005 (2)
I302	0.160 (4)	0.0211 (17)	0.088 (2)	−0.0044 (17)	0.045 (2)	−0.0122 (13)
I306	0.091 (2)	0.0138 (12)	0.105 (3)	0.0102 (12)	0.0359 (18)	0.0094 (14)
I305	0.100 (3)	0.0307 (16)	0.075 (2)	−0.0082 (15)	−0.0135 (15)	0.0330 (12)
I408	0.288 (6)	0.010 (3)	0.041 (3)	−0.001 (4)	0.016 (3)	0.008 (2)
I313	0.072 (4)	0.150 (5)	0.088 (4)	−0.026 (3)	0.015 (2)	0.035 (4)
I412	0.089 (5)	0.040 (4)	0.321 (16)	−0.008 (3)	0.027 (7)	0.049 (6)
I407	0.168 (10)	0.180 (14)	0.053 (5)	0.050 (8)	0.018 (6)	−0.062 (7)
I315	0.119 (3)	0.062 (3)	0.085 (3)	−0.038 (2)	0.039 (2)	−0.021 (2)
I316	0.212 (7)	0.050 (3)	0.084 (3)	0.022 (3)	0.074 (3)	0.018 (2)
Zn35	0.150 (3)	0.0310 (13)	0.0461 (15)	0.0148 (15)	0.0526 (17)	0.0069 (11)
Zn32	0.061 (4)	0.031 (4)	0.053 (5)	0.011 (3)	0.006 (3)	−0.002 (3)
Zn44	0.146 (3)	0.029 (4)	0.026 (2)	0.030 (3)	0.0078 (19)	0.002 (3)
Zn37	0.077 (5)	0.046 (4)	0.056 (5)	−0.009 (4)	0.013 (3)	0.002 (3)
Zn31	0.134 (5)	0.016 (2)	0.0471 (15)	0.026 (2)	0.045 (3)	0.0031 (14)
Zn39	0.092 (2)	0.0261 (13)	0.104 (3)	−0.0013 (13)	0.0170 (19)	0.0049 (14)
Zn36	0.059 (9)	0.042 (8)	0.32 (3)	0.005 (6)	−0.022 (11)	−0.017 (11)
Zn33	0.071 (4)	0.015 (3)	0.065 (3)	−0.006 (2)	0.003 (3)	0.021 (2)
Zn38	0.128 (9)	0.044 (7)	0.056 (6)	−0.009 (6)	0.030 (5)	0.001 (5)
N310	0.102 (9)	0.026 (6)	0.044 (8)	−0.004 (7)	0.014 (7)	−0.002 (6)
N314	0.116 (12)	0.016 (5)	0.019 (5)	0.014 (6)	0.021 (6)	−0.005 (4)
N320	0.084 (12)	0.016 (6)	0.039 (8)	−0.002 (7)	0.016 (7)	−0.004 (6)
N309	0.104 (9)	0.012 (6)	0.042 (7)	−0.005 (6)	0.016 (7)	0.001 (5)
N326	0.076 (11)	0.026 (6)	0.060 (8)	−0.002 (6)	0.022 (8)	−0.002 (5)
N302	0.118 (13)	0.018 (6)	0.046 (7)	0.019 (7)	0.031 (7)	0.017 (5)
N315	0.111 (12)	0.007 (5)	0.028 (5)	0.009 (6)	0.018 (7)	0.001 (4)
N316	0.116 (12)	0.010 (5)	0.031 (6)	0.006 (6)	0.026 (7)	−0.005 (4)
N304	0.111 (12)	0.008 (5)	0.051 (7)	0.008 (6)	0.029 (8)	0.005 (5)
N305	0.103 (13)	0.019 (7)	0.081 (9)	−0.010 (8)	0.019 (9)	0.003 (5)
N321	0.090 (13)	0.041 (9)	0.044 (9)	−0.006 (8)	0.029 (8)	−0.017 (7)
N313	0.094 (12)	0.023 (7)	0.072 (8)	−0.001 (7)	−0.006 (8)	−0.006 (5)
N307	0.097 (14)	0.031 (8)	0.052 (10)	−0.008 (9)	0.021 (9)	0.015 (7)
N318	0.150 (17)	0.025 (6)	0.043 (7)	0.002 (8)	0.048 (9)	0.000 (6)
N319	0.101 (14)	0.018 (7)	0.052 (9)	−0.011 (8)	0.036 (9)	−0.011 (6)
N323	0.132 (17)	0.034 (9)	0.027 (7)	−0.011 (9)	0.018 (9)	0.010 (6)
N308	0.093 (9)	0.037 (8)	0.050 (9)	−0.008 (7)	0.008 (8)	0.005 (6)
C360	0.087 (14)	0.005 (6)	0.035 (8)	0.001 (7)	0.020 (9)	−0.006 (6)
N327	0.097 (13)	0.024 (6)	0.059 (8)	−0.002 (7)	0.018 (8)	−0.014 (6)
N328	0.083 (12)	0.031 (7)	0.051 (7)	0.002 (7)	0.021 (7)	−0.003 (5)
N303	0.122 (14)	0.030 (6)	0.051 (8)	0.009 (7)	0.030 (8)	0.006 (5)
N330	0.16 (2)	0.026 (8)	0.051 (10)	−0.013 (10)	0.047 (11)	0.010 (7)
N324	0.084 (14)	0.027 (9)	0.097 (15)	0.007 (9)	0.001 (11)	0.013 (9)
N306	0.121 (14)	0.032 (7)	0.066 (9)	0.027 (8)	0.033 (9)	0.017 (6)
N333	0.099 (14)	0.065 (12)	0.039 (9)	−0.005 (10)	0.025 (9)	0.005 (8)
N335	0.091 (14)	0.040 (9)	0.057 (10)	0.008 (9)	0.022 (9)	−0.002 (8)
N301	0.170 (17)	0.026 (6)	0.044 (7)	0.001 (9)	0.054 (9)	0.004 (6)
N325	0.082 (13)	0.043 (10)	0.078 (13)	−0.001 (9)	0.004 (10)	−0.014 (9)
N312	0.088 (15)	0.039 (10)	0.087 (15)	0.013 (10)	−0.015 (12)	−0.006 (10)
C321	0.078 (14)	0.020 (8)	0.061 (12)	−0.002 (9)	0.014 (10)	0.013 (8)
C345	0.091 (15)	0.025 (9)	0.035 (9)	0.008 (9)	0.009 (9)	−0.005 (7)
N322	0.074 (12)	0.048 (10)	0.038 (8)	0.003 (8)	0.000 (8)	−0.014 (7)
N332	0.099 (15)	0.028 (8)	0.054 (10)	−0.003 (8)	0.024 (9)	0.008 (7)
C363	0.105 (17)	0.021 (8)	0.035 (9)	−0.014 (9)	0.015 (10)	−0.020 (7)
C324	0.093 (9)	0.005 (6)	0.047 (9)	−0.007 (6)	0.009 (8)	−0.005 (5)
C342	0.111 (14)	0.024 (7)	0.019 (6)	0.014 (8)	0.019 (7)	−0.005 (5)
C381	0.068 (13)	0.032 (9)	0.055 (11)	−0.013 (9)	0.011 (9)	−0.016 (8)
C307	0.108 (15)	0.020 (7)	0.051 (7)	0.005 (8)	0.028 (8)	0.002 (5)
C309	0.099 (14)	0.016 (7)	0.056 (8)	0.000 (8)	0.020 (9)	0.007 (5)
C361	0.063 (13)	0.042 (10)	0.042 (10)	−0.009 (9)	0.003 (9)	−0.014 (8)
N311	0.123 (11)	0.031 (8)	0.044 (8)	0.007 (8)	0.026 (9)	0.013 (6)
N317	0.137 (18)	0.030 (9)	0.036 (8)	0.012 (10)	0.004 (9)	0.009 (7)
N329	0.088 (13)	0.049 (10)	0.055 (10)	0.001 (9)	0.020 (9)	−0.003 (8)
N336	0.101 (16)	0.046 (11)	0.078 (14)	0.012 (10)	0.012 (11)	0.015 (10)
C352	0.113 (16)	0.021 (6)	0.034 (7)	0.017 (7)	0.035 (9)	0.009 (6)
C325	0.101 (9)	0.030 (8)	0.032 (8)	0.000 (7)	0.012 (8)	0.000 (6)
C356	0.080 (15)	0.035 (10)	0.059 (12)	−0.006 (10)	0.016 (10)	−0.005 (9)
C338	0.115 (15)	0.019 (7)	0.051 (8)	−0.011 (8)	0.007 (9)	−0.002 (6)
C303	0.138 (17)	0.023 (7)	0.028 (7)	0.016 (8)	0.029 (9)	0.008 (6)
C304	0.130 (16)	0.026 (7)	0.042 (8)	0.006 (9)	0.034 (9)	−0.007 (6)
C357	0.069 (13)	0.039 (10)	0.033 (9)	−0.007 (9)	0.016 (8)	−0.006 (7)
C380	0.091 (14)	0.017 (6)	0.057 (8)	−0.006 (7)	0.022 (9)	−0.002 (6)
C354	0.15 (2)	0.025 (8)	0.042 (8)	0.003 (10)	0.050 (10)	−0.003 (6)
C316	0.122 (15)	0.021 (7)	0.036 (8)	0.014 (8)	0.034 (9)	0.008 (6)
N334	0.070 (12)	0.051 (11)	0.069 (12)	−0.009 (9)	0.010 (9)	0.017 (9)
C378	0.086 (15)	0.029 (8)	0.063 (8)	0.001 (8)	0.016 (9)	−0.007 (6)
C306	0.102 (14)	0.026 (6)	0.051 (7)	0.015 (7)	0.032 (9)	0.006 (6)
C308	0.108 (14)	0.014 (5)	0.046 (8)	0.009 (7)	0.024 (9)	0.008 (5)
C388	0.087 (15)	0.020 (8)	0.048 (10)	−0.007 (8)	0.018 (10)	−0.018 (7)
C343	0.107 (13)	0.014 (5)	0.032 (7)	0.010 (7)	0.021 (8)	0.000 (5)
N331	0.146 (15)	0.048 (11)	0.086 (13)	−0.008 (10)	0.057 (11)	−0.002 (8)
C315	0.125 (17)	0.029 (7)	0.057 (9)	0.002 (9)	0.030 (10)	0.003 (7)
C339	0.097 (14)	0.014 (7)	0.046 (7)	0.000 (7)	0.012 (8)	−0.007 (5)
C341	0.109 (15)	0.018 (7)	0.067 (9)	0.000 (8)	0.004 (10)	−0.014 (6)
C344	0.101 (13)	0.021 (6)	0.029 (6)	0.015 (7)	0.021 (7)	−0.004 (5)
C327	0.103 (11)	0.026 (8)	0.048 (10)	0.013 (7)	0.019 (9)	0.009 (7)
C379	0.077 (13)	0.030 (7)	0.051 (8)	−0.001 (7)	0.014 (9)	−0.007 (6)
C362	0.086 (15)	0.028 (9)	0.037 (9)	0.008 (9)	0.003 (9)	−0.001 (7)
C364	0.109 (19)	0.036 (11)	0.049 (11)	−0.024 (11)	0.023 (11)	−0.022 (9)
C355	0.079 (14)	0.037 (10)	0.055 (11)	0.017 (9)	0.024 (10)	0.020 (9)
C329	0.116 (12)	0.040 (9)	0.060 (11)	0.004 (8)	0.025 (10)	0.026 (8)
C334	0.080 (16)	0.034 (11)	0.085 (16)	0.002 (10)	0.018 (13)	−0.004 (11)
C305	0.125 (16)	0.024 (7)	0.048 (8)	0.005 (9)	0.037 (9)	−0.005 (6)
C320	0.095 (18)	0.049 (12)	0.043 (11)	−0.014 (11)	0.004 (11)	0.016 (9)
C389	0.100 (18)	0.021 (9)	0.087 (16)	0.007 (10)	0.026 (13)	0.003 (10)
C348	0.12 (2)	0.022 (9)	0.043 (10)	−0.001 (10)	0.014 (11)	0.001 (8)
C351	0.16 (2)	0.013 (7)	0.043 (8)	0.006 (9)	0.043 (10)	−0.003 (5)
C353	0.16 (2)	0.034 (7)	0.031 (8)	−0.008 (10)	0.044 (11)	−0.010 (6)
C397	0.079 (16)	0.081 (17)	0.042 (11)	−0.020 (13)	0.016 (10)	0.022 (11)
C382	0.14 (2)	0.042 (12)	0.044 (11)	0.015 (12)	0.030 (12)	−0.012 (9)
C337	0.113 (16)	0.022 (7)	0.071 (9)	−0.008 (9)	−0.009 (10)	−0.002 (6)
C401	0.102 (19)	0.071 (17)	0.064 (14)	−0.021 (14)	0.016 (13)	0.030 (13)
C406	0.091 (18)	0.061 (15)	0.076 (16)	0.004 (13)	0.020 (13)	0.024 (13)
C319	0.103 (18)	0.060 (14)	0.040 (10)	−0.010 (12)	−0.004 (11)	0.034 (10)
C398	0.094 (18)	0.066 (15)	0.048 (11)	−0.005 (13)	0.026 (11)	0.013 (11)
C375	0.074 (15)	0.038 (11)	0.077 (15)	0.006 (10)	0.005 (11)	−0.013 (10)
C311	0.151 (19)	0.016 (7)	0.075 (10)	−0.004 (9)	0.021 (12)	0.000 (6)
C314	0.129 (17)	0.031 (8)	0.054 (8)	0.003 (10)	0.023 (10)	0.004 (6)
C323	0.097 (18)	0.040 (11)	0.062 (13)	0.008 (11)	0.026 (12)	0.017 (10)
C326	0.094 (10)	0.033 (8)	0.061 (11)	0.004 (7)	0.019 (9)	0.008 (7)
C370	0.082 (15)	0.036 (10)	0.052 (11)	0.004 (10)	0.009 (10)	−0.013 (9)
C365	0.098 (19)	0.067 (16)	0.080 (17)	−0.020 (14)	0.025 (14)	−0.046 (14)
C396	0.096 (18)	0.046 (12)	0.047 (11)	0.001 (12)	0.020 (11)	0.010 (9)
C340	0.106 (14)	0.012 (6)	0.052 (8)	0.007 (7)	0.009 (9)	−0.013 (6)
C359	0.10 (2)	0.035 (11)	0.067 (14)	−0.009 (11)	0.020 (13)	−0.018 (10)
C400	0.103 (18)	0.043 (11)	0.043 (11)	−0.018 (11)	0.028 (11)	0.005 (9)
C349	0.100 (18)	0.029 (10)	0.061 (13)	−0.008 (10)	0.007 (12)	−0.002 (9)
C350	0.17 (2)	0.032 (7)	0.036 (8)	−0.006 (10)	0.045 (11)	−0.004 (6)
O1A	0.093 (17)	0.037 (12)	0.088 (17)	0.015 (11)	0.039 (13)	0.042 (12)
C310	0.131 (17)	0.019 (7)	0.062 (8)	−0.003 (9)	0.020 (10)	−0.005 (7)
C346	0.19 (3)	0.028 (10)	0.032 (10)	0.006 (13)	0.043 (13)	0.002 (8)
C318	0.162 (18)	0.032 (7)	0.045 (8)	0.026 (9)	0.042 (11)	0.023 (7)
C328	0.108 (11)	0.042 (9)	0.049 (10)	0.000 (9)	0.015 (9)	0.016 (8)
C317	0.155 (19)	0.037 (8)	0.053 (9)	0.013 (10)	0.049 (11)	0.019 (6)
C335	0.081 (19)	0.08 (2)	0.11 (2)	0.000 (15)	−0.023 (16)	0.044 (18)
C399	0.083 (16)	0.041 (11)	0.062 (13)	−0.001 (10)	0.015 (11)	0.000 (10)
C7A	0.055 (14)	0.028 (12)	0.074 (16)	0.002 (11)	0.011 (13)	−0.002 (12)
O2A	0.097 (17)	0.036 (12)	0.088 (16)	−0.024 (11)	−0.005 (14)	0.022 (11)
C4A	0.064 (15)	0.031 (13)	0.074 (16)	0.014 (12)	0.030 (13)	0.005 (12)
C376	0.15 (3)	0.020 (10)	0.077 (16)	0.001 (12)	0.032 (16)	−0.017 (10)
C390	0.11 (2)	0.035 (11)	0.081 (17)	0.006 (12)	0.024 (14)	0.009 (11)
C385	0.13 (2)	0.055 (14)	0.040 (11)	−0.003 (14)	0.021 (12)	−0.003 (10)
C368	0.049 (15)	0.10 (2)	0.19 (4)	0.014 (15)	−0.025 (17)	−0.08 (2)
C358	0.077 (16)	0.083 (18)	0.069 (14)	−0.012 (13)	0.029 (12)	−0.041 (13)
C313	0.143 (18)	0.012 (7)	0.068 (9)	−0.005 (9)	0.031 (11)	0.012 (6)
C302	0.23 (2)	0.009 (7)	0.039 (8)	0.010 (10)	0.055 (11)	0.001 (6)
C393	0.116 (14)	0.068 (14)	0.076 (13)	−0.001 (10)	0.046 (11)	0.026 (10)
C312	0.116 (16)	0.013 (7)	0.081 (9)	0.002 (8)	0.026 (11)	0.010 (7)
C333	0.057 (16)	0.14 (3)	0.10 (2)	−0.006 (17)	−0.004 (14)	0.04 (2)
C404	0.081 (19)	0.15 (3)	0.078 (18)	−0.03 (2)	−0.003 (15)	0.04 (2)
C377	0.17 (3)	0.047 (15)	0.087 (19)	−0.003 (16)	0.033 (19)	−0.047 (14)
C384	0.103 (18)	0.047 (12)	0.059 (13)	−0.008 (12)	0.026 (12)	−0.011 (10)
C3A	0.070 (17)	0.028 (13)	0.064 (16)	−0.003 (12)	0.040 (13)	−0.004 (12)
C2A	0.086 (19)	0.030 (14)	0.067 (17)	−0.010 (13)	0.033 (15)	−0.009 (13)
C5A	0.065 (16)	0.055 (16)	0.083 (18)	0.008 (13)	0.039 (14)	0.008 (15)
O3A	0.071 (14)	0.040 (12)	0.100 (17)	0.008 (10)	0.027 (12)	−0.013 (12)
C331	0.113 (12)	0.037 (10)	0.097 (15)	0.015 (9)	0.021 (12)	0.035 (10)
C347	0.21 (3)	0.022 (10)	0.044 (11)	0.018 (14)	0.047 (15)	−0.002 (8)
C374	0.14 (3)	0.042 (13)	0.080 (17)	0.030 (15)	0.032 (17)	−0.007 (12)
C392	0.141 (14)	0.063 (11)	0.033 (9)	−0.021 (11)	0.035 (10)	−0.004 (8)
C336	0.12 (3)	0.068 (18)	0.10 (2)	−0.002 (17)	−0.007 (18)	0.033 (16)
C369	0.10 (2)	0.052 (15)	0.13 (2)	0.008 (13)	−0.007 (17)	−0.059 (16)
C383	0.15 (3)	0.049 (13)	0.045 (12)	−0.004 (14)	0.030 (14)	−0.003 (10)
C373	0.098 (18)	0.035 (11)	0.066 (14)	0.005 (11)	0.027 (12)	−0.006 (10)
C322	0.088 (17)	0.043 (12)	0.096 (18)	−0.005 (11)	0.024 (14)	0.020 (12)
C8A	0.071 (16)	0.013 (11)	0.084 (18)	−0.001 (11)	−0.004 (14)	−0.005 (12)
C467	0.12 (2)	0.039 (15)	0.074 (19)	−0.002 (15)	0.034 (17)	−0.031 (13)
C387	0.19 (3)	0.034 (11)	0.050 (12)	0.005 (14)	0.043 (15)	0.007 (9)
C11A	0.073 (19)	0.051 (17)	0.09 (2)	−0.008 (15)	0.001 (17)	−0.036 (16)
C301	0.23 (2)	0.032 (7)	0.033 (8)	−0.010 (11)	0.045 (12)	0.002 (7)
C372	0.10 (2)	0.13 (3)	0.13 (3)	0.04 (2)	0.02 (2)	−0.05 (3)
C408	0.11 (2)	0.11 (3)	0.12 (3)	−0.03 (2)	0.014 (19)	0.08 (2)
C371	0.072 (17)	0.13 (3)	0.09 (2)	0.024 (17)	0.000 (14)	−0.051 (19)
C407	0.09 (2)	0.13 (3)	0.15 (3)	−0.009 (19)	−0.004 (19)	0.11 (3)
C466	0.11 (3)	0.07 (2)	0.10 (3)	−0.013 (19)	0.02 (2)	−0.06 (2)
C502	0.093 (16)	0.11 (3)	0.09 (2)	0.037 (14)	0.042 (14)	0.07 (2)
C391	0.142 (15)	0.046 (11)	0.079 (13)	−0.017 (10)	0.048 (11)	−0.010 (9)
C395	0.149 (17)	0.083 (16)	0.125 (19)	−0.017 (14)	0.034 (14)	0.057 (14)
C332	0.12 (3)	0.08 (2)	0.12 (3)	−0.02 (2)	0.01 (2)	0.00 (2)
C330	0.126 (12)	0.056 (12)	0.092 (15)	0.006 (11)	0.015 (12)	0.047 (11)
C394	0.127 (15)	0.074 (15)	0.118 (17)	0.006 (11)	0.051 (13)	0.055 (13)
C386	0.24 (4)	0.054 (16)	0.079 (19)	0.04 (2)	0.07 (2)	0.030 (14)
C1A	0.12 (2)	0.028 (13)	0.058 (17)	−0.008 (15)	0.039 (16)	−0.003 (12)
C405	0.11 (2)	0.09 (2)	0.086 (19)	−0.001 (17)	0.011 (16)	0.057 (17)
C503	0.093 (16)	0.11 (3)	0.09 (2)	0.037 (14)	0.042 (14)	0.07 (2)
C12A	0.052 (15)	0.040 (14)	0.087 (18)	0.004 (12)	0.005 (14)	−0.021 (14)
C9A	0.074 (19)	0.039 (16)	0.09 (2)	−0.014 (14)	−0.021 (17)	0.020 (15)
C14A	0.09 (3)	0.06 (2)	0.13 (3)	−0.01 (2)	0.03 (2)	0.06 (2)
C10A	0.08 (2)	0.033 (15)	0.11 (2)	−0.002 (14)	−0.011 (18)	−0.004 (16)
C13A	0.064 (19)	0.053 (18)	0.10 (2)	0.022 (16)	0.015 (17)	0.000 (18)
C6A	0.10 (2)	0.046 (16)	0.079 (19)	0.016 (15)	0.054 (16)	0.021 (15)
C15A	0.13 (4)	0.08 (3)	0.15 (4)	−0.01 (3)	0.09 (3)	−0.05 (3)
I404	0.365 (18)	0.035 (3)	0.038 (3)	−0.023 (6)	0.059 (6)	−0.011 (2)
Zn42	0.24 (2)	0.034 (7)	0.033 (6)	0.019 (8)	0.058 (8)	0.014 (5)
I403	0.214 (13)	0.123 (9)	0.066 (5)	0.065 (7)	0.045 (6)	−0.007 (5)
I414	0.30 (2)	0.034 (4)	0.075 (6)	−0.048 (10)	0.037 (10)	0.001 (4)
Zn47	0.19 (3)	0.081 (15)	0.046 (12)	−0.080 (16)	0.013 (12)	−0.013 (10)
I413	0.178 (19)	0.159 (17)	0.080 (9)	−0.077 (13)	0.025 (9)	−0.013 (10)
I401	0.203 (11)	0.109 (6)	0.041 (3)	0.074 (8)	0.080 (5)	0.048 (3)
Zn41	0.134 (5)	0.016 (2)	0.0471 (15)	0.026 (2)	0.045 (3)	0.0031 (14)
I402	0.249 (15)	0.030 (5)	0.213 (15)	−0.008 (8)	0.114 (12)	−0.036 (7)
I405	0.131 (8)	0.100 (7)	0.66 (3)	−0.042 (6)	−0.150 (14)	0.164 (13)
Zn43	0.143 (13)	0.022 (6)	0.29 (2)	0.020 (6)	−0.077 (13)	−0.050 (9)
I406	0.134 (7)	0.165 (10)	0.70 (3)	−0.004 (7)	0.063 (13)	−0.288 (15)
I416	0.35 (2)	0.061 (6)	0.36 (2)	0.078 (10)	0.276 (18)	0.096 (9)
Zn48	0.36 (3)	0.022 (7)	0.133 (16)	−0.016 (14)	0.190 (17)	−0.006 (9)
I415	0.50 (2)	0.067 (5)	0.065 (4)	−0.114 (9)	0.083 (7)	−0.023 (4)
I307	0.098 (4)	0.183 (10)	0.091 (6)	0.074 (5)	−0.011 (4)	−0.032 (6)
Zn34	0.146 (3)	0.029 (4)	0.026 (2)	0.030 (3)	0.0078 (19)	0.002 (3)
I308	0.288 (6)	0.010 (3)	0.041 (3)	−0.001 (4)	0.016 (3)	0.008 (2)
I312	0.137 (5)	0.053 (3)	0.092 (3)	0.007 (3)	0.058 (3)	0.013 (2)
Zn46	0.077 (6)	0.027 (4)	0.063 (4)	0.004 (3)	0.024 (3)	0.003 (2)
I311	0.060 (2)	0.036 (2)	0.107 (3)	−0.0011 (15)	0.0119 (19)	−0.0135 (16)
C403	0.093 (16)	0.11 (3)	0.09 (2)	0.037 (14)	0.042 (14)	0.07 (2)
C402	0.093 (16)	0.11 (3)	0.09 (2)	0.037 (14)	0.042 (14)	0.07 (2)
C367	0.12 (2)	0.039 (15)	0.074 (19)	−0.002 (15)	0.034 (17)	−0.031 (13)
C366	0.11 (3)	0.07 (2)	0.10 (3)	−0.013 (19)	0.02 (2)	−0.06 (2)

Geometric parameters (Å, º)

I317—Zn39	2.544 (4)	C327—C328	1.39 (3)
I304—Zn32	2.542 (8)	C327—C331	1.39 (3)
I309—Zn35	2.524 (5)	C362—C370	1.49 (3)
I318—Zn39	2.542 (4)	C364—H364	0.9500
I301—Zn31	2.491 (7)	C364—C365	1.38 (3)
I303—Zn32	2.533 (7)	C355—H355	0.9500
I411—Zn36	2.525 (14)	C329—H329	0.9500
I310—Zn35	2.534 (4)	C329—C328	1.39 (3)
I314—Zn37	2.549 (6)	C334—C326	1.51 (3)
I302—Zn31	2.548 (6)	C334—C335	1.31 (3)
I306—Zn33	2.560 (8)	C334—C333	1.35 (4)
I305—Zn33	2.498 (7)	C305—H305	0.9500
I408—Zn44	2.535 (13)	C320—H320	0.9500
I313—Zn37	2.530 (7)	C320—C319	1.40 (3)
I412—Zn36	2.555 (15)	C389—H389	0.9500
I407—Zn44	2.531 (13)	C389—C390	1.41 (3)
I315—Zn38	2.529 (10)	C348—H348	0.9500
I316—Zn38	2.525 (12)	C348—C349	1.39 (3)
Zn35—N318	2.105 (16)	C351—H351	0.9500
Zn35—N319	2.064 (15)	C351—C350	1.33 (3)
Zn32—N307	2.059 (18)	C353—H353	0.9500
Zn32—N306	2.09 (2)	C397—C399	1.49 (3)
Zn44—N323^i	1.97 (4)	C382—H382	0.9500
Zn44—N317	2.07 (2)	C382—C383	1.39 (3)
Zn37—N335^ii	2.02 (2)	C337—H337	0.9500
Zn37—N329	2.054 (19)	C401—H401	0.9500
Zn31—N301	2.083 (16)	C401—C400	1.41 (3)
Zn31—N311^iii	2.15 (2)	C406—C398	1.48 (4)
Zn39—N305^iv	2.082 (16)	C406—C407	1.42 (4)
Zn39—N336	2.06 (2)	C406—C405	1.40 (3)
Zn36—N324	2.04 (2)	C319—H319	0.9500
Zn36—N325	2.12 (2)	C375—C376	1.44 (3)
Zn33—N313	2.089 (17)	C375—C374	1.43 (3)
Zn33—N312	2.05 (2)	C311—H311	0.9500
Zn38—N330	2.11 (2)	C311—C310	1.39 (3)
Zn38—N331	2.08 (2)	C314—H314	0.9500
N310—C325	1.31 (3)	C323—H323	0.9500
N310—C326	1.28 (3)	C323—C322	1.40 (3)
N314—C342	1.32 (2)	C370—C369	1.39 (3)
N314—C344	1.38 (2)	C370—C371	1.37 (3)
N320—C360	1.31 (2)	C365—H365	0.9500
N320—C362	1.36 (2)	C396—C393	1.47 (3)
N309—C324	1.37 (2)	C340—H340	0.9500
N309—C325	1.32 (3)	C359—H359	0.9500
N326—C380	1.33 (2)	C359—C358	1.41 (3)
N326—C378	1.35 (3)	C400—H400	0.9500
N302—C306	1.33 (3)	C400—C399	1.37 (3)
N302—C308	1.39 (2)	C349—H349	0.9500
N315—C342	1.38 (2)	C350—H350	0.9500
N315—C343	1.35 (2)	O1A—H1A	0.8400
N316—C343	1.34 (2)	O1A—C13A	1.427 (18)
N316—C344	1.34 (2)	C310—H310	0.9500
N304—C307	1.41 (2)	C346—H346	0.9500
N304—C308	1.26 (2)	C346—C347	1.40 (3)
N305—C311	1.34 (3)	C318—H318	0.9500
N305—C312	1.32 (3)	C318—C317	1.39 (3)
N321—C360	1.32 (2)	C328—H328	0.9500
N321—C361	1.35 (2)	C317—H317	0.9500
N313—C341	1.31 (3)	C335—H335	0.9500
N313—C337	1.29 (3)	C335—C336	1.37 (4)
N313—Zn43	2.079 (19)	C399—C503	1.45 (4)
N307—C319	1.37 (3)	C399—C403	1.45 (3)
N307—C323	1.32 (3)	C7A—C4A	1.503 (17)
N307—Zn42	2.08 (2)	C7A—C8A	1.387 (18)
N318—C354	1.35 (2)	C7A—C12A	1.400 (17)
N318—C350	1.31 (3)	O2A—C8A	1.37 (4)
N319—C355	1.36 (3)	O2A—C14A	1.434 (19)
N319—C359	1.33 (3)	C4A—C3A	1.382 (18)
N323—C365	1.29 (3)	C4A—C5A	1.399 (18)
N323—C466	1.39 (4)	C376—H376	0.9500
N323—Zn34^v	2.14 (3)	C376—C377	1.41 (3)
N323—Zn54^v	2.31 (12)	C390—H390	0.9500
N323—C366	1.39 (4)	C385—H385	0.9500
N308—C324	1.34 (3)	C385—C384	1.33 (3)
N308—C326	1.37 (3)	C368—H368	0.9500
C360—C357	1.49 (2)	C368—C369	1.37 (4)
N327—C378	1.37 (3)	C358—H358	0.9500
N327—C379	1.35 (2)	C313—H313	0.9500
N328—C380	1.29 (2)	C313—C312	1.40 (3)
N328—C379	1.36 (2)	C302—H302	0.9500
N303—C307	1.32 (2)	C302—C301	1.39 (3)
N303—C306	1.32 (3)	C393—C392	1.39 (4)
N330—C390	1.35 (3)	C393—C394	1.39 (4)
N330—C386	1.32 (3)	C312—H312	0.9500
N330—Zn48	2.09 (2)	C333—H333	0.9500
N330—Zn58	2.20 (10)	C333—C332	1.44 (4)
N324—C368	1.34 (3)	C404—H404	0.9500
N324—C372	1.29 (4)	C404—C405	1.36 (4)
N324—Zn46	2.06 (2)	C377—H377	0.9500
N306—C314	1.35 (3)	C384—H384	0.9500
N306—C318	1.35 (3)	C3A—H3A	0.9500
N306—Zn42	2.01 (2)	C3A—C2A	1.394 (18)
N333—C397	1.33 (3)	C2A—H2A	0.9500
N333—C396	1.36 (3)	C2A—C1A	1.392 (18)
N335—C401	1.31 (3)	C5A—C13A	1.509 (19)
N335—C502	1.34 (4)	C5A—C6A	1.397 (19)
N335—Zn47^iii	2.19 (4)	O3A—C12A	1.36 (3)
N335—C402	1.34 (4)	O3A—C15A	1.436 (19)
N301—C305	1.33 (2)	C331—H331	0.9500
N301—C301	1.28 (3)	C331—C330	1.44 (3)
N301—Zn41	2.10 (2)	C347—H347	0.9500
N325—C377	1.31 (3)	C374—H374	0.9500
N325—C373	1.29 (3)	C374—C373	1.42 (3)
N325—Zn46	2.11 (2)	C392—H392	0.9500
N312—C336	1.32 (4)	C392—C391	1.39 (3)
N312—C332	1.24 (4)	C336—H336	0.9500
N312—Zn43	2.09 (3)	C369—H369	0.9500
C321—C324	1.46 (3)	C383—H383	0.9500
C321—C320	1.30 (3)	C373—H373	0.9500
C321—C322	1.41 (3)	C322—H322	0.9500
C345—C343	1.47 (2)	C8A—C9A	1.392 (17)
C345—C349	1.37 (3)	C467—H467	0.9500
C345—C346	1.34 (3)	C467—C466	1.38 (4)
N322—C361	1.31 (3)	C387—H387	0.9500
N322—C362	1.33 (2)	C387—C386	1.39 (4)
N332—C398	1.37 (3)	C11A—H11A	0.9500
N332—C396	1.30 (3)	C11A—C12A	1.391 (18)
C363—C361	1.49 (2)	C11A—C10A	1.384 (18)
C363—C364	1.30 (3)	C301—H301	0.9500
C363—C467	1.43 (3)	C372—H372	0.9500
C363—C367	1.43 (3)	C372—C371	1.41 (4)
C342—C339	1.49 (2)	C408—H408	0.9500
C381—C379	1.47 (3)	C408—C407	1.39 (4)
C381—C382	1.38 (3)	C371—H371	0.9500
C381—C385	1.42 (3)	C407—H407	0.9500
C307—C309	1.46 (2)	C466—H466	0.9500
C309—C310	1.39 (3)	C502—H502	0.9500
C309—C313	1.37 (3)	C502—C503	1.37 (4)
N311—C329	1.33 (3)	C391—H391	0.9500
N311—C330	1.29 (3)	C395—H395	0.9500
N311—Zn41^ii	1.82 (2)	C395—C394	1.42 (4)
N317—C348	1.30 (3)	C332—H332	0.9500
N317—C347	1.35 (3)	C330—H330	0.9500
N317—Zn34	2.063 (19)	C330—Zn41^ii	2.59 (3)
N317—Zn54	1.96 (11)	C394—H394	0.9500
N329—C384	1.34 (3)	C386—H386	0.9500
N329—C383	1.35 (3)	C1A—H1AA	0.9500
N329—Zn47	2.06 (2)	C1A—C6A	1.387 (18)
N336—C404	1.37 (3)	C405—H405	0.9500
N336—C408	1.28 (3)	C503—H503	0.9500
C352—C344	1.44 (2)	C9A—H9A	0.9500
C352—C351	1.41 (2)	C9A—C10A	1.388 (18)
C352—C353	1.32 (3)	C14A—H14A	0.9800
C325—C327	1.46 (3)	C14A—H14B	0.9800
C356—H356	0.9500	C14A—H14C	0.9800
C356—C357	1.37 (3)	C10A—H10A	0.9500
C356—C355	1.36 (3)	C13A—H13A	0.9900
C338—H338	0.9500	C13A—H13B	0.9900
C338—C339	1.38 (3)	C6A—H6A	0.9500
C338—C337	1.38 (3)	C15A—H15A	0.9800
C303—C304	1.41 (3)	C15A—H15B	0.9800
C303—C306	1.43 (2)	C15A—H15C	0.9800
C303—C302	1.38 (2)	I404—Zn42	2.511 (12)
C304—H304	0.9500	Zn42—I403	2.532 (13)
C304—C305	1.37 (3)	I414—Zn47	2.535 (16)
C357—C358	1.37 (3)	Zn47—I413	2.522 (16)
C380—C388	1.49 (2)	I401—Zn41	2.519 (14)
C354—H354	0.9500	Zn41—I402	2.577 (14)
C354—C353	1.35 (3)	I405—Zn43	2.494 (15)
C316—C308	1.48 (3)	Zn43—I406	2.538 (15)
C316—C315	1.45 (3)	I416—Zn48	2.523 (15)
C316—C317	1.36 (3)	Zn48—I415	2.542 (15)
N334—C397	1.29 (3)	I307—Zn34	2.524 (10)
N334—C398	1.31 (3)	Zn34—I308	2.527 (10)
C378—C375	1.45 (3)	I312—Zn46	2.547 (7)
C388—C389	1.34 (3)	Zn46—I311	2.542 (8)
C388—C387	1.42 (3)	I507—Zn54	2.46 (6)
N331—C391	1.34 (4)	I508—Zn54	2.46 (6)
N331—C395	1.32 (4)	Zn58—I515	2.54 (5)
N331—Zn48	2.09 (2)	Zn58—I516	2.54 (5)
N331—Zn58	2.28 (10)	C403—H403	0.9500
C315—H315	0.9500	C403—C402	1.37 (4)
C315—C314	1.30 (3)	C402—H402	0.9500
C339—C340	1.35 (3)	C367—H367	0.9500
C341—H341	0.9500	C367—C366	1.39 (4)
C341—C340	1.38 (2)	C366—H366	0.9500
I309—Zn35—I310	125.82 (13)	N307—C319—H319	119.4
N318—Zn35—I309	104.2 (6)	C320—C319—H319	119.4
N318—Zn35—I310	107.9 (6)	N332—C398—C406	117 (2)
N319—Zn35—I309	109.4 (6)	N334—C398—N332	124 (2)
N319—Zn35—I310	106.9 (5)	N334—C398—C406	119 (2)
N319—Zn35—N318	99.5 (6)	C376—C375—C378	119 (2)
I303—Zn32—I304	124.2 (3)	C374—C375—C378	124 (2)
N307—Zn32—I304	106.4 (6)	C374—C375—C376	116 (2)
N307—Zn32—I303	107.0 (6)	N305—C311—H311	120.8
N307—Zn32—N306	101.8 (7)	N305—C311—C310	118 (2)
N306—Zn32—I304	108.0 (7)	C310—C311—H311	120.8
N306—Zn32—I303	107.3 (7)	N306—C314—H314	118.5
I407—Zn44—I408	125.7 (12)	C315—C314—N306	123 (2)
N323^i—Zn44—I408	102.0 (10)	C315—C314—H314	118.5
N323^i—Zn44—I407	109.5 (11)	N307—C323—H323	118.0
N323^i—Zn44—N317	107.4 (12)	N307—C323—C322	124 (2)
N317—Zn44—I408	105.1 (10)	C322—C323—H323	118.0
N317—Zn44—I407	105.9 (10)	N310—C326—N308	126 (2)
I313—Zn37—I314	124.3 (5)	N310—C326—C334	119 (2)
N335^ii—Zn37—I314	104.7 (7)	N308—C326—C334	115.0 (19)
N335^ii—Zn37—I313	108.3 (7)	C369—C370—C362	120.1 (19)
N335^ii—Zn37—N329	104.0 (9)	C371—C370—C362	120 (2)
N329—Zn37—I314	106.3 (6)	C371—C370—C369	120 (2)
N329—Zn37—I313	107.3 (7)	N323—C365—C364	122 (3)
I301—Zn31—I302	128.4 (3)	N323—C365—H365	118.8
N301—Zn31—I301	105.9 (7)	C364—C365—H365	118.8
N301—Zn31—I302	109.1 (7)	N333—C396—C393	117 (2)
N301—Zn31—N311^iii	94.6 (7)	N332—C396—N333	126 (2)
N311^iii—Zn31—I301	110.5 (6)	N332—C396—C393	117 (2)
N311^iii—Zn31—I302	103.2 (6)	C339—C340—C341	117 (2)
I318—Zn39—I317	121.22 (14)	C339—C340—H340	121.3
N305^iv—Zn39—I317	111.2 (6)	C341—C340—H340	121.3
N305^iv—Zn39—I318	105.9 (6)	N319—C359—H359	119.1
N336—Zn39—I317	106.8 (6)	N319—C359—C358	122 (2)
N336—Zn39—I318	108.2 (6)	C358—C359—H359	119.1
N336—Zn39—N305^iv	101.8 (8)	C401—C400—H400	119.7
I411—Zn36—I412	123.7 (7)	C399—C400—C401	121 (2)
N324—Zn36—I411	108.7 (9)	C399—C400—H400	119.7
N324—Zn36—I412	105.0 (9)	C345—C349—C348	120 (2)
N324—Zn36—N325	102.2 (9)	C345—C349—H349	120.2
N325—Zn36—I411	111.3 (9)	C348—C349—H349	120.2
N325—Zn36—I412	103.9 (8)	N318—C350—C351	122.2 (19)
I305—Zn33—I306	121.5 (3)	N318—C350—H350	118.9
N313—Zn33—I306	105.9 (6)	C351—C350—H350	118.9
N313—Zn33—I305	112.0 (6)	C13A—O1A—H1A	109.5
N312—Zn33—I306	103.8 (7)	C309—C310—C311	123 (2)
N312—Zn33—I305	109.5 (7)	C309—C310—H310	118.3
N312—Zn33—N313	102.3 (8)	C311—C310—H310	118.3
I316—Zn38—I315	127.1 (5)	C345—C346—H346	119.6
N330—Zn38—I315	105.2 (8)	C345—C346—C347	121 (2)
N330—Zn38—I316	107.8 (7)	C347—C346—H346	119.6
N331—Zn38—I315	110.7 (9)	N306—C318—H318	119.3
N331—Zn38—I316	104.5 (8)	N306—C318—C317	121.3 (19)
N331—Zn38—N330	97.7 (8)	C317—C318—H318	119.3
C326—N310—C325	114.6 (19)	C327—C328—H328	121.1
C342—N314—C344	115.7 (13)	C329—C328—C327	118 (2)
C360—N320—C362	114.4 (15)	C329—C328—H328	121.1
C325—N309—C324	114.2 (19)	C316—C317—C318	121 (2)
C380—N326—C378	115.0 (17)	C316—C317—H317	119.3
C306—N302—C308	116.0 (16)	C318—C317—H317	119.3
C343—N315—C342	116.1 (14)	C334—C335—H335	119.1
C343—N316—C344	116.0 (15)	C334—C335—C336	122 (3)
C308—N304—C307	115.0 (16)	C336—C335—H335	119.1
C311—N305—Zn39^vi	116.7 (15)	C400—C399—C397	123 (2)
C312—N305—Zn39^vi	123.8 (14)	C400—C399—C503	112 (4)
C312—N305—C311	119.4 (18)	C400—C399—C403	118 (2)
C360—N321—C361	112.7 (18)	C503—C399—C397	120 (3)
C341—N313—Zn33	125.1 (14)	C403—C399—C397	118 (2)
C341—N313—Zn43	112.4 (15)	C8A—C7A—C4A	120 (2)
C337—N313—Zn33	118.6 (15)	C8A—C7A—C12A	118.7 (17)
C337—N313—C341	116.3 (18)	C12A—C7A—C4A	121 (2)
C337—N313—Zn43	131.2 (16)	C8A—O2A—C14A	117 (3)
C319—N307—Zn32	123.7 (16)	C3A—C4A—C7A	120 (2)
C319—N307—Zn42	118.4 (17)	C3A—C4A—C5A	120.8 (19)
C323—N307—Zn32	119.1 (13)	C5A—C4A—C7A	119 (2)
C323—N307—C319	117.2 (19)	C375—C376—H376	120.8
C323—N307—Zn42	124.3 (14)	C377—C376—C375	118 (2)
C354—N318—Zn35	120.5 (13)	C377—C376—H376	120.8
C350—N318—Zn35	120.6 (13)	N330—C390—C389	117 (2)
C350—N318—C354	118.7 (17)	N330—C390—H390	121.5
C355—N319—Zn35	122.5 (16)	C389—C390—H390	121.5
C359—N319—Zn35	118.2 (13)	C381—C385—H385	119.3
C359—N319—C355	119.3 (17)	C384—C385—C381	121 (2)
Zn44^v—N323—Zn54^v	21.3 (11)	C384—C385—H385	119.3
C365—N323—Zn44^v	123 (2)	N324—C368—H368	117.8
C365—N323—C466	105 (6)	N324—C368—C369	124 (3)
C365—N323—Zn34^v	124.7 (19)	C369—C368—H368	117.8
C365—N323—Zn54^v	144 (2)	C357—C358—C359	119 (2)
C365—N323—C366	118 (2)	C357—C358—H358	120.7
C466—N323—Zn44^v	121 (2)	C359—C358—H358	120.7
C466—N323—Zn34^v	118 (2)	C309—C313—H313	120.7
C466—N323—Zn54^v	103 (3)	C309—C313—C312	119 (2)
Zn34^v—N323—Zn54^v	19.1 (11)	C312—C313—H313	120.7
C366—N323—Zn54^v	97.7 (19)	C303—C302—H302	120.8
C324—N308—C326	114.9 (17)	C303—C302—C301	118.4 (18)
N320—C360—N321	126.9 (15)	C301—C302—H302	120.8
N320—C360—C357	116.8 (15)	C392—C393—C396	123 (2)
N321—C360—C357	116.2 (18)	C392—C393—C394	116 (2)
C379—N327—C378	112.7 (17)	C394—C393—C396	121 (3)
C380—N328—C379	116.8 (17)	N305—C312—C313	124 (2)
C307—N303—C306	118.8 (18)	N305—C312—H312	118.1
C390—N330—Zn38	121.5 (15)	C313—C312—H312	118.1
C390—N330—Zn48	117.7 (15)	C334—C333—H333	120.8
C390—N330—Zn58	105 (3)	C334—C333—C332	118 (3)
C386—N330—Zn38	116.7 (17)	C332—C333—H333	120.8
C386—N330—C390	121 (2)	N336—C404—H404	118.7
C386—N330—Zn48	121.2 (17)	C405—C404—N336	123 (3)
C386—N330—Zn58	128 (3)	C405—C404—H404	118.7
C368—N324—Zn36	119.4 (18)	N325—C377—C376	121 (3)
C368—N324—Zn46	125.8 (18)	N325—C377—H377	119.3
C372—N324—Zn36	125 (2)	C376—C377—H377	119.3
C372—N324—C368	116 (2)	N329—C384—H384	118.8
C372—N324—Zn46	118 (2)	C385—C384—N329	122 (2)
C314—N306—Zn32	121.8 (15)	C385—C384—H384	118.8
C314—N306—Zn42	125.6 (15)	C4A—C3A—H3A	119.5
C318—N306—Zn32	120.1 (15)	C4A—C3A—C2A	121 (2)
C318—N306—C314	117.9 (19)	C2A—C3A—H3A	119.5
C318—N306—Zn42	115.8 (15)	C3A—C2A—H2A	120.6
C397—N333—C396	112 (2)	C1A—C2A—C3A	119 (2)
Zn37^iii—N335—Zn47^iii	2.2 (7)	C1A—C2A—H2A	120.6
C401—N335—Zn37^iii	123.0 (18)	C4A—C5A—C13A	121 (2)
C401—N335—C502	111 (5)	C6A—C5A—C4A	118 (2)
C401—N335—Zn47^iii	120.8 (19)	C6A—C5A—C13A	121 (2)
C401—N335—C402	122 (2)	C12A—O3A—C15A	117 (3)
C502—N335—Zn37^iii	116 (2)	C327—C331—H331	119.7
C502—N335—Zn47^iii	117 (2)	C327—C331—C330	121 (3)
C305—N301—Zn31	122.7 (14)	C330—C331—H331	119.7
C305—N301—Zn41	128.2 (14)	N317—C347—C346	121 (2)
C301—N301—Zn31	119.9 (15)	N317—C347—H347	119.4
C301—N301—C305	116.1 (17)	C346—C347—H347	119.4
C301—N301—Zn41	115.7 (15)	C375—C374—H374	120.5
C377—N325—Zn36	121 (2)	C373—C374—C375	119 (2)
C377—N325—Zn46	113 (2)	C373—C374—H374	120.5
C373—N325—Zn36	115.8 (16)	C393—C392—H392	117.8
C373—N325—C377	123 (2)	C393—C392—C391	124 (3)
C373—N325—Zn46	123.1 (15)	C391—C392—H392	117.8
C336—N312—Zn33	121.3 (19)	N312—C336—C335	123 (3)
C336—N312—Zn43	132 (2)	N312—C336—H336	118.3
C332—N312—Zn33	123 (2)	C335—C336—H336	118.3
C332—N312—C336	116 (3)	C370—C369—H369	121.1
C332—N312—Zn43	112 (2)	C368—C369—C370	118 (2)
C320—C321—C324	121.8 (17)	C368—C369—H369	121.1
C320—C321—C322	121 (2)	N329—C383—C382	124 (2)
C322—C321—C324	117 (2)	N329—C383—H383	117.9
C349—C345—C343	119.0 (18)	C382—C383—H383	117.9
C346—C345—C343	123.5 (18)	N325—C373—C374	121 (2)
C346—C345—C349	117.6 (19)	N325—C373—H373	119.4
C361—N322—C362	114.1 (17)	C374—C373—H373	119.4
C396—N332—C398	114 (2)	C321—C322—H322	121.9
C364—C363—C361	124.6 (18)	C323—C322—C321	116 (2)
C364—C363—C467	104 (5)	C323—C322—H322	121.9
C364—C363—C367	118 (2)	C7A—C8A—C9A	120.5 (19)
C467—C363—C361	119 (3)	O2A—C8A—C7A	115.9 (19)
C367—C363—C361	117 (2)	O2A—C8A—C9A	124 (2)
N309—C324—C321	117.7 (19)	C363—C467—H467	120.6
N308—C324—N309	122.4 (17)	C466—C467—C363	119 (4)
N308—C324—C321	119.9 (16)	C466—C467—H467	120.6
N314—C342—N315	123.7 (16)	C388—C387—H387	123.0
N314—C342—C339	118.3 (14)	C386—C387—C388	114 (2)
N315—C342—C339	117.7 (15)	C386—C387—H387	123.0
C382—C381—C379	122.0 (19)	C12A—C11A—H11A	119.6
C382—C381—C385	117 (2)	C10A—C11A—H11A	119.6
C385—C381—C379	120.9 (18)	C10A—C11A—C12A	121 (2)
N304—C307—C309	116.9 (16)	N301—C301—C302	125 (2)
N303—C307—N304	122.3 (17)	N301—C301—H301	117.3
N303—C307—C309	120.5 (18)	C302—C301—H301	117.3
C310—C309—C307	117.7 (17)	N324—C372—H372	117.0
C313—C309—C307	126.1 (19)	N324—C372—C371	126 (3)
C313—C309—C310	116.1 (18)	C371—C372—H372	117.0
N321—C361—C363	115.1 (19)	N336—C408—H408	118.4
N322—C361—N321	127.1 (17)	N336—C408—C407	123 (2)
N322—C361—C363	117.8 (18)	C407—C408—H408	118.4
C329—N311—Zn31^ii	122.8 (19)	C370—C371—C372	116 (3)
C329—N311—Zn41^ii	131 (2)	C370—C371—H371	121.9
C330—N311—Zn31^ii	120.3 (15)	C372—C371—H371	121.9
C330—N311—C329	117 (2)	C406—C407—H407	120.1
C330—N311—Zn41^ii	111.6 (17)	C408—C407—C406	120 (2)
C348—N317—Zn44	127.9 (16)	C408—C407—H407	120.1
C348—N317—C347	117.5 (18)	N323—C466—H466	120.3
C348—N317—Zn34	123.1 (15)	C467—C466—N323	119 (4)
C348—N317—Zn54	105 (3)	C467—C466—H466	120.3
C347—N317—Zn44	114.6 (16)	N335—C502—H502	119.3
C347—N317—Zn34	119.5 (15)	N335—C502—C503	121 (4)
C347—N317—Zn54	136 (3)	C503—C502—H502	119.3
C384—N329—Zn37	123.7 (16)	N331—C391—C392	118 (3)
C384—N329—C383	117 (2)	N331—C391—H391	121.1
C384—N329—Zn47	122.1 (17)	C392—C391—H391	121.1
C383—N329—Zn37	119.0 (15)	N331—C395—H395	118.2
C383—N329—Zn47	120.0 (16)	N331—C395—C394	124 (3)
C404—N336—Zn39	121.4 (18)	C394—C395—H395	118.2
C408—N336—Zn39	119 (2)	N312—C332—C333	124 (3)
C408—N336—C404	118 (3)	N312—C332—H332	117.9
C351—C352—C344	121.3 (17)	C333—C332—H332	117.9
C353—C352—C344	123.6 (17)	N311—C330—C331	122 (2)
C353—C352—C351	115.0 (16)	N311—C330—H330	119.0
N310—C325—N309	127.7 (19)	N311—C330—Zn41^ii	40.8 (11)
N310—C325—C327	115.9 (18)	C331—C330—H330	119.0
N309—C325—C327	116 (2)	C331—C330—Zn41^ii	163 (2)
C357—C356—H356	118.6	Zn41^ii—C330—H330	78.3
C355—C356—H356	118.6	C393—C394—C395	117 (3)
C355—C356—C357	123 (2)	C393—C394—H394	121.3
C339—C338—H338	122.2	C395—C394—H394	121.3
C337—C338—H338	122.2	N330—C386—C387	125 (2)
C337—C338—C339	116 (2)	N330—C386—H386	117.5
C304—C303—C306	121.0 (17)	C387—C386—H386	117.5
C302—C303—C304	117.3 (17)	C2A—C1A—H1AA	119.9
C302—C303—C306	121.7 (17)	C6A—C1A—C2A	120 (2)
C303—C304—H304	121.3	C6A—C1A—H1AA	119.9
C305—C304—C303	117.4 (17)	C406—C405—H405	120.3
C305—C304—H304	121.3	C404—C405—C406	119 (3)
C356—C357—C360	121.5 (17)	C404—C405—H405	120.3
C358—C357—C360	121 (2)	C399—C503—H503	121.6
C358—C357—C356	118 (2)	C502—C503—C399	117 (4)
N326—C380—C388	115.7 (17)	C502—C503—H503	121.6
N328—C380—N326	125.2 (18)	O3A—C12A—C7A	116 (2)
N328—C380—C388	119.0 (17)	O3A—C12A—C11A	124 (2)
N318—C354—H354	120.2	C11A—C12A—C7A	120 (2)
N318—C354—C353	119.6 (19)	C8A—C9A—H9A	119.6
C353—C354—H354	120.2	C10A—C9A—C8A	121 (2)
C315—C316—C308	123.4 (16)	C10A—C9A—H9A	119.6
C317—C316—C308	122.1 (18)	O2A—C14A—H14A	109.5
C317—C316—C315	114.5 (19)	O2A—C14A—H14B	109.5
C397—N334—C398	116 (2)	O2A—C14A—H14C	109.5
N326—C378—N327	125.2 (18)	H14A—C14A—H14B	109.5
N326—C378—C375	118 (2)	H14A—C14A—H14C	109.5
N327—C378—C375	116.8 (19)	H14B—C14A—H14C	109.5
N302—C306—C303	121.8 (18)	C11A—C10A—C9A	119 (2)
N303—C306—N302	122.3 (18)	C11A—C10A—H10A	120.6
N303—C306—C303	115.9 (18)	C9A—C10A—H10A	120.6
N302—C308—C316	115.4 (15)	O1A—C13A—C5A	113 (2)
N304—C308—N302	125.6 (18)	O1A—C13A—H13A	108.9
N304—C308—C316	119.1 (17)	O1A—C13A—H13B	108.9
C389—C388—C380	122 (2)	C5A—C13A—H13A	108.9
C389—C388—C387	121 (2)	C5A—C13A—H13B	108.9
C387—C388—C380	116.5 (17)	H13A—C13A—H13B	107.7
N315—C343—C345	116.5 (15)	C5A—C6A—H6A	119.3
N316—C343—N315	124.4 (15)	C1A—C6A—C5A	121 (2)
N316—C343—C345	119.1 (15)	C1A—C6A—H6A	119.3
C391—N331—Zn38	116 (2)	O3A—C15A—H15A	109.5
C391—N331—Zn48	124 (2)	O3A—C15A—H15B	109.5
C391—N331—Zn58	151 (3)	O3A—C15A—H15C	109.5
C395—N331—Zn38	123 (2)	H15A—C15A—H15B	109.5
C395—N331—C391	120 (2)	H15A—C15A—H15C	109.5
C395—N331—Zn48	115 (2)	H15B—C15A—H15C	109.5
C395—N331—Zn58	87 (2)	N307—Zn42—I404	105.7 (8)
C316—C315—H315	119.1	N307—Zn42—I403	109.0 (7)
C314—C315—C316	122 (2)	N306—Zn42—N307	103.7 (9)
C314—C315—H315	119.1	N306—Zn42—I404	101.1 (8)
C338—C339—C342	119.7 (16)	N306—Zn42—I403	110.6 (9)
C340—C339—C342	120.2 (17)	I404—Zn42—I403	124.8 (7)
C340—C339—C338	120.1 (17)	N335^ii—Zn47—I414	109.0 (11)
N313—C341—H341	117.9	N335^ii—Zn47—I413	107.9 (11)
N313—C341—C340	124 (2)	N329—Zn47—N335^ii	98.1 (12)
C340—C341—H341	117.9	N329—Zn47—I414	107.4 (10)
N314—C344—C352	119.3 (14)	N329—Zn47—I413	107.3 (11)
N316—C344—N314	124.0 (15)	I413—Zn47—I414	124.0 (11)
N316—C344—C352	116.5 (16)	N301—Zn41—C330^iii	101.7 (11)
C328—C327—C325	121.9 (19)	N301—Zn41—I401	100.9 (9)
C328—C327—C331	116 (2)	N301—Zn41—I402	107.4 (10)
C331—C327—C325	122 (2)	N311^iii—Zn41—N301	104.7 (10)
N327—C379—N328	124.6 (18)	N311^iii—Zn41—C330^iii	27.6 (9)
N327—C379—C381	117.9 (17)	N311^iii—Zn41—I401	102.9 (11)
N328—C379—C381	117.5 (17)	N311^iii—Zn41—I402	110.5 (10)
N320—C362—C370	118.8 (17)	I401—Zn41—I402	128.1 (8)
N322—C362—N320	124 (2)	N313—Zn43—N312	101.3 (9)
N322—C362—C370	116.8 (17)	N313—Zn43—I405	104.2 (8)
C363—C364—H364	119.0	N313—Zn43—I406	110.3 (9)
C363—C364—C365	122 (2)	N312—Zn43—I405	101.5 (9)
C365—C364—H364	119.0	N312—Zn43—I406	118.9 (10)
N319—C355—C356	119 (2)	I405—Zn43—I406	118.4 (7)
N319—C355—H355	120.3	N330—Zn48—N331	98.2 (8)
C356—C355—H355	120.3	N330—Zn48—I416	109.3 (9)
N311—C329—H329	116.7	N330—Zn48—I415	102.4 (8)
N311—C329—C328	127 (3)	N331—Zn48—I416	106.1 (10)
C328—C329—H329	116.7	N331—Zn48—I415	108.7 (10)
C335—C334—C326	123 (2)	I416—Zn48—I415	128.2 (6)
C335—C334—C333	116 (3)	N323^i—Zn34—I307	106.0 (8)
C333—C334—C326	120 (2)	N323^i—Zn34—I308	109.4 (8)
N301—C305—C304	125.5 (18)	N317—Zn34—N323^i	101.4 (9)
N301—C305—H305	117.3	N317—Zn34—I307	105.5 (8)
C304—C305—H305	117.3	N317—Zn34—I308	108.2 (8)
C321—C320—H320	120.0	I307—Zn34—I308	124.0 (8)
C321—C320—C319	120 (2)	N324—Zn46—N325	101.9 (8)
C319—C320—H320	120.0	N324—Zn46—I312	110.8 (7)
C388—C389—H389	119.0	N324—Zn46—I311	103.5 (7)
C388—C389—C390	122 (2)	N325—Zn46—I312	106.5 (7)
C390—C389—H389	119.0	N325—Zn46—I311	110.5 (6)
N317—C348—H348	118.3	I311—Zn46—I312	122.0 (3)
N317—C348—C349	123 (2)	N323^i—Zn54—I507	95 (3)
C349—C348—H348	118.3	N323^i—Zn54—I508	105 (4)
C352—C351—H351	119.6	N317—Zn54—N323^i	99 (5)
C350—C351—C352	120.8 (18)	N317—Zn54—I507	96 (3)
C350—C351—H351	119.6	N317—Zn54—I508	128 (4)
C352—C353—C354	123.5 (18)	I507—Zn54—I508	127 (5)
C352—C353—H353	118.2	N330—Zn58—N331	90 (3)
C354—C353—H353	118.2	N330—Zn58—I515	96 (2)
N333—C397—C399	114 (2)	N330—Zn58—I516	117 (3)
N334—C397—N333	127 (2)	N331—Zn58—I515	88.0 (19)
N334—C397—C399	118.3 (19)	N331—Zn58—I516	133 (4)
C381—C382—H382	121.2	I515—Zn58—I516	123 (4)
C381—C382—C383	118 (2)	C399—C403—H403	121.4
C383—C382—H382	121.2	C402—C403—C399	117 (3)
N313—C337—C338	126 (2)	C402—C403—H403	121.4
N313—C337—H337	117.1	N335—C402—C403	122 (3)
C338—C337—H337	117.1	N335—C402—H402	118.8
N335—C401—H401	120.1	C403—C402—H402	118.8
N335—C401—C400	120 (2)	C363—C367—H367	121.0
C400—C401—H401	120.1	C366—C367—C363	118 (3)
C407—C406—C398	122 (2)	C366—C367—H367	121.0
C405—C406—C398	121 (2)	N323—C366—H366	119.8
C405—C406—C407	116 (3)	C367—C366—N323	120 (3)
N307—C319—C320	121 (2)	C367—C366—H366	119.8
Zn35—N318—C354—C353	175 (2)	C355—C356—C357—C358	−4 (3)
Zn35—N318—C350—C351	−178 (2)	C329—N311—C330—C331	−3 (4)
Zn35—N319—C355—C356	−172.9 (14)	C329—N311—C330—Zn41^ii	173 (3)
Zn35—N319—C359—C358	174.9 (19)	C334—C335—C336—N312	−2 (6)
Zn32—N307—C319—C320	173.3 (17)	C334—C333—C332—N312	1 (6)
Zn32—N307—C323—C322	−175.2 (19)	C305—N301—C301—C302	−1 (5)
Zn32—N306—C314—C315	−174 (2)	C320—C321—C324—N309	−2 (3)
Zn32—N306—C318—C317	174 (2)	C320—C321—C324—N308	177 (2)
Zn44^v—N323—C365—C364	−179 (2)	C320—C321—C322—C323	−10 (4)
Zn44^v—N323—C366—C367	178 (3)	C389—C388—C387—C386	0 (4)
Zn44—N317—C348—C349	−176 (2)	C348—N317—C347—C346	−4 (4)
Zn44—N317—C347—C346	178 (2)	C351—C352—C344—N314	4 (3)
Zn37^iii—N335—C401—C400	179.8 (17)	C351—C352—C344—N316	−179 (2)
Zn37^iii—N335—C502—C503	−169 (9)	C351—C352—C353—C354	−3 (4)
Zn37—N329—C384—C385	177 (2)	C353—C352—C344—N314	−176 (2)
Zn37—N329—C383—C382	−178 (2)	C353—C352—C344—N316	1 (3)
Zn31—N301—C305—C304	166 (2)	C353—C352—C351—C350	0 (4)
Zn31—N301—C301—C302	−168 (3)	C397—N333—C396—N332	8 (3)
Zn31^ii—N311—C329—C328	171.7 (19)	C397—N333—C396—C393	−172 (2)
Zn31^ii—N311—C330—C331	−176 (2)	C397—N334—C398—N332	−1 (4)
Zn39^vi—N305—C311—C310	−178 (2)	C397—N334—C398—C406	−176 (2)
Zn39^vi—N305—C312—C313	−179 (2)	C397—C399—C503—C502	−175 (8)
Zn39—N336—C404—C405	−170 (3)	C397—C399—C403—C402	178 (4)
Zn39—N336—C408—C407	176 (3)	C382—C381—C379—N327	−2 (3)
Zn36—N324—C368—C369	−180 (3)	C382—C381—C379—N328	180 (2)
Zn36—N324—C372—C371	179 (3)	C382—C381—C385—C384	0 (4)
Zn36—N325—C377—C376	180 (2)	C337—N313—C341—C340	0 (4)
Zn36—N325—C373—C374	176 (2)	C337—C338—C339—C342	−173 (2)
Zn33—N313—C341—C340	−179.0 (19)	C337—C338—C339—C340	7 (4)
Zn33—N313—C337—C338	−174 (2)	C401—N335—C502—C503	45 (13)
Zn33—N312—C336—C335	180 (3)	C401—N335—C402—C403	−6 (6)
Zn33—N312—C332—C333	−179 (3)	C401—C400—C399—C397	−178 (2)
Zn38—N330—C390—C389	−167.2 (19)	C401—C400—C399—C503	26 (7)
Zn38—N330—C386—C387	170 (3)	C401—C400—C399—C403	−8 (4)
Zn38—N331—C391—C392	172.6 (17)	C319—N307—C323—C322	3 (3)
Zn38—N331—C395—C394	−174 (3)	C398—N332—C396—N333	−4 (3)
N310—C325—C327—C328	−175.3 (19)	C398—N332—C396—C393	176 (2)
N310—C325—C327—C331	1 (3)	C398—N334—C397—N333	7 (4)
N314—C342—C339—C338	166 (2)	C398—N334—C397—C399	−177 (2)
N314—C342—C339—C340	−13 (3)	C398—C406—C407—C408	−175 (3)
N320—C360—C357—C356	167.3 (17)	C398—C406—C405—C404	−179 (3)
N320—C360—C357—C358	−11 (3)	C375—C376—C377—N325	4 (5)
N320—C362—C370—C369	16 (3)	C375—C374—C373—N325	6 (4)
N320—C362—C370—C371	−160 (3)	C311—N305—C312—C313	−1 (4)
N309—C325—C327—C328	3 (3)	C314—N306—C318—C317	0 (4)
N309—C325—C327—C331	180 (2)	C323—N307—C319—C320	−5 (3)
N326—C380—C388—C389	−177 (2)	C326—N310—C325—N309	−2 (3)
N326—C380—C388—C387	4 (3)	C326—N310—C325—C327	176.3 (18)
N326—C378—C375—C376	8 (4)	C326—N308—C324—N309	1 (3)
N326—C378—C375—C374	−173 (2)	C326—N308—C324—C321	−178.2 (18)
N315—C342—C339—C338	−9 (3)	C326—C334—C335—C336	178 (3)
N315—C342—C339—C340	172 (2)	C326—C334—C333—C332	−177 (3)
N304—C307—C309—C310	175 (2)	C365—N323—C466—C467	−43 (18)
N304—C307—C309—C313	−5 (4)	C365—N323—C366—C367	9 (5)
N305—C311—C310—C309	−3 (4)	C396—N333—C397—N334	−10 (4)
N321—C360—C357—C356	−15 (3)	C396—N333—C397—C399	173.8 (19)
N321—C360—C357—C358	167 (2)	C396—N332—C398—N334	0 (3)
N313—C341—C340—C339	−3 (4)	C396—N332—C398—C406	175 (2)
N307—C323—C322—C321	4 (4)	C396—C393—C392—C391	−179 (2)
N318—C354—C353—C352	3 (4)	C396—C393—C394—C395	177 (3)
N319—C359—C358—C357	−2 (4)	C359—N319—C355—C356	7 (3)
C360—N320—C362—N322	1 (3)	C400—C399—C503—C502	−19 (13)
C360—N320—C362—C370	−179.2 (16)	C400—C399—C403—C402	7 (6)
C360—N321—C361—N322	4 (3)	C349—C345—C343—N315	173 (2)
C360—N321—C361—C363	−174.2 (16)	C349—C345—C343—N316	−7 (3)
C360—C357—C358—C359	−176 (2)	C349—C345—C346—C347	0 (4)
N327—C378—C375—C376	−175 (2)	C350—N318—C354—C353	0 (4)
N327—C378—C375—C374	4 (4)	C310—C309—C313—C312	3 (4)
N328—C380—C388—C389	4 (3)	C346—C345—C343—N315	−6 (3)
N328—C380—C388—C387	−176 (2)	C346—C345—C343—N316	174 (2)
N303—C307—C309—C310	−11 (4)	C346—C345—C349—C348	2 (4)
N303—C307—C309—C313	169 (3)	C318—N306—C314—C315	0 (4)
N324—C368—C369—C370	1 (6)	C328—C327—C331—C330	−9 (4)
N324—C372—C371—C370	0 (6)	C317—C316—C308—N302	178 (2)
N306—C318—C317—C316	−1 (4)	C317—C316—C308—N304	0 (4)
N333—C397—C399—C400	11 (3)	C317—C316—C315—C314	−2 (4)
N333—C397—C399—C503	165 (8)	C335—C334—C326—N310	−17 (4)
N333—C397—C399—C403	−159 (3)	C335—C334—C326—N308	159 (3)
N333—C396—C393—C392	14 (4)	C335—C334—C333—C332	−1 (5)
N333—C396—C393—C394	−167 (3)	C399—C403—C402—N335	0 (7)
N335—C401—C400—C399	2 (4)	C7A—C4A—C3A—C2A	−176 (3)
N335—C502—C503—C399	−17 (17)	C7A—C4A—C5A—C13A	−1 (5)
C321—C320—C319—N307	−1 (4)	C7A—C4A—C5A—C6A	177 (3)
C345—C346—C347—N317	1 (5)	C7A—C8A—C9A—C10A	−3 (5)
N322—C362—C370—C369	−164 (2)	O2A—C8A—C9A—C10A	177 (3)
N322—C362—C370—C371	20 (3)	C4A—C7A—C8A—O2A	0 (5)
N332—C396—C393—C392	−166 (2)	C4A—C7A—C8A—C9A	179 (3)
N332—C396—C393—C394	13 (4)	C4A—C7A—C12A—O3A	2 (4)
C363—C364—C365—N323	7 (4)	C4A—C7A—C12A—C11A	−177 (3)
C363—C467—C466—N323	7 (24)	C4A—C3A—C2A—C1A	−2 (5)
C363—C367—C366—N323	−4 (5)	C4A—C5A—C13A—O1A	−159 (3)
C324—N309—C325—N310	3 (3)	C4A—C5A—C6A—C1A	1 (5)
C324—N309—C325—C327	−175.4 (16)	C376—C375—C374—C373	−7 (4)
C324—N308—C326—N310	0 (3)	C390—N330—C386—C387	0 (6)
C324—N308—C326—C334	−175.6 (18)	C385—C381—C379—N327	−177 (2)
C324—C321—C320—C319	−177 (2)	C385—C381—C379—N328	4 (3)
C324—C321—C322—C323	175 (2)	C385—C381—C382—C383	−2 (4)
C342—N314—C344—N316	0 (3)	C368—N324—C372—C371	−3 (6)
C342—N314—C344—C352	176 (2)	C313—C309—C310—C311	−1 (4)
C342—N315—C343—N316	−2 (3)	C302—C303—C304—C305	1 (4)
C342—N315—C343—C345	179.0 (19)	C302—C303—C306—N302	170 (3)
C342—C339—C340—C341	178 (2)	C302—C303—C306—N303	−10 (4)
C381—C382—C383—N329	2 (4)	C393—C392—C391—N331	0 (4)
C381—C385—C384—N329	1 (4)	C312—N305—C311—C310	4 (4)
C307—N304—C308—N302	−4 (3)	C333—C334—C326—N310	159 (3)
C307—N304—C308—C316	175 (2)	C333—C334—C326—N308	−24 (3)
C307—N303—C306—N302	−3 (4)	C333—C334—C335—C336	1 (5)
C307—N303—C306—C303	177 (2)	C404—N336—C408—C407	8 (6)
C307—C309—C310—C311	180 (100)	C377—N325—C373—C374	1 (4)
C307—C309—C313—C312	−177 (2)	C384—N329—C383—C382	−1 (4)
C309—C313—C312—N305	−2 (4)	C3A—C4A—C5A—C13A	−179 (3)
C361—N321—C360—N320	−6 (3)	C3A—C4A—C5A—C6A	−2 (5)
C361—N321—C360—C357	176.4 (16)	C3A—C2A—C1A—C6A	1 (5)
C361—N322—C362—N320	−2 (3)	C2A—C1A—C6A—C5A	−1 (5)
C361—N322—C362—C370	177.9 (17)	C5A—C4A—C3A—C2A	2 (5)
C361—C363—C364—C365	175 (2)	C331—C327—C328—C329	5 (3)
C361—C363—C467—C466	179 (12)	C347—N317—C348—C349	6 (4)
C361—C363—C367—C366	−177 (3)	C374—C375—C376—C377	3 (4)
N311—C329—C328—C327	0 (4)	C392—C393—C394—C395	−3 (5)
N317—C348—C349—C345	−5 (4)	C336—N312—C332—C333	−1 (5)
N336—C404—C405—C406	−7 (6)	C369—C370—C371—C372	3 (5)
N336—C408—C407—C406	−4 (7)	C383—N329—C384—C385	−1 (4)
C352—C351—C350—N318	3 (4)	C373—N325—C377—C376	−6 (5)
C325—N310—C326—N308	0 (3)	C322—C321—C324—N309	171.9 (19)
C325—N310—C326—C334	176.0 (18)	C322—C321—C324—N308	−9 (3)
C325—N309—C324—N308	−2 (2)	C322—C321—C320—C319	9 (4)
C325—N309—C324—C321	176.8 (16)	C8A—C7A—C4A—C3A	−72 (4)
C325—C327—C328—C329	−178 (2)	C8A—C7A—C4A—C5A	110 (4)
C325—C327—C331—C330	174 (2)	C8A—C7A—C12A—O3A	180 (3)
C356—C357—C358—C359	6 (3)	C8A—C7A—C12A—C11A	2 (5)
C338—C339—C340—C341	−1 (4)	C8A—C9A—C10A—C11A	3 (6)
C303—C304—C305—N301	1 (4)	C467—C363—C361—N321	−161 (8)
C303—C302—C301—N301	3 (6)	C467—C363—C361—N322	20 (8)
C304—C303—C306—N302	−8 (4)	C467—C363—C364—C365	−44 (6)
C304—C303—C306—N303	172 (2)	C387—C388—C389—C390	2 (4)
C304—C303—C302—C301	−2 (4)	C301—N301—C305—C304	0 (4)
C357—C356—C355—N319	−3 (3)	C372—N324—C368—C369	2 (6)
C380—N326—C378—N327	−7 (3)	C408—N336—C404—C405	−2 (5)
C380—N326—C378—C375	170 (2)	C371—C370—C369—C368	−4 (5)
C380—N328—C379—N327	−3 (3)	C407—C406—C398—N332	164 (3)
C380—N328—C379—C381	175.4 (19)	C407—C406—C398—N334	−21 (4)
C380—C388—C389—C390	−177 (2)	C407—C406—C405—C404	11 (5)
C380—C388—C387—C386	180 (3)	C466—N323—C365—C364	38 (7)
C354—N318—C350—C351	−3 (4)	C502—N335—C401—C400	−37 (7)
C316—C315—C314—N306	1 (4)	C391—N331—C395—C394	−3 (5)
N334—C397—C399—C400	−166 (2)	C395—N331—C391—C392	1 (4)
N334—C397—C399—C503	−12 (8)	C332—N312—C336—C335	2 (5)
N334—C397—C399—C403	24 (4)	C330—N311—C329—C328	−1 (4)
C378—N326—C380—N328	4 (3)	C394—C393—C392—C391	2 (4)
C378—N326—C380—C388	−175.0 (19)	C386—N330—C390—C389	3 (4)
C378—N327—C379—N328	1 (3)	C405—C406—C398—N332	−6 (4)
C378—N327—C379—C381	−177.9 (19)	C405—C406—C398—N334	169 (3)
C378—C375—C376—C377	−179 (3)	C405—C406—C407—C408	−5 (6)
C378—C375—C374—C373	174 (2)	C12A—C7A—C4A—C3A	107 (4)
C306—N302—C308—N304	3 (4)	C12A—C7A—C4A—C5A	−72 (4)
C306—N302—C308—C316	−175 (2)	C12A—C7A—C8A—O2A	−179 (3)
C306—N303—C307—N304	2 (4)	C12A—C7A—C8A—C9A	1 (5)
C306—N303—C307—C309	−171 (2)	C12A—C11A—C10A—C9A	0 (6)
C306—C303—C304—C305	178 (2)	C14A—O2A—C8A—C7A	−173 (3)
C306—C303—C302—C301	180 (3)	C14A—O2A—C8A—C9A	7 (5)
C308—N302—C306—N303	0 (3)	C10A—C11A—C12A—C7A	−2 (6)
C308—N302—C306—C303	−180 (2)	C10A—C11A—C12A—O3A	−180 (3)
C308—N304—C307—N303	1 (3)	C13A—C5A—C6A—C1A	179 (3)
C308—N304—C307—C309	174 (2)	C6A—C5A—C13A—O1A	24 (5)
C308—C316—C315—C314	179 (3)	C15A—O3A—C12A—C7A	−178 (4)
C308—C316—C317—C318	−179 (3)	C15A—O3A—C12A—C11A	0 (5)
C388—C389—C390—N330	−4 (4)	Zn42—N307—C319—C320	171.0 (18)
C388—C387—C386—N330	−1 (6)	Zn42—N307—C323—C322	−172.6 (19)
C343—N315—C342—N314	−2 (3)	Zn42—N306—C314—C315	−170 (2)
C343—N315—C342—C339	173 (2)	Zn42—N306—C318—C317	170 (2)
C343—N316—C344—N314	−3 (3)	Zn47^iii—N335—C401—C400	−179.9 (18)
C343—N316—C344—C352	−179.3 (19)	Zn47^iii—N335—C402—C403	179 (4)
C343—C345—C349—C348	−177 (2)	Zn47—N329—C384—C385	171 (2)
C343—C345—C346—C347	179 (2)	Zn47—N329—C383—C382	−172 (3)
N331—C395—C394—C393	4 (6)	Zn41—N301—C305—C304	180 (2)
C315—C316—C308—N302	−3 (3)	Zn41—N301—C301—C302	179 (3)
C315—C316—C308—N304	179 (2)	Zn41^ii—N311—C329—C328	170.3 (19)
C315—C316—C317—C318	2 (4)	Zn41^ii—N311—C330—C331	−176 (2)
C339—C338—C337—N313	−10 (4)	Zn43—N313—C341—C340	−176 (2)
C341—N313—C337—C338	7 (4)	Zn43—N313—C337—C338	−178 (2)
C344—N314—C342—N315	3 (3)	Zn43—N312—C336—C335	−171 (2)
C344—N314—C342—C339	−171.7 (19)	Zn43—N312—C332—C333	173 (3)
C344—N316—C343—N315	4 (3)	Zn48—N330—C390—C389	−175 (2)
C344—N316—C343—C345	−177.0 (19)	Zn48—N330—C386—C387	178 (3)
C344—C352—C351—C350	179 (2)	Zn48—N331—C391—C392	172.9 (17)
C344—C352—C353—C354	178 (2)	Zn48—N331—C395—C394	−176 (3)
C327—C331—C330—N311	9 (5)	Zn34^v—N323—C365—C364	178.5 (19)
C327—C331—C330—Zn41^ii	1 (10)	Zn34^v—N323—C466—C467	173 (13)
C379—N327—C378—N326	5 (3)	Zn34—N317—C348—C349	−172 (2)
C379—N327—C378—C375	−172 (2)	Zn34—N317—C347—C346	175 (2)
C379—N328—C380—N326	0 (3)	Zn46—N324—C368—C369	175 (3)
C379—N328—C380—C388	179.9 (19)	Zn46—N324—C372—C371	−177 (3)
C379—C381—C382—C383	−177 (2)	Zn46—N325—C377—C376	179 (100)
C379—C381—C385—C384	176 (2)	Zn46—N325—C373—C374	176 (2)
C362—N320—C360—N321	4 (3)	Zn54^v—N323—C365—C364	177 (5)
C362—N320—C360—C357	−178.8 (15)	Zn54—N317—C348—C349	175 (3)
C362—N322—C361—N321	−1 (3)	Zn54—N317—C347—C346	−168 (4)
C362—N322—C361—C363	177.9 (17)	Zn58—N330—C390—C389	157 (3)
C362—C370—C369—C368	−180 (3)	Zn58—N330—C386—C387	−148 (3)
C362—C370—C371—C372	179 (3)	Zn58—N331—C391—C392	166 (6)
C364—C363—C361—N321	−25 (3)	Zn58—N331—C395—C394	−176 (4)
C364—C363—C361—N322	156 (2)	C402—N335—C401—C400	5 (5)
C364—C363—C467—C466	36 (16)	C367—C363—C361—N321	151 (2)
C364—C363—C367—C366	0 (4)	C367—C363—C361—N322	−27 (3)
C355—N319—C359—C358	−5 (3)	C367—C363—C364—C365	−2 (4)
C355—C356—C357—C360	178.1 (18)	C366—N323—C365—C364	−10 (4)

Symmetry codes: (i) x, −y+1, z+1/2; (ii) x, −y, z+1/2; (iii) x, −y, z−1/2; (iv) x+1/2, y+1/2, z; (v) x, −y+1, z−1/2; (vi) x−1/2, y−1/2, z.

catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc cyclohexane solvate (4_1_96b)

Crystal data

C36H24I6N12Zn3·0.289(C6H12)	F(000) = 5967
Mr = 1606.46	Dx = 1.387 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.4432 (11) Å	Cell parameters from 13332 reflections
b = 15.0627 (4) Å	θ = 2.6–65.2°
c = 30.2136 (14) Å	µ = 20.20 mm^−1
β = 100.996 (4)°	T = 100 K
V = 15387.3 (10) Å^3	Block, colourless
Z = 8	0.22 × 0.16 × 0.07 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	13871 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	9808 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.042
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −41→41
Absorption correction: gaussian CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Numerical absorption correction based on gaussian integration over a multifaceted crystal model Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −17→17
Tmin = 0.056, Tmax = 0.475	l = −35→35
66878 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.090	H-atom parameters constrained
wR(F^2) = 0.297	w = 1/[σ^2(Fo^2) + (0.1591P)^2 + 158.7637P] where P = (Fo^2 + 2Fc^2)/3
S = 1.05	(Δ/σ)max < 0.001
13871 reflections	Δρmax = 1.43 e Å^−3
668 parameters	Δρmin = −1.18 e Å^−3
139 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I306	0.38426 (14)	1.2404 (4)	0.4420 (2)	0.0865 (11)	0.69 (3)
I305	0.47569 (8)	1.1506 (2)	0.36317 (12)	0.0796 (12)	0.69 (3)
I402	0.1191 (2)	−0.2357 (4)	0.5750 (3)	0.136 (2)	0.465
I403	0.37578 (15)	0.6567 (3)	0.80787 (16)	0.1007 (11)	0.3989
I401	0.1599 (2)	−0.0546 (8)	0.4717 (3)	0.139 (2)	0.465
Zn33	0.42061 (13)	1.1230 (3)	0.40616 (14)	0.0640 (19)	0.69 (3)
I404	0.27053 (12)	0.7347 (3)	0.70923 (15)	0.0981 (10)	0.3989
Zn41	0.1352 (4)	−0.0866 (9)	0.5429 (4)	0.103 (4)	0.465
Zn42	0.3308 (2)	0.6377 (5)	0.7317 (2)	0.0748 (16)	0.3989
N303	0.2808 (2)	0.0522 (5)	0.7251 (3)	0.068 (2)
N305	0.3791 (2)	−0.0497 (6)	0.8601 (3)	0.070 (2)
N304	0.3184 (3)	0.1796 (5)	0.7505 (3)	0.072 (3)
N308	0.4293 (3)	0.7771 (6)	0.5612 (3)	0.074 (2)
N310	0.4819 (3)	0.7317 (5)	0.5258 (3)	0.072 (2)
N312	0.4372 (3)	1.0237 (6)	0.4529 (3)	0.071 (2)
N302	0.2667 (3)	0.1900 (6)	0.6863 (3)	0.075 (3)
N309	0.4637 (3)	0.6454 (6)	0.5839 (4)	0.079 (3)
N311	0.5827 (3)	0.4882 (7)	0.5476 (5)	0.095 (4)
C327	0.5187 (3)	0.6000 (6)	0.5513 (4)	0.070 (3)
C334	0.4496 (3)	0.8711 (6)	0.5049 (4)	0.064 (3)
C307	0.3098 (3)	0.0940 (6)	0.7536 (4)	0.068 (3)
C336	0.4668 (3)	0.9659 (7)	0.4495 (4)	0.069 (3)
H336	0.483435	0.978667	0.428539	0.083*
N306	0.3136 (4)	0.5028 (7)	0.7206 (5)	0.111 (4)
C308	0.2956 (3)	0.2254 (7)	0.7165 (4)	0.072 (3)
C326	0.4540 (4)	0.7876 (7)	0.5322 (4)	0.073 (3)
N301	0.1723 (3)	−0.0300 (6)	0.5982 (4)	0.099 (4)
C335	0.4738 (3)	0.8900 (7)	0.4749 (4)	0.073 (3)
H335	0.494929	0.851332	0.471755	0.088*
C311	0.3506 (3)	−0.0892 (7)	0.8315 (4)	0.080 (3)
H311	0.346381	−0.150714	0.835534	0.096*
C325	0.4863 (3)	0.6610 (7)	0.5529 (4)	0.070 (3)
C303	0.2313 (3)	0.0567 (7)	0.6587 (4)	0.073 (3)
C306	0.2603 (3)	0.1014 (6)	0.6921 (4)	0.069 (3)
C309	0.3335 (3)	0.0437 (6)	0.7912 (4)	0.065 (3)
C331	0.5357 (4)	0.5930 (8)	0.5133 (5)	0.086 (4)
H331	0.525556	0.627572	0.487368	0.103*
C324	0.4357 (3)	0.7033 (7)	0.5857 (4)	0.073 (3)
C321	0.4098 (4)	0.6883 (8)	0.6181 (4)	0.080 (3)
N307	0.3596 (5)	0.6571 (7)	0.6787 (5)	0.118 (5)
C316	0.3018 (4)	0.3216 (7)	0.7171 (5)	0.086 (4)
C310	0.3271 (4)	−0.0471 (7)	0.7967 (4)	0.085 (4)
H310	0.306902	−0.078039	0.776787	0.102*
C304	0.2075 (4)	0.1012 (7)	0.6232 (5)	0.089 (4)
H304	0.211036	0.162946	0.619065	0.106*
C330	0.5673 (4)	0.5367 (8)	0.5126 (5)	0.085 (3)
H330	0.578079	0.532998	0.485978	0.102*
C302	0.2230 (4)	−0.0325 (7)	0.6628 (5)	0.098 (5)
H302	0.237639	−0.066437	0.686836	0.118*
C332	0.4164 (5)	1.0076 (9)	0.4827 (6)	0.099 (4)
H332	0.397001	1.049835	0.487061	0.119*
C333	0.4209 (5)	0.9302 (10)	0.5096 (5)	0.103 (5)
H333	0.404098	0.919725	0.530615	0.123*
C305	0.1788 (4)	0.0558 (8)	0.5942 (5)	0.098 (5)
H305	0.162991	0.087410	0.570158	0.118*
C301	0.1939 (4)	−0.0714 (8)	0.6322 (6)	0.121 (7)
H301	0.188868	−0.132695	0.635897	0.145*
C320	0.4171 (6)	0.6235 (11)	0.6516 (6)	0.117 (5)
H320	0.440380	0.588518	0.654734	0.140*
C329	0.5683 (6)	0.4975 (13)	0.5851 (7)	0.135 (7)
H329	0.580663	0.465593	0.611148	0.162*
C315	0.2786 (5)	0.3780 (8)	0.6882 (6)	0.121 (6)
H315	0.257586	0.355412	0.666038	0.145*
C318	0.3371 (7)	0.4508 (10)	0.7472 (8)	0.149 (8)
H318	0.359717	0.474732	0.766408	0.179*
C313	0.3610 (4)	0.0860 (9)	0.8221 (5)	0.111 (6)
H313	0.365267	0.148055	0.820066	0.133*
C314	0.2858 (6)	0.4689 (10)	0.6913 (8)	0.135 (7)
H314	0.269472	0.507374	0.670783	0.163*
C312	0.3825 (4)	0.0370 (7)	0.8563 (5)	0.108 (6)
H312	0.400865	0.067244	0.878675	0.129*
C322	0.3741 (7)	0.7311 (11)	0.6147 (7)	0.137 (7)
H322	0.366128	0.771850	0.590623	0.165*
C317	0.3298 (6)	0.3618 (9)	0.7482 (6)	0.130 (7)
H317	0.344933	0.326848	0.771419	0.157*
C328	0.5366 (5)	0.5503 (12)	0.5884 (6)	0.119 (6)
H328	0.526943	0.553012	0.615774	0.143*
C323	0.3503 (6)	0.7176 (10)	0.6437 (8)	0.126 (6)
H323	0.326328	0.750138	0.640549	0.151*
C319	0.3914 (6)	0.6095 (13)	0.6798 (7)	0.127 (6)
H319	0.396753	0.562930	0.701366	0.152*
I302	0.1125 (3)	−0.2426 (4)	0.5897 (4)	0.169 (5)	0.4818
Zn31	0.1281 (4)	−0.0970 (7)	0.5531 (4)	0.094 (3)	0.4818
I301	0.1495 (2)	−0.0827 (9)	0.4778 (3)	0.163 (4)	0.4818
I304	0.25334 (13)	0.7190 (2)	0.6838 (2)	0.192 (2)	0.5661
Zn32	0.3166 (2)	0.6424 (4)	0.7171 (3)	0.139 (3)	0.5661
I303	0.3567 (2)	0.6754 (3)	0.79672 (17)	0.220 (3)	0.5661
I406	0.3779 (5)	1.2255 (11)	0.4464 (4)	0.100 (3)	0.31 (3)
Zn43	0.4188 (4)	1.1223 (6)	0.4062 (4)	0.105 (8)	0.31 (3)
I405	0.4778 (3)	1.1495 (6)	0.3693 (5)	0.161 (7)	0.31 (3)
I504	0.2392 (8)	0.694 (2)	0.6461 (8)	0.080*	0.035
I503	0.3426 (7)	0.7063 (18)	0.7633 (8)	0.080*	0.035
Zn52	0.3061 (11)	0.648 (4)	0.6888 (13)	0.080*	0.035
I502	0.0972 (7)	−0.2313 (17)	0.6032 (7)	0.080*	0.0532
Zn51	0.121 (2)	−0.101 (5)	0.5701 (18)	0.080*	0.0532
I501	0.1507 (8)	−0.0893 (16)	0.4959 (7)	0.080*	0.0532
C2	0.3743 (13)	0.004 (4)	0.6658 (19)	0.157 (15)	0.2885
H2A	0.374275	0.060404	0.682949	0.188*	0.2885
H2B	0.352591	0.007468	0.639210	0.188*	0.2885
C3	0.4139 (15)	−0.005 (4)	0.6500 (16)	0.153 (15)	0.2885
H3A	0.418198	0.047426	0.631692	0.184*	0.2885
H3B	0.413496	−0.058574	0.631063	0.184*	0.2885
C4	0.4476 (12)	−0.012 (3)	0.691 (2)	0.152 (15)	0.2885
H4A	0.473446	−0.013860	0.681766	0.183*	0.2885
H4B	0.447305	0.040549	0.711183	0.183*	0.2885
C5	0.4416 (13)	−0.097 (3)	0.7173 (18)	0.155 (15)	0.2885
H5A	0.442583	−0.149051	0.697650	0.186*	0.2885
H5B	0.463256	−0.102721	0.743903	0.186*	0.2885
C6	0.4019 (15)	−0.095 (4)	0.7329 (15)	0.145 (14)	0.2885
H6A	0.397359	−0.153962	0.745655	0.174*	0.2885
H6B	0.403224	−0.050705	0.757215	0.174*	0.2885
C7	0.3669 (12)	−0.073 (3)	0.6956 (16)	0.124 (13)	0.2885
H7A	0.343789	−0.059239	0.709359	0.149*	0.2885
H7B	0.360223	−0.126474	0.676366	0.149*	0.2885

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I306	0.0859 (18)	0.0407 (15)	0.122 (2)	0.0052 (10)	−0.0079 (11)	0.0049 (12)
I305	0.0728 (16)	0.0836 (14)	0.0759 (15)	−0.0168 (13)	−0.0024 (9)	−0.0047 (9)
I402	0.107 (3)	0.053 (2)	0.199 (4)	0.0003 (17)	−0.098 (3)	−0.009 (2)
I403	0.142 (2)	0.0470 (13)	0.1006 (18)	−0.0085 (13)	−0.0077 (17)	−0.0062 (11)
I401	0.070 (3)	0.193 (6)	0.140 (3)	0.010 (3)	−0.019 (2)	−0.081 (3)
Zn33	0.059 (3)	0.056 (4)	0.067 (3)	−0.001 (2)	−0.012 (2)	0.005 (2)
I404	0.102 (2)	0.0438 (13)	0.150 (2)	0.0131 (12)	0.0261 (17)	0.0175 (13)
Zn41	0.067 (5)	0.076 (4)	0.137 (6)	0.016 (3)	−0.053 (4)	−0.032 (4)
Zn42	0.091 (3)	0.030 (2)	0.097 (3)	−0.006 (2)	0.002 (3)	0.0058 (19)
N303	0.064 (5)	0.027 (4)	0.099 (6)	0.006 (3)	−0.021 (4)	−0.003 (4)
N305	0.060 (5)	0.047 (4)	0.091 (6)	0.006 (4)	−0.016 (4)	−0.010 (4)
N304	0.065 (5)	0.025 (4)	0.113 (7)	0.005 (3)	−0.020 (5)	−0.008 (4)
N308	0.072 (6)	0.056 (5)	0.082 (6)	0.001 (4)	−0.015 (5)	0.005 (4)
N310	0.072 (5)	0.043 (4)	0.084 (6)	0.010 (4)	−0.026 (4)	0.004 (4)
N312	0.066 (5)	0.062 (5)	0.078 (6)	0.006 (4)	−0.007 (5)	0.005 (4)
N302	0.074 (6)	0.041 (4)	0.097 (6)	0.013 (4)	−0.015 (5)	0.004 (4)
N309	0.079 (6)	0.047 (5)	0.094 (7)	−0.002 (4)	−0.023 (5)	0.003 (4)
N311	0.085 (7)	0.061 (6)	0.117 (9)	0.011 (5)	−0.040 (7)	−0.012 (6)
C327	0.061 (6)	0.037 (5)	0.098 (8)	0.003 (4)	−0.022 (6)	0.001 (5)
C334	0.069 (6)	0.042 (5)	0.070 (6)	0.005 (4)	−0.015 (5)	0.006 (4)
C307	0.061 (6)	0.030 (4)	0.100 (7)	0.007 (4)	−0.016 (5)	0.000 (4)
C336	0.058 (6)	0.055 (6)	0.086 (7)	0.006 (5)	−0.012 (5)	0.007 (5)
N306	0.128 (10)	0.032 (5)	0.176 (13)	−0.014 (6)	0.037 (9)	−0.007 (7)
C308	0.066 (6)	0.037 (5)	0.104 (8)	0.004 (4)	−0.009 (6)	0.002 (5)
C326	0.076 (7)	0.050 (6)	0.078 (7)	0.005 (5)	−0.020 (6)	0.012 (5)
N301	0.077 (6)	0.050 (5)	0.140 (9)	0.016 (4)	−0.051 (6)	−0.022 (5)
C335	0.069 (6)	0.049 (6)	0.086 (7)	0.010 (5)	−0.027 (6)	−0.001 (5)
C311	0.076 (7)	0.045 (5)	0.100 (8)	−0.002 (5)	−0.028 (6)	−0.003 (5)
C325	0.069 (6)	0.045 (5)	0.082 (7)	0.006 (5)	−0.021 (6)	0.001 (5)
C303	0.058 (6)	0.048 (5)	0.101 (8)	0.013 (4)	−0.020 (5)	−0.007 (5)
C306	0.064 (6)	0.029 (4)	0.100 (7)	0.009 (4)	−0.020 (5)	−0.005 (4)
C309	0.061 (5)	0.027 (4)	0.094 (7)	0.009 (4)	−0.019 (5)	−0.002 (4)
C331	0.077 (7)	0.065 (7)	0.099 (9)	0.014 (6)	−0.023 (7)	0.009 (6)
C324	0.076 (7)	0.041 (5)	0.090 (7)	−0.002 (5)	−0.018 (6)	0.005 (5)
C321	0.076 (7)	0.055 (6)	0.100 (8)	−0.003 (5)	−0.010 (6)	−0.002 (6)
N307	0.166 (13)	0.039 (5)	0.175 (13)	−0.014 (7)	0.094 (11)	−0.001 (7)
C316	0.087 (8)	0.039 (6)	0.124 (10)	0.002 (5)	−0.005 (7)	0.001 (6)
C310	0.081 (7)	0.044 (5)	0.108 (9)	−0.006 (5)	−0.036 (6)	0.003 (5)
C304	0.091 (8)	0.037 (5)	0.117 (9)	0.003 (5)	−0.033 (7)	−0.003 (6)
C330	0.067 (7)	0.059 (7)	0.116 (9)	0.006 (5)	−0.012 (6)	0.008 (6)
C302	0.082 (8)	0.040 (6)	0.143 (11)	0.014 (5)	−0.054 (8)	−0.010 (6)
C332	0.110 (10)	0.059 (7)	0.128 (11)	0.040 (7)	0.019 (9)	0.017 (7)
C333	0.113 (11)	0.093 (10)	0.100 (9)	0.042 (9)	0.015 (8)	0.030 (8)
C305	0.101 (9)	0.056 (7)	0.110 (9)	0.027 (6)	−0.051 (8)	−0.017 (6)
C301	0.102 (10)	0.049 (6)	0.171 (14)	0.009 (6)	−0.077 (10)	−0.011 (8)
C320	0.128 (13)	0.078 (10)	0.149 (14)	0.021 (9)	0.037 (12)	0.025 (10)
C329	0.123 (13)	0.126 (15)	0.137 (14)	0.066 (12)	−0.024 (11)	0.046 (12)
C315	0.122 (11)	0.035 (6)	0.178 (15)	0.014 (7)	−0.039 (11)	0.020 (7)
C318	0.19 (2)	0.040 (7)	0.189 (19)	−0.017 (10)	−0.026 (16)	0.007 (9)
C313	0.108 (10)	0.052 (7)	0.138 (12)	0.002 (6)	−0.065 (9)	−0.006 (7)
C314	0.140 (15)	0.040 (7)	0.21 (2)	0.022 (8)	−0.009 (14)	0.024 (10)
C312	0.113 (10)	0.040 (6)	0.133 (11)	0.000 (6)	−0.072 (9)	−0.002 (6)
C322	0.20 (2)	0.068 (9)	0.166 (17)	0.043 (11)	0.076 (16)	0.034 (10)
C317	0.164 (16)	0.044 (7)	0.154 (14)	−0.033 (8)	−0.044 (12)	0.010 (8)
C328	0.121 (12)	0.121 (13)	0.110 (11)	0.057 (11)	0.005 (9)	0.043 (10)
C323	0.138 (14)	0.059 (8)	0.196 (19)	0.014 (9)	0.070 (14)	0.019 (10)
C319	0.131 (14)	0.094 (12)	0.166 (17)	0.002 (11)	0.055 (13)	0.042 (11)
I302	0.144 (5)	0.0360 (16)	0.282 (10)	−0.0066 (19)	−0.076 (5)	−0.007 (3)
Zn31	0.069 (6)	0.053 (3)	0.139 (7)	0.021 (3)	−0.037 (5)	−0.033 (5)
I301	0.073 (3)	0.239 (9)	0.160 (5)	0.013 (3)	−0.023 (3)	−0.118 (5)
I304	0.187 (4)	0.0552 (17)	0.379 (7)	0.054 (2)	0.165 (4)	0.079 (3)
Zn32	0.187 (7)	0.0280 (19)	0.227 (8)	−0.007 (3)	0.104 (7)	0.000 (4)
I303	0.394 (8)	0.108 (3)	0.200 (5)	−0.136 (4)	0.164 (5)	−0.075 (3)
I406	0.160 (8)	0.039 (4)	0.092 (3)	0.020 (4)	0.004 (4)	0.004 (2)
Zn43	0.125 (11)	0.019 (5)	0.134 (12)	−0.009 (5)	−0.071 (8)	0.001 (5)
I405	0.180 (10)	0.114 (6)	0.152 (7)	−0.094 (7)	−0.059 (7)	0.030 (5)
C2	0.17 (3)	0.12 (3)	0.19 (3)	0.01 (3)	0.09 (3)	0.01 (2)
C3	0.19 (3)	0.11 (3)	0.19 (4)	0.01 (3)	0.11 (3)	0.01 (3)
C4	0.18 (3)	0.11 (3)	0.20 (4)	0.03 (3)	0.12 (3)	−0.02 (3)
C5	0.20 (3)	0.12 (3)	0.18 (3)	0.03 (3)	0.10 (3)	−0.01 (3)
C6	0.19 (3)	0.11 (3)	0.15 (3)	0.01 (3)	0.09 (2)	−0.02 (2)
C7	0.18 (3)	0.08 (2)	0.13 (3)	0.00 (2)	0.09 (2)	−0.04 (2)

Geometric parameters (Å, º)

I306—Zn33	2.528 (5)	N307—C323	1.38 (2)
I305—Zn33	2.530 (4)	N307—C319	1.30 (2)
I402—Zn41	2.549 (11)	N307—Zn32	2.061 (14)
I403—Zn42	2.533 (7)	N307—Zn52	1.93 (5)
I401—Zn41	2.507 (12)	C316—C315	1.364 (17)
Zn33—N305^i	2.106 (10)	C316—C317	1.353 (19)
Zn33—N312	2.062 (10)	C310—H310	0.9500
I404—Zn42	2.523 (7)	C304—H304	0.9500
Zn41—N311^ii	2.16 (2)	C304—C305	1.370 (16)
Zn41—N301	2.082 (13)	C330—H330	0.9500
Zn42—N306	2.125 (13)	C302—H302	0.9500
Zn42—N307	2.061 (15)	C302—C301	1.360 (16)
N303—C307	1.343 (12)	C332—H332	0.9500
N303—C306	1.331 (12)	C332—C333	1.412 (18)
N305—C311	1.318 (13)	C333—H333	0.9500
N305—C312	1.319 (14)	C305—H305	0.9500
N304—C307	1.330 (12)	C301—H301	0.9500
N304—C308	1.356 (13)	C320—H320	0.9500
N308—C326	1.340 (16)	C320—C319	1.36 (2)
N308—C324	1.331 (14)	C329—H329	0.9500
N310—C326	1.321 (15)	C329—C328	1.37 (2)
N310—C325	1.336 (14)	C329—Zn51^iii	2.44 (7)
N312—C336	1.360 (14)	C315—H315	0.9500
N312—C332	1.276 (18)	C315—C314	1.39 (2)
N312—Zn43	2.064 (13)	C318—H318	0.9500
N302—C308	1.329 (14)	C318—C317	1.365 (19)
N302—C306	1.369 (13)	C313—H313	0.9500
N309—C325	1.349 (16)	C313—C312	1.366 (17)
N309—C324	1.308 (15)	C314—H314	0.9500
N311—C330	1.313 (17)	C312—H312	0.9500
N311—C329	1.33 (2)	C322—H322	0.9500
N311—Zn31^iii	2.007 (18)	C322—C323	1.33 (2)
N311—Zn51^iii	1.91 (7)	C317—H317	0.9500
C327—C325	1.452 (15)	C328—H328	0.9500
C327—C331	1.390 (19)	C323—H323	0.9500
C327—C328	1.390 (17)	C319—H319	0.9500
C334—C326	1.498 (14)	I302—Zn31	2.559 (10)
C334—C335	1.375 (17)	Zn31—I301	2.531 (11)
C334—C333	1.357 (17)	I304—Zn32	2.502 (8)
C307—C309	1.477 (13)	Zn32—I303	2.583 (9)
C336—H336	0.9500	I406—Zn43	2.554 (11)
C336—C335	1.372 (15)	Zn43—I405	2.530 (12)
N306—C318	1.29 (2)	I504—Zn52	2.517 (17)
N306—C314	1.28 (2)	I503—Zn52	2.521 (17)
N306—Zn32	2.109 (11)	I502—Zn51	2.41 (7)
N306—Zn52	2.38 (6)	Zn51—I501	2.65 (5)
C308—C316	1.464 (14)	C2—H2A	0.9900
N301—C305	1.320 (17)	C2—H2B	0.9900
N301—C301	1.308 (16)	C2—C3	1.534 (13)
N301—Zn31	2.096 (13)	C2—C7	1.525 (13)
N301—Zn51	2.11 (7)	C3—H3A	0.9900
C335—H335	0.9500	C3—H3B	0.9900
C311—H311	0.9500	C3—C4	1.541 (13)
C311—C310	1.358 (15)	C4—H4A	0.9900
C303—C306	1.445 (14)	C4—H4B	0.9900
C303—C304	1.391 (15)	C4—C5	1.534 (13)
C303—C302	1.385 (16)	C5—H5A	0.9900
C309—C310	1.400 (14)	C5—H5B	0.9900
C309—C313	1.355 (15)	C5—C6	1.528 (13)
C331—H331	0.9500	C6—H6A	0.9900
C331—C330	1.381 (18)	C6—H6B	0.9900
C324—C321	1.462 (19)	C6—C7	1.520 (13)
C321—C320	1.40 (2)	C7—H7A	0.9900
C321—C322	1.38 (2)	C7—H7B	0.9900
I306—Zn33—I305	125.9 (2)	N312—C332—H332	118.4
N305^i—Zn33—I306	108.7 (3)	N312—C332—C333	123.2 (12)
N305^i—Zn33—I305	103.2 (3)	C333—C332—H332	118.4
N312—Zn33—I306	108.0 (4)	C334—C333—C332	118.9 (14)
N312—Zn33—I305	109.5 (4)	C334—C333—H333	120.6
N312—Zn33—N305^i	97.9 (4)	C332—C333—H333	120.6
I401—Zn41—I402	129.0 (7)	N301—C305—C304	123.0 (11)
N311^ii—Zn41—I402	101.0 (7)	N301—C305—H305	118.5
N311^ii—Zn41—I401	112.5 (7)	C304—C305—H305	118.5
N301—Zn41—I402	101.5 (5)	N301—C301—C302	124.4 (13)
N301—Zn41—I401	110.6 (7)	N301—C301—H301	117.8
N301—Zn41—N311^ii	97.3 (7)	C302—C301—H301	117.8
I404—Zn42—I403	120.6 (3)	C321—C320—H320	119.4
N306—Zn42—I403	110.8 (6)	C319—C320—C321	121.1 (16)
N306—Zn42—I404	108.8 (5)	C319—C320—H320	119.4
N307—Zn42—I403	112.8 (6)	N311—C329—H329	118.1
N307—Zn42—I404	101.7 (5)	N311—C329—C328	123.7 (14)
N307—Zn42—N306	100.0 (6)	N311—C329—Zn51^iii	50.9 (15)
C306—N303—C307	116.3 (8)	C328—C329—H329	118.1
C311—N305—Zn33^iv	121.5 (7)	C328—C329—Zn51^iii	173 (2)
C311—N305—C312	117.1 (9)	Zn51^iii—C329—H329	67.4
C312—N305—Zn33^iv	121.1 (7)	C316—C315—H315	120.2
C307—N304—C308	116.3 (8)	C316—C315—C314	119.7 (15)
C324—N308—C326	113.8 (10)	C314—C315—H315	120.2
C326—N310—C325	114.7 (11)	N306—C318—H318	119.5
C336—N312—Zn33	121.7 (9)	N306—C318—C317	121.0 (18)
C336—N312—Zn43	123.0 (9)	C317—C318—H318	119.5
C332—N312—Zn33	120.1 (8)	C309—C313—H313	120.9
C332—N312—C336	117.6 (10)	C309—C313—C312	118.2 (11)
C332—N312—Zn43	118.6 (9)	C312—C313—H313	120.9
C308—N302—C306	114.9 (8)	N306—C314—C315	122.6 (15)
C324—N309—C325	116.1 (10)	N306—C314—H314	118.7
C330—N311—Zn41^iii	116.9 (12)	C315—C314—H314	118.7
C330—N311—C329	118.0 (12)	N305—C312—C313	123.9 (11)
C330—N311—Zn31^iii	127.7 (13)	N305—C312—H312	118.1
C330—N311—Zn51^iii	145.5 (19)	C313—C312—H312	118.1
C329—N311—Zn41^iii	124.4 (9)	C321—C322—H322	118.8
C329—N311—Zn31^iii	114.2 (10)	C323—C322—C321	122.3 (17)
C329—N311—Zn51^iii	96.5 (17)	C323—C322—H322	118.8
C331—C327—C325	121.6 (10)	C316—C317—C318	122.3 (16)
C331—C327—C328	115.7 (12)	C316—C317—H317	118.9
C328—C327—C325	122.5 (13)	C318—C317—H317	118.9
C335—C334—C326	121.8 (10)	C327—C328—H328	120.3
C333—C334—C326	119.6 (12)	C329—C328—C327	119.5 (17)
C333—C334—C335	118.7 (11)	C329—C328—H328	120.3
N303—C307—C309	119.2 (8)	N307—C323—H323	119.2
N304—C307—N303	123.8 (9)	C322—C323—N307	121.6 (17)
N304—C307—C309	117.0 (9)	C322—C323—H323	119.2
N312—C336—H336	118.5	N307—C319—C320	122.8 (16)
N312—C336—C335	123.0 (12)	N307—C319—H319	118.6
C335—C336—H336	118.5	C320—C319—H319	118.6
C318—N306—Zn42	111.2 (12)	N311^ii—Zn31—N301	101.7 (6)
C318—N306—Zn32	127.4 (12)	N311^ii—Zn31—I302	111.0 (7)
C318—N306—Zn52	144.7 (15)	N311^ii—Zn31—I301	103.1 (7)
C314—N306—Zn42	129.7 (12)	N301—Zn31—I302	108.6 (6)
C314—N306—C318	119.1 (13)	N301—Zn31—I301	104.1 (7)
C314—N306—Zn32	113.5 (11)	I301—Zn31—I302	125.6 (6)
C314—N306—Zn52	94.3 (13)	N306—Zn32—I304	115.7 (5)
N304—C308—C316	115.7 (10)	N306—Zn32—I303	99.6 (5)
N302—C308—N304	124.4 (9)	N307—Zn32—N306	100.5 (5)
N302—C308—C316	119.6 (10)	N307—Zn32—I304	112.9 (6)
N308—C326—C334	116.6 (10)	N307—Zn32—I303	101.0 (6)
N310—C326—N308	126.3 (10)	I304—Zn32—I303	123.7 (3)
N310—C326—C334	117.0 (12)	N305^i—Zn43—I406	106.7 (6)
C305—N301—Zn41	114.7 (9)	N305^i—Zn43—I405	105.8 (6)
C305—N301—Zn31	121.9 (8)	N312—Zn43—N305^i	99.1 (5)
C305—N301—Zn51	127 (2)	N312—Zn43—I406	103.8 (6)
C301—N301—Zn41	127.3 (9)	N312—Zn43—I405	104.5 (7)
C301—N301—C305	117.2 (10)	I405—Zn43—I406	132.3 (6)
C301—N301—Zn31	121.0 (9)	N306—Zn52—I504	119 (2)
C301—N301—Zn51	113 (2)	N306—Zn52—I503	87.9 (15)
C334—C335—H335	120.8	N307—Zn52—N306	95.6 (17)
C336—C335—C334	118.5 (11)	N307—Zn52—I504	135 (3)
C336—C335—H335	120.8	N307—Zn52—I503	77.7 (13)
N305—C311—H311	118.1	I504—Zn52—I503	127.7 (18)
N305—C311—C310	123.9 (10)	N311^ii—Zn51—N301	105 (3)
C310—C311—H311	118.1	N311^ii—Zn51—C329^ii	32.6 (11)
N310—C325—N309	123.5 (10)	N311^ii—Zn51—I502	117 (3)
N310—C325—C327	118.8 (12)	N311^ii—Zn51—I501	90 (2)
N309—C325—C327	117.6 (10)	N301—Zn51—C329^ii	102 (3)
C304—C303—C306	122.9 (10)	N301—Zn51—I502	125 (3)
C302—C303—C306	121.1 (10)	N301—Zn51—I501	82.6 (19)
C302—C303—C304	115.8 (10)	C329^ii—Zn51—I501	122 (3)
N303—C306—N302	124.3 (9)	I502—Zn51—I501	129 (3)
N303—C306—C303	117.6 (9)	H2A—C2—H2B	107.9
N302—C306—C303	118.0 (9)	C3—C2—H2A	109.2
C310—C309—C307	121.0 (9)	C3—C2—H2B	109.2
C313—C309—C307	120.0 (9)	C7—C2—H2A	109.2
C313—C309—C310	118.9 (10)	C7—C2—H2B	109.2
C327—C331—H331	119.5	C7—C2—C3	112 (2)
C330—C331—C327	121.1 (12)	C2—C3—H3A	109.8
C330—C331—H331	119.5	C2—C3—H3B	109.8
N308—C324—C321	116.4 (11)	C2—C3—C4	109.2 (19)
N309—C324—N308	125.4 (13)	H3A—C3—H3B	108.3
N309—C324—C321	118.2 (10)	C4—C3—H3A	109.8
C320—C321—C324	123.1 (13)	C4—C3—H3B	109.8
C322—C321—C324	122.0 (13)	C3—C4—H4A	110.0
C322—C321—C320	114.6 (15)	C3—C4—H4B	110.0
C323—N307—Zn42	127.6 (12)	H4A—C4—H4B	108.4
C323—N307—Zn32	114.4 (13)	C5—C4—C3	108.5 (19)
C323—N307—Zn52	95 (2)	C5—C4—H4A	110.0
C319—N307—Zn42	115.3 (13)	C5—C4—H4B	110.0
C319—N307—C323	117.0 (14)	C4—C5—H5A	109.4
C319—N307—Zn32	128.0 (12)	C4—C5—H5B	109.4
C319—N307—Zn52	141 (2)	H5A—C5—H5B	108.0
C315—C316—C308	122.9 (12)	C6—C5—C4	111.0 (18)
C317—C316—C308	122.3 (12)	C6—C5—H5A	109.4
C317—C316—C315	114.8 (12)	C6—C5—H5B	109.4
C311—C310—C309	117.5 (10)	C5—C6—H6A	108.8
C311—C310—H310	121.2	C5—C6—H6B	108.8
C309—C310—H310	121.2	H6A—C6—H6B	107.7
C303—C304—H304	120.0	C7—C6—C5	113.9 (18)
C305—C304—C303	119.9 (11)	C7—C6—H6A	108.8
C305—C304—H304	120.0	C7—C6—H6B	108.8
N311—C330—C331	121.9 (15)	C2—C7—H7A	108.8
N311—C330—H330	119.1	C2—C7—H7B	108.8
C331—C330—H330	119.1	C6—C7—C2	113.9 (19)
C303—C302—H302	120.2	C6—C7—H7A	108.8
C301—C302—C303	119.6 (11)	C6—C7—H7B	108.8
C301—C302—H302	120.2	H7A—C7—H7B	107.7
Zn33^iv—N305—C311—C310	−169.3 (11)	C309—C313—C312—N305	3 (3)
Zn33^iv—N305—C312—C313	168.0 (15)	C331—C327—C325—N310	−23.7 (15)
Zn33—N312—C336—C335	−167.7 (8)	C331—C327—C325—N309	159.9 (10)
Zn33—N312—C332—C333	166.4 (13)	C331—C327—C328—C329	−2 (2)
Zn41^iii—N311—C330—C331	−174.4 (10)	C324—N308—C326—N310	2.0 (16)
Zn41^iii—N311—C329—C328	175.1 (16)	C324—N308—C326—C334	−177.5 (9)
Zn41—N301—C305—C304	−168.5 (14)	C324—N309—C325—N310	1.3 (15)
Zn41—N301—C301—C302	166.9 (15)	C324—N309—C325—C327	177.5 (9)
Zn42—N306—C318—C317	175 (2)	C324—C321—C320—C319	−177.4 (16)
Zn42—N306—C314—C315	179.4 (15)	C324—C321—C322—C323	179.7 (17)
Zn42—N307—C323—C322	171.5 (16)	C321—C320—C319—N307	−3 (3)
Zn42—N307—C319—C320	−169.7 (17)	C321—C322—C323—N307	−2 (3)
N303—C307—C309—C310	2.1 (18)	C316—C315—C314—N306	0 (3)
N303—C307—C309—C313	−175.3 (14)	C310—C309—C313—C312	3 (2)
N305—C311—C310—C309	0 (2)	C304—C303—C306—N303	178.6 (13)
N304—C307—C309—C310	−178.9 (12)	C304—C303—C306—N302	−5.3 (19)
N304—C307—C309—C313	3.7 (19)	C304—C303—C302—C301	2 (2)
N304—C308—C316—C315	−173.0 (16)	C330—N311—C329—C328	4 (3)
N304—C308—C316—C317	3 (2)	C330—N311—C329—Zn51^iii	179 (3)
N308—C324—C321—C320	−168.1 (13)	C302—C303—C306—N303	4.6 (19)
N308—C324—C321—C322	18.9 (19)	C302—C303—C306—N302	−179.3 (13)
N312—C336—C335—C334	0.6 (16)	C302—C303—C304—C305	−2 (2)
N312—C332—C333—C334	2 (2)	C332—N312—C336—C335	3.3 (17)
N302—C308—C316—C315	1 (2)	C333—C334—C326—N308	−1.5 (16)
N302—C308—C316—C317	177.4 (16)	C333—C334—C326—N310	178.9 (12)
N309—C324—C321—C320	10.2 (18)	C333—C334—C335—C336	−2.9 (16)
N309—C324—C321—C322	−162.8 (14)	C305—N301—C301—C302	−2 (3)
N311—C329—C328—C327	−2 (3)	C301—N301—C305—C304	2 (3)
C327—C331—C330—N311	−0.7 (19)	C320—C321—C322—C323	6 (3)
C307—N303—C306—N302	−1.0 (18)	C329—N311—C330—C331	−3 (2)
C307—N303—C306—C303	174.8 (11)	C315—C316—C317—C318	−7 (3)
C307—N304—C308—N302	−1.8 (19)	C318—N306—C314—C315	3 (3)
C307—N304—C308—C316	172.1 (12)	C313—C309—C310—C311	−4 (2)
C307—C309—C310—C311	178.6 (12)	C314—N306—C318—C317	−8 (3)
C307—C309—C313—C312	−179.8 (15)	C312—N305—C311—C310	5 (2)
C336—N312—C332—C333	−5 (2)	C322—C321—C320—C319	−4 (3)
N306—C318—C317—C316	10 (4)	C317—C316—C315—C314	2 (3)
C308—N304—C307—N303	0.7 (18)	C328—C327—C325—N310	151.1 (13)
C308—N304—C307—C309	−178.3 (11)	C328—C327—C325—N309	−25.3 (17)
C308—N302—C306—N303	0.1 (18)	C328—C327—C331—C330	2.9 (19)
C308—N302—C306—C303	−175.7 (11)	C323—N307—C319—C320	7 (3)
C308—C316—C315—C314	178.8 (17)	C319—N307—C323—C322	−5 (3)
C308—C316—C317—C318	176 (2)	Zn31^iii—N311—C330—C331	179.9 (10)
C326—N308—C324—N309	1.6 (16)	Zn31^iii—N311—C329—C328	−178.1 (17)
C326—N308—C324—C321	179.8 (9)	Zn31—N301—C305—C304	179.9 (13)
C326—N310—C325—N309	1.8 (15)	Zn31—N301—C301—C302	180.0 (16)
C326—N310—C325—C327	−174.4 (9)	Zn32—N306—C318—C317	175.0 (17)
C326—C334—C335—C336	177.1 (9)	Zn32—N306—C314—C315	−179.4 (17)
C326—C334—C333—C332	−178.4 (13)	Zn32—N307—C323—C322	−176.6 (17)
C335—C334—C326—N308	178.5 (10)	Zn32—N307—C319—C320	177.6 (15)
C335—C334—C326—N310	−1.1 (15)	Zn43—N312—C336—C335	−166.4 (9)
C335—C334—C333—C332	2 (2)	Zn43—N312—C332—C333	165.4 (13)
C311—N305—C312—C313	−7 (3)	Zn52—N306—C318—C317	−167 (2)
C325—N310—C326—N308	−3.6 (16)	Zn52—N306—C314—C315	171 (2)
C325—N310—C326—C334	175.9 (9)	Zn52—N307—C323—C322	−161 (2)
C325—N309—C324—N308	−3.2 (16)	Zn52—N307—C319—C320	148 (2)
C325—N309—C324—C321	178.7 (9)	Zn51^iii—N311—C330—C331	175 (4)
C325—C327—C331—C330	178.0 (11)	Zn51^iii—N311—C329—C328	−175 (3)
C325—C327—C328—C329	−176.7 (16)	Zn51—N301—C305—C304	160 (2)
C303—C304—C305—N301	0 (3)	Zn51—N301—C301—C302	−164 (2)
C303—C302—C301—N301	0 (3)	C2—C3—C4—C5	63 (4)
C306—N303—C307—N304	0.6 (18)	C3—C2—C7—C6	48 (5)
C306—N303—C307—C309	179.6 (11)	C3—C4—C5—C6	−60 (4)
C306—N302—C308—N304	1.3 (18)	C4—C5—C6—C7	51 (5)
C306—N302—C308—C316	−172.3 (12)	C5—C6—C7—C2	−45 (5)
C306—C303—C304—C305	−176.1 (14)	C7—C2—C3—C4	−58 (5)
C306—C303—C302—C301	176.2 (15)

Symmetry codes: (i) x, −y+1, z−1/2; (ii) x−1/2, y−1/2, z; (iii) x+1/2, y+1/2, z; (iv) x, −y+1, z+1/2.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (4_1_96c)

Crystal data

C108H72I18N36Zn9·0.719(C15H16O3)·0.862(C6H12)	F(000) = 18647
Mr = 4994.73	Dx = 1.380 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 78.371 (2) Å	Cell parameters from 9764 reflections
b = 14.9291 (4) Å	θ = 2.6–68.2°
c = 41.6991 (13) Å	µ = 19.43 mm^−1
β = 99.869 (3)°	T = 100 K
V = 48066 (3) Å^3	Block, light yellow
Z = 8	0.3 × 0.11 × 0.08 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	43655 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	28281 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.087
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.2°
profile data from ω–scans	h = −94→69
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −17→17
Tmin = 0.017, Tmax = 0.371	l = −50→48
150110 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.132	H-atom parameters constrained
wR(F^2) = 0.397	w = 1/[σ^2(Fo^2) + (0.1582P)^2 + 2249.6082P] where P = (Fo^2 + 2Fc^2)/3
S = 1.03	(Δ/σ)max = 0.001
43655 reflections	Δρmax = 1.65 e Å^−3
2252 parameters	Δρmin = −2.61 e Å^−3
790 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I306	0.77043 (10)	0.9866 (5)	0.7430 (3)	0.110 (2)	0.53 (2)
I310	0.75249 (15)	0.0189 (5)	0.59973 (18)	0.079 (2)	0.5235
I315	0.63448 (11)	−0.3434 (6)	0.25642 (17)	0.068 (2)	0.47 (3)
I316	0.58597 (7)	−0.4979 (4)	0.2597 (2)	0.062 (2)	0.47 (3)
I305	0.77136 (9)	0.9259 (6)	0.8472 (3)	0.107 (2)	0.53 (2)
I301	0.95065 (8)	0.6102 (4)	1.28047 (16)	0.096 (2)	0.5896
I309	0.80192 (9)	0.1645 (7)	0.59371 (13)	0.100 (3)	0.5235
I302	0.89711 (6)	0.5262 (3)	1.23510 (11)	0.0808 (10)	0.5896
I313	0.62020 (5)	−0.4004 (2)	0.60107 (8)	0.0781 (8)	0.6731
I314	0.56547 (6)	−0.5000 (2)	0.56753 (9)	0.0827 (9)	0.6731
I304	0.91544 (12)	0.5186 (4)	0.9402 (2)	0.115 (3)	0.4522
I303	0.96545 (13)	0.6538 (9)	0.9298 (3)	0.145 (5)	0.4522
I307	0.78279 (4)	0.1081 (2)	0.94066 (7)	0.0846 (10)	0.6302
I308	0.72778 (6)	0.0166 (2)	0.90075 (8)	0.0988 (13)	0.6302
I318	0.44089 (3)	−0.03321 (13)	0.05421 (6)	0.0811 (9)	0.599 (3)
Zn35	0.77115 (12)	0.1603 (7)	0.6039 (2)	0.0591 (8)	0.5235
Zn38	0.60276 (14)	−0.3523 (6)	0.26366 (15)	0.050 (3)	0.47 (3)
Zn33	0.78221 (9)	0.8986 (5)	0.7942 (3)	0.081 (4)	0.53 (2)
Zn31	0.92015 (13)	0.6428 (8)	1.2518 (2)	0.0667 (18)	0.5896
Zn32	0.93540 (16)	0.6531 (7)	0.9421 (3)	0.073 (5)	0.4522
Zn37	0.58860 (11)	−0.3807 (6)	0.57659 (18)	0.0640 (17)	0.6731
Zn34	0.75180 (7)	0.1310 (5)	0.91261 (15)	0.0650 (15)	0.6302
Zn39	0.45251 (5)	−0.0953 (2)	0.10985 (11)	0.0540 (9)	0.599 (3)
N316	0.76688 (18)	0.3058 (7)	0.7620 (3)	0.048 (3)
N304	0.9435 (2)	0.9408 (7)	1.0773 (3)	0.055 (3)
N318	0.7706 (2)	0.2233 (9)	0.6465 (3)	0.059 (3)
N310	0.86962 (19)	1.0278 (8)	0.8067 (3)	0.056 (3)
N330	0.6017 (2)	−0.2858 (8)	0.3061 (3)	0.063 (4)
N302	0.9354 (2)	0.8070 (8)	1.1008 (3)	0.063 (4)
N328	0.5981 (2)	−0.2066 (9)	0.4219 (3)	0.064 (4)
N313	0.7796 (2)	0.7583 (9)	0.7865 (3)	0.062 (4)
N312	0.8085 (2)	0.9134 (9)	0.8028 (4)	0.063 (4)
N334	0.5390 (3)	0.0340 (9)	0.1299 (4)	0.068 (4)
N315	0.7722 (2)	0.4324 (8)	0.7963 (3)	0.058 (4)
N320	0.7064 (2)	0.3903 (10)	0.5010 (3)	0.068 (4)
N308	0.8729 (2)	0.8978 (11)	0.8396 (4)	0.069 (4)
N326	0.6051 (2)	−0.0700 (8)	0.3992 (4)	0.070 (4)
N317	0.7529 (2)	0.1987 (9)	0.8693 (3)	0.071 (5)
N333	0.5671 (2)	−0.0178 (9)	0.1544 (3)	0.067 (4)
N311	0.9097 (2)	1.2583 (10)	0.7749 (4)	0.066 (4)
N306	0.9364 (2)	0.7177 (8)	0.9845 (3)	0.067 (4)
N322	0.7017 (2)	0.5209 (9)	0.4670 (3)	0.060 (4)
C343	0.7676 (2)	0.3441 (8)	0.7907 (3)	0.049 (4)
N303	0.9418 (2)	0.9392 (8)	1.1330 (3)	0.061 (4)
N309	0.8980 (2)	0.9780 (9)	0.8313 (3)	0.061 (4)
N305	0.9487 (3)	1.2612 (10)	1.1123 (5)	0.097 (7)
N314	0.7754 (2)	0.4426 (8)	0.7410 (4)	0.063 (4)
N307	0.9222 (3)	0.7373 (9)	0.9087 (3)	0.070 (4)
N321	0.7306 (2)	0.4747 (10)	0.4909 (3)	0.071 (4)
N325	0.6122 (2)	0.2447 (9)	0.4475 (4)	0.070 (4)
N329	0.5886 (3)	−0.3120 (9)	0.5335 (3)	0.075 (5)
N332	0.5420 (2)	−0.0986 (10)	0.1613 (4)	0.070 (4)
C307	0.9438 (2)	0.9804 (9)	1.1057 (3)	0.054 (4)
C325	0.8863 (2)	1.0370 (10)	0.8137 (4)	0.054 (4)
N319	0.7566 (2)	0.2462 (9)	0.5714 (3)	0.060 (4)
N327	0.6043 (3)	−0.0792 (9)	0.4566 (4)	0.077 (5)
C360	0.7230 (2)	0.4094 (12)	0.5053 (4)	0.059 (4)
C324	0.8897 (2)	0.9120 (10)	0.8437 (4)	0.054 (4)
C342	0.7748 (2)	0.4785 (10)	0.7700 (4)	0.055 (4)
N301	0.9243 (3)	0.7086 (11)	1.2100 (4)	0.100 (7)
N335	0.5781 (3)	0.2738 (11)	0.1004 (4)	0.077 (5)
C306	0.9370 (2)	0.8485 (9)	1.1290 (4)	0.057 (4)
C321	0.9013 (2)	0.8496 (11)	0.8664 (4)	0.059 (4)
C352	0.7716 (2)	0.3113 (10)	0.7064 (4)	0.056 (4)
N331	0.5899 (2)	−0.2654 (11)	0.2302 (4)	0.081 (5)
C334	0.8446 (3)	0.9421 (10)	0.8145 (4)	0.059 (4)
N323	0.6418 (2)	0.3993 (11)	0.4648 (4)	0.078 (5)
C390	0.5972 (3)	−0.3282 (13)	0.3323 (4)	0.071 (5)
H390	0.594243	−0.389767	0.329756	0.085*
C327	0.8943 (2)	1.1157 (9)	0.8010 (4)	0.056 (4)
C316	0.9387 (2)	0.8065 (10)	1.0440 (4)	0.057 (4)
C349	0.7585 (3)	0.2023 (10)	0.8148 (4)	0.061 (5)
H349	0.758694	0.170391	0.795200	0.074*
C393	0.5702 (3)	−0.1480 (11)	0.1885 (5)	0.064 (4)
C385	0.5930 (3)	−0.3108 (10)	0.4785 (4)	0.070 (5)
H385	0.592817	−0.343669	0.458907	0.084*
C314	0.9313 (3)	0.6833 (11)	1.0099 (4)	0.069 (5)
H314	0.926386	0.625028	1.007446	0.083*
C345	0.7627 (2)	0.2939 (9)	0.8172 (3)	0.050 (4)
C396	0.5590 (3)	−0.0859 (11)	0.1667 (4)	0.067 (5)
C354	0.7662 (3)	0.1832 (11)	0.6721 (3)	0.063 (5)
H354	0.762574	0.122513	0.669675	0.076*
C326	0.8630 (3)	0.9573 (10)	0.8210 (3)	0.061 (5)
C363	0.7253 (3)	0.6121 (11)	0.4595 (4)	0.062 (5)
C381	0.5961 (3)	−0.2180 (10)	0.4793 (4)	0.061 (4)
N324	0.7399 (3)	0.7607 (11)	0.4349 (4)	0.083 (5)
C339	0.7774 (2)	0.5761 (9)	0.7748 (4)	0.056 (4)
C384	0.5904 (3)	−0.3515 (10)	0.5054 (4)	0.065 (5)
H384	0.589698	−0.415041	0.504742	0.078*
C361	0.7181 (3)	0.5314 (11)	0.4729 (4)	0.061 (5)
C357	0.7353 (3)	0.3531 (11)	0.5279 (4)	0.059 (4)
C379	0.5997 (3)	−0.1683 (11)	0.4513 (5)	0.065 (5)
C378	0.6060 (3)	−0.0353 (11)	0.4299 (4)	0.063 (5)
C344	0.7717 (2)	0.3551 (11)	0.7375 (4)	0.055 (4)
C353	0.7665 (3)	0.2221 (11)	0.7022 (4)	0.073 (6)
H353	0.763232	0.188866	0.719614	0.087*
C375	0.6082 (3)	0.0623 (11)	0.4344 (4)	0.066 (5)
C370	0.6775 (3)	0.4304 (12)	0.4758 (5)	0.070 (5)
C397	0.5550 (3)	0.0424 (14)	0.1376 (4)	0.075 (6)
C309	0.9465 (3)	1.0796 (10)	1.1080 (4)	0.061 (5)
C399	0.5629 (3)	0.1225 (11)	0.1257 (4)	0.067 (5)
C362	0.6961 (3)	0.4491 (12)	0.4826 (4)	0.069 (5)
C313	0.9457 (3)	1.1305 (11)	1.0805 (4)	0.067 (5)
H313	0.944873	1.103162	1.059725	0.081*
C348	0.7541 (3)	0.1607 (11)	0.8407 (4)	0.065 (5)
H348	0.751743	0.098427	0.838648	0.078*
C328	0.9119 (3)	1.1377 (11)	0.8127 (5)	0.067 (5)
H328	0.918567	1.102796	0.829338	0.081*
C315	0.9324 (3)	0.7228 (11)	1.0395 (4)	0.072 (5)
H315	0.928642	0.691547	1.056949	0.086*
C308	0.9395 (2)	0.8554 (10)	1.0751 (4)	0.054 (4)
C373	0.6137 (4)	0.1868 (13)	0.4719 (6)	0.094 (7)
H373	0.616393	0.208228	0.493666	0.113*
C388	0.6014 (3)	−0.2005 (11)	0.3655 (4)	0.068 (5)
C380	0.6019 (3)	−0.1566 (9)	0.3974 (4)	0.062 (5)
C391	0.5970 (3)	−0.2013 (12)	0.2146 (4)	0.067 (5)
H391	0.609229	−0.195306	0.218426	0.081*
C392	0.5872 (3)	−0.1434 (14)	0.1929 (4)	0.072 (5)
H392	0.592778	−0.100565	0.181314	0.086*
C364	0.7429 (3)	0.6387 (12)	0.4711 (4)	0.079 (7)
H364	0.750062	0.604696	0.487379	0.094*
C331	0.8846 (3)	1.1676 (14)	0.7783 (5)	0.074 (5)
H331	0.872633	1.155802	0.771066	0.089*
C320	0.9179 (3)	0.8383 (11)	0.8638 (4)	0.070 (5)
H320	0.922624	0.867144	0.847026	0.084*
C355	0.7628 (3)	0.2956 (13)	0.5495 (5)	0.079 (6)
H355	0.774915	0.294241	0.549245	0.094*
C319	0.9282 (3)	0.7825 (13)	0.8865 (5)	0.077 (5)
H319	0.940173	0.777665	0.885529	0.093*
C312	0.9463 (3)	1.2244 (13)	1.0838 (5)	0.078 (6)
H312	0.944847	1.260994	1.064933	0.093*
C305	0.9235 (3)	0.6691 (13)	1.1803 (5)	0.076 (5)
H305	0.919808	0.608530	1.178010	0.091*
C340	0.7790 (3)	0.6346 (12)	0.7503 (5)	0.077 (6)
H340	0.780031	0.613318	0.729216	0.093*
C317	0.9438 (3)	0.8527 (12)	1.0178 (4)	0.074 (6)
H317	0.948424	0.911673	1.019790	0.089*
C310	0.9498 (3)	1.1229 (11)	1.1387 (4)	0.074 (6)
H310	0.950886	1.090745	1.158656	0.089*
C406	0.5142 (3)	−0.0507 (13)	0.1358 (7)	0.096 (8)
C341	0.7791 (3)	0.7270 (11)	0.7569 (5)	0.066 (5)
H341	0.778876	0.768055	0.739428	0.080*
C351	0.7759 (3)	0.3589 (12)	0.6807 (4)	0.072 (5)
H351	0.779484	0.419746	0.682771	0.086*
C338	0.7786 (3)	0.6146 (11)	0.8067 (4)	0.079 (6)
H338	0.778409	0.576026	0.824720	0.095*
C389	0.5966 (3)	−0.2920 (12)	0.3609 (5)	0.083 (6)
H389	0.593136	−0.325998	0.377863	0.099*
C332	0.8184 (3)	0.8741 (19)	0.8254 (7)	0.115 (11)
H332	0.813076	0.832751	0.837977	0.138*
C301	0.9307 (4)	0.7944 (14)	1.2125 (5)	0.104 (9)
H301	0.933355	0.820474	1.233511	0.124*
C401	0.5868 (4)	0.2197 (13)	0.1213 (5)	0.091 (7)
H401	0.598507	0.236237	0.129269	0.109*
C330	0.8933 (3)	1.2425 (14)	0.7655 (5)	0.077 (6)
H330	0.886760	1.280890	0.749808	0.093*
C302	0.9334 (4)	0.8420 (13)	1.1877 (4)	0.112 (11)
H302	0.935758	0.904282	1.190201	0.135*
C347	0.7581 (5)	0.2869 (13)	0.8726 (5)	0.124 (12)
H347	0.759381	0.313426	0.893573	0.149*
C400	0.5812 (3)	0.1410 (13)	0.1333 (5)	0.081 (6)
H400	0.589043	0.100925	0.146026	0.097*
C346	0.7615 (3)	0.3377 (11)	0.8475 (4)	0.084 (7)
H346	0.762981	0.400633	0.849843	0.101*
C387	0.6050 (3)	−0.1511 (12)	0.3388 (5)	0.089 (8)
H387	0.607813	−0.089142	0.340242	0.107*
C337	0.7798 (3)	0.7046 (14)	0.8118 (5)	0.092 (7)
H337	0.780923	0.728417	0.833216	0.110*
C335	0.8341 (3)	0.9852 (14)	0.7892 (6)	0.091 (7)
H335	0.839006	1.023866	0.775180	0.109*
C350	0.7746 (4)	0.3118 (12)	0.6511 (4)	0.090 (8)
H350	0.776727	0.344647	0.632650	0.108*
C333	0.8359 (3)	0.8845 (19)	0.8337 (7)	0.116 (11)
H333	0.842183	0.853991	0.852037	0.139*
C311	0.9512 (3)	1.2124 (16)	1.1377 (6)	0.104 (9)
H311	0.954356	1.242333	1.157982	0.125*
C329	0.9193 (3)	1.2120 (13)	0.7994 (5)	0.073 (5)
H329	0.930929	1.229295	0.807572	0.087*
C303	0.9327 (3)	0.7994 (13)	1.1562 (4)	0.078 (6)
O3A	0.5415 (3)	0.4299 (13)	0.6926 (5)	0.061 (5)	0.5208
C356	0.7523 (3)	0.3492 (13)	0.5268 (4)	0.072 (5)
H356	0.757123	0.382326	0.511057	0.087*
C336	0.8165 (3)	0.9722 (18)	0.7842 (7)	0.108 (9)
H336	0.809428	1.004910	0.767354	0.129*
C383	0.5917 (5)	−0.2237 (13)	0.5339 (5)	0.122 (12)
H383	0.592202	−0.194146	0.554197	0.147*
C374	0.6114 (3)	0.0974 (13)	0.4666 (5)	0.082 (6)
H374	0.611939	0.057872	0.484598	0.099*
C386	0.6042 (3)	−0.1991 (12)	0.3100 (5)	0.087 (7)
H386	0.605675	−0.165911	0.291258	0.105*
C398	0.5327 (3)	−0.0354 (16)	0.1423 (6)	0.090 (7)
C304	0.9277 (3)	0.7107 (14)	1.1543 (5)	0.090 (7)
H304	0.927266	0.678932	1.134387	0.109*
C382	0.5943 (4)	−0.1735 (13)	0.5091 (5)	0.098 (8)
H382	0.594859	−0.110074	0.510847	0.118*
C402	0.5618 (4)	0.2605 (17)	0.0951 (5)	0.099 (8)
H402	0.554781	0.304480	0.082703	0.119*
C371	0.6666 (3)	0.4741 (16)	0.4512 (6)	0.095 (8)
H371	0.671221	0.517441	0.438327	0.114*
C403	0.5527 (3)	0.1838 (16)	0.1064 (6)	0.093 (7)
H403	0.540505	0.176706	0.100841	0.112*
C365	0.7494 (4)	0.7166 (13)	0.4579 (5)	0.090 (7)
H365	0.760858	0.736433	0.465997	0.108*
C405	0.5057 (4)	−0.103 (2)	0.1539 (10)	0.149 (15)
H405	0.512184	−0.132244	0.172329	0.179*
C318	0.9414 (4)	0.8032 (11)	0.9880 (4)	0.101 (9)
H318	0.943610	0.833662	0.969112	0.122*
C376	0.6091 (4)	0.1224 (12)	0.4097 (6)	0.101 (9)
H376	0.609021	0.102241	0.388042	0.121*
O2A	0.5229 (3)	0.4704 (15)	0.7924 (5)	0.077 (7)	0.5208
C372	0.6493 (3)	0.455 (2)	0.4453 (7)	0.120 (11)
H372	0.642245	0.482188	0.427001	0.144*
C358	0.7292 (3)	0.3057 (19)	0.5511 (6)	0.115 (11)
H358	0.717376	0.310854	0.553685	0.138*
C323	0.9059 (4)	0.749 (2)	0.9108 (9)	0.131 (12)
H323	0.901152	0.716776	0.926826	0.157*
C322	0.8956 (4)	0.8065 (19)	0.8907 (6)	0.107 (9)
H322	0.884085	0.816295	0.894050	0.128*
C369	0.6689 (3)	0.370 (2)	0.4945 (8)	0.136 (14)
H369	0.675379	0.339147	0.512542	0.163*
C3A	0.5482 (4)	0.3292 (15)	0.7723 (6)	0.055 (7)	0.5208
H3A	0.555560	0.373426	0.783899	0.066*	0.5208
C367	0.7147 (4)	0.6604 (16)	0.4363 (6)	0.102 (8)
H367	0.702968	0.645393	0.428513	0.123*
C377	0.6102 (3)	0.2147 (14)	0.4173 (6)	0.086 (6)
H377	0.609415	0.256734	0.400037	0.103*
C366	0.7235 (4)	0.7383 (18)	0.4248 (6)	0.107 (9)
H366	0.716831	0.775413	0.408817	0.129*
C359	0.7403 (3)	0.250 (2)	0.5711 (6)	0.128 (13)
H359	0.735605	0.211144	0.585519	0.154*
O1A	0.4953 (3)	0.2529 (15)	0.7002 (5)	0.065 (6)	0.5208
H1A	0.500427	0.203647	0.699944	0.097*	0.5208
C7A	0.5321 (4)	0.4537 (15)	0.7423 (6)	0.054 (6)	0.5208
C368	0.6519 (3)	0.357 (2)	0.4868 (8)	0.122 (11)
H368	0.646922	0.313329	0.498730	0.147*
C394	0.5631 (3)	−0.2286 (15)	0.1958 (7)	0.067 (5)	0.69 (2)
H394	0.551693	−0.245582	0.185851	0.081*	0.69 (2)
C4A	0.5344 (3)	0.3557 (16)	0.7492 (7)	0.054 (6)	0.5208
C404	0.4870 (4)	−0.1184 (19)	0.1469 (8)	0.112 (9)
H404	0.481635	−0.156431	0.160493	0.134*
C408	0.4862 (4)	−0.028 (2)	0.1026 (10)	0.141 (14)
H408	0.479543	−0.001992	0.083656	0.169*
C2A	0.5517 (4)	0.2392 (13)	0.7791 (6)	0.055 (7)	0.5208
H2A	0.561377	0.221336	0.794688	0.066*	0.5208
C407	0.5038 (4)	−0.0119 (18)	0.1092 (8)	0.125 (11)
H407	0.508881	0.026434	0.095234	0.150*
C5A	0.5234 (3)	0.2919 (15)	0.7321 (8)	0.069 (8)	0.5208
C395	0.5733 (3)	−0.2840 (16)	0.2184 (7)	0.067 (5)	0.69 (2)
H395	0.568252	−0.336570	0.225684	0.081*	0.69 (2)
C8A	0.5261 (4)	0.5103 (15)	0.7643 (6)	0.067 (8)	0.5208
C12A	0.5358 (4)	0.4903 (16)	0.7136 (7)	0.070 (8)	0.5208
C1A	0.5404 (4)	0.1754 (18)	0.7622 (7)	0.070 (8)	0.5208
H1AA	0.542312	0.113591	0.766835	0.084*	0.5208
C11A	0.5342 (5)	0.5816 (18)	0.7073 (7)	0.084 (10)	0.5208
H11A	0.537118	0.605272	0.687720	0.100*	0.5208
C6A	0.5263 (4)	0.2010 (16)	0.7386 (7)	0.070 (8)	0.5208
H6A	0.518886	0.157138	0.727169	0.083*	0.5208
C15A	0.5463 (6)	0.465 (3)	0.6637 (10)	0.106 (15)	0.5208
H15A	0.540068	0.433324	0.644707	0.159*	0.5208
H15B	0.558827	0.457735	0.664532	0.159*	0.5208
H15C	0.543417	0.529138	0.661839	0.159*	0.5208
I317	0.44088 (3)	−0.03848 (13)	0.15891 (6)	0.0755 (7)	0.599 (3)
C13A	0.5077 (4)	0.3229 (19)	0.7087 (9)	0.081 (10)	0.5208
H13A	0.502208	0.372900	0.718718	0.097*	0.5208
H13B	0.511402	0.345745	0.688692	0.097*	0.5208
C14A	0.5146 (5)	0.525 (3)	0.8135 (9)	0.095 (14)	0.5208
H14A	0.502197	0.529635	0.804814	0.143*	0.5208
H14B	0.519727	0.585511	0.814825	0.143*	0.5208
H14C	0.516249	0.498722	0.835290	0.143*	0.5208
C9A	0.5243 (5)	0.6010 (16)	0.7578 (7)	0.085 (10)	0.5208
H9A	0.519999	0.638913	0.772938	0.103*	0.5208
I418	0.43705 (6)	−0.0116 (2)	0.08354 (10)	0.0932 (14)	0.401 (3)
Zn49	0.44952 (10)	−0.1068 (4)	0.13126 (19)	0.076 (2)	0.401 (3)
I417	0.43977 (6)	−0.0871 (2)	0.18594 (11)	0.1022 (16)	0.401 (3)
N336	0.4779 (3)	−0.0792 (12)	0.1219 (7)	0.117 (10)
I410	0.7551 (2)	0.0211 (7)	0.6080 (2)	0.082 (2)	0.4176
Zn45	0.77200 (15)	0.1646 (8)	0.6038 (3)	0.0591 (8)	0.4176
I409	0.80259 (10)	0.1763 (9)	0.5941 (2)	0.098 (3)	0.4176
I408	0.7213 (2)	0.0315 (10)	0.8885 (4)	0.0988 (13)	0.1972
Zn44	0.7462 (3)	0.1343 (18)	0.9099 (5)	0.0650 (15)	0.1972
I407	0.77555 (17)	0.0882 (10)	0.9402 (3)	0.0846 (10)	0.1972
I404	0.92175 (11)	0.5072 (3)	0.94337 (11)	0.0788 (16)	0.4928
Zn42	0.93808 (14)	0.6560 (6)	0.94128 (18)	0.069 (4)	0.4928
I403	0.96896 (11)	0.6650 (7)	0.93247 (15)	0.0872 (16)	0.4928
I414	0.55838 (17)	−0.4789 (6)	0.5627 (4)	0.157 (6)	0.3269
Zn47	0.5835 (2)	−0.3712 (14)	0.5755 (4)	0.114 (10)	0.3269
I413	0.61427 (15)	−0.3984 (8)	0.6053 (2)	0.143 (5)	0.3269
I402	0.8986 (2)	0.5220 (6)	1.2308 (3)	0.214 (9)	0.3341
Zn41	0.9222 (2)	0.6333 (17)	1.2510 (5)	0.0667 (18)	0.3341
I401	0.95210 (17)	0.6055 (8)	1.2829 (3)	0.112 (5)	0.3341
I416	0.58776 (15)	−0.4861 (6)	0.2658 (3)	0.131 (4)	0.53 (3)
Zn48	0.60567 (18)	−0.3441 (7)	0.2639 (2)	0.087 (4)	0.53 (3)
I415	0.63693 (16)	−0.3336 (9)	0.2580 (2)	0.118 (4)	0.53 (3)
I406	0.77002 (11)	0.9921 (5)	0.75056 (14)	0.0635 (16)	0.47 (2)
Zn43	0.78232 (12)	0.8944 (5)	0.79876 (18)	0.062 (4)	0.47 (2)
I405	0.77284 (10)	0.9107 (4)	0.85383 (13)	0.083 (2)	0.47 (2)
I312	0.60315 (13)	0.4865 (6)	0.4141 (2)	0.083 (3)	0.5
Zn36	0.61535 (4)	0.38147 (16)	0.45877 (8)	0.0794 (8)
I311	0.60776 (13)	0.4120 (5)	0.5140 (2)	0.120 (3)	0.5
I508	0.71116 (19)	0.0559 (8)	0.8675 (5)	0.146 (6)	0.1726
I507	0.7627 (3)	0.0537 (10)	0.9341 (3)	0.177 (9)	0.1726
Zn54	0.7381 (3)	0.1299 (9)	0.8973 (4)	0.077 (6)	0.1726
I502	0.8888 (3)	0.5116 (18)	1.2326 (7)	0.080*	0.0763
I501	0.9389 (3)	0.5839 (14)	1.2701 (5)	0.080*	0.0763
Zn51	0.9092 (6)	0.627 (3)	1.2380 (10)	0.080*	0.0763
C10A	0.5285 (5)	0.6380 (18)	0.7296 (7)	0.087 (11)	0.5208
H10A	0.527457	0.700598	0.725655	0.105*	0.5208
I503	0.9771 (4)	0.700 (2)	0.9315 (8)	0.080*	0.0551
I504	0.9335 (4)	0.508 (2)	0.9444 (7)	0.080*	0.0551
Zn52	0.9467 (4)	0.663 (3)	0.9383 (6)	0.080*	0.0551
I509	0.8105 (5)	0.200 (2)	0.5954 (8)	0.080*	0.059
Zn55	0.7794 (7)	0.178 (4)	0.6011 (6)	0.080*	0.059
I510	0.7668 (4)	0.017 (2)	0.6070 (7)	0.080*	0.059
I412	0.60197 (11)	0.4710 (6)	0.4076 (2)	0.071 (2)	0.5
I411	0.60489 (9)	0.3918 (4)	0.51410 (10)	0.0685 (10)	0.5
C494	0.5641 (5)	−0.181 (3)	0.2162 (10)	0.067 (5)	0.31 (2)
H494	0.552569	−0.170637	0.219182	0.081*	0.31 (2)
C495	0.5755 (5)	−0.231 (3)	0.2392 (10)	0.067 (5)	0.31 (2)
H495	0.573187	−0.239646	0.260578	0.081*	0.31 (2)
C1B	0.6639 (9)	0.446 (3)	0.5752 (15)	0.085 (15)	0.1984
H1B	0.659629	0.504903	0.570403	0.102*	0.1984
C6B	0.6524 (7)	0.375 (4)	0.5737 (15)	0.089 (14)	0.1984
H6B	0.640304	0.385060	0.568082	0.107*	0.1984
C3B	0.6878 (6)	0.346 (4)	0.5904 (16)	0.089 (14)	0.1984
H3B	0.699947	0.335763	0.595914	0.106*	0.1984
C5B	0.6588 (5)	0.289 (3)	0.5804 (15)	0.086 (13)	0.1984
C4B	0.6764 (6)	0.275 (3)	0.5891 (13)	0.089 (12)	0.1984
C2B	0.6816 (8)	0.432 (3)	0.5836 (17)	0.094 (15)	0.1984
H2B	0.689419	0.481055	0.584767	0.113*	0.1984
C7B	0.6833 (6)	0.181 (3)	0.5970 (11)	0.096 (12)	0.1984
C12B	0.6807 (6)	0.138 (3)	0.6251 (11)	0.094 (13)	0.1984
C10B	0.6978 (9)	0.014 (4)	0.6126 (17)	0.101 (15)	0.1984
H10B	0.702853	−0.043622	0.617855	0.121*	0.1984
C13B	0.6466 (9)	0.213 (5)	0.5830 (17)	0.103 (17)	0.1984
H13C	0.653315	0.157359	0.588725	0.124*	0.1984
H13D	0.639843	0.225582	0.600464	0.124*	0.1984
O3B	0.6712 (8)	0.179 (4)	0.6454 (13)	0.090 (14)	0.1984
C9B	0.7005 (8)	0.057 (4)	0.5845 (16)	0.099 (15)	0.1984
H9B	0.707406	0.029694	0.570660	0.119*	0.1984
O1B	0.6351 (10)	0.200 (7)	0.5530 (17)	0.13 (3)	0.1984
H1BA	0.633085	0.145422	0.549946	0.200*	0.1984
C11B	0.6879 (9)	0.054 (3)	0.6329 (14)	0.099 (15)	0.1984
H11B	0.685936	0.024164	0.652139	0.119*	0.1984
C802	0.8623 (7)	0.238 (3)	0.6426 (13)	0.114 (15)	0.3409
H80A	0.852834	0.258439	0.653880	0.137*	0.3409
H80B	0.865631	0.289101	0.629790	0.137*	0.3409
C803	0.8779 (6)	0.208 (4)	0.6678 (13)	0.117 (15)	0.3409
H80C	0.887656	0.192331	0.656543	0.141*	0.3409
H80D	0.881753	0.258414	0.682872	0.141*	0.3409
C804	0.8733 (7)	0.127 (4)	0.6874 (9)	0.116 (15)	0.3409
H80E	0.883757	0.107425	0.702762	0.139*	0.3409
H80F	0.864385	0.144422	0.700331	0.139*	0.3409
C805	0.8666 (7)	0.049 (3)	0.6647 (13)	0.117 (15)	0.3409
H80G	0.876074	0.026364	0.653925	0.141*	0.3409
H80H	0.862882	−0.000695	0.677680	0.141*	0.3409
C806	0.8513 (5)	0.078 (3)	0.6386 (12)	0.102 (14)	0.3409
H80I	0.841207	0.091906	0.649143	0.122*	0.3409
H80J	0.847967	0.027539	0.623271	0.122*	0.3409
C801	0.8558 (7)	0.160 (4)	0.6195 (9)	0.111 (15)	0.3409
H80K	0.845353	0.179487	0.604114	0.134*	0.3409
H80L	0.864822	0.143893	0.606658	0.134*	0.3409
C15B	0.6728 (14)	0.146 (7)	0.6780 (15)	0.09 (2)	0.1984
H15D	0.674057	0.080714	0.678045	0.135*	0.1984
H15E	0.662370	0.161922	0.686902	0.135*	0.1984
H15F	0.682959	0.172883	0.691509	0.135*	0.1984
C8B	0.6931 (7)	0.140 (4)	0.5765 (12)	0.106 (14)	0.1984
O2B	0.6944 (10)	0.190 (4)	0.5493 (15)	0.119 (17)	0.1984
C14B	0.702 (2)	0.149 (10)	0.524 (3)	0.13 (3)	0.1984
H14D	0.692729	0.141749	0.504417	0.199*	0.1984
H14E	0.706579	0.090669	0.530805	0.199*	0.1984
H14F	0.710958	0.187801	0.518150	0.199*	0.1984
C810	0.6880 (6)	0.357 (4)	0.7818 (8)	0.110 (16)	0.3307
H81A	0.696685	0.372044	0.768059	0.132*	0.3307
H81B	0.677403	0.335660	0.767234	0.132*	0.3307
C811	0.6951 (7)	0.281 (3)	0.8051 (11)	0.118 (16)	0.3307
H81C	0.685847	0.259432	0.816837	0.141*	0.3307
H81D	0.698550	0.229619	0.792479	0.141*	0.3307
C812	0.7107 (5)	0.312 (4)	0.8298 (10)	0.117 (16)	0.3307
H81E	0.714575	0.263317	0.845352	0.140*	0.3307
H81F	0.720357	0.327045	0.818238	0.140*	0.3307
C807	0.7063 (7)	0.395 (4)	0.8487 (9)	0.128 (17)	0.3307
H80M	0.697867	0.377740	0.862777	0.153*	0.3307
H80N	0.716916	0.416496	0.862890	0.153*	0.3307
C808	0.6986 (7)	0.471 (3)	0.8261 (12)	0.124 (17)	0.3307
H80O	0.694470	0.518935	0.839303	0.149*	0.3307
H80P	0.707866	0.496900	0.815433	0.149*	0.3307
C809	0.6836 (6)	0.441 (4)	0.7999 (11)	0.115 (16)	0.3307
H80Q	0.680555	0.489673	0.784067	0.138*	0.3307
H80R	0.673422	0.428079	0.810248	0.138*	0.3307
C814	0.6956 (9)	0.702 (5)	0.6777 (15)	0.080*	0.1901
H81G	0.689608	0.665024	0.692107	0.096*	0.1901
H81H	0.707983	0.705420	0.687627	0.096*	0.1901
C813	0.6938 (8)	0.657 (5)	0.6441 (17)	0.080*	0.1901
H81I	0.698294	0.594693	0.646766	0.096*	0.1901
H81J	0.700884	0.689843	0.630460	0.096*	0.1901
C818	0.6748 (9)	0.655 (4)	0.6271 (17)	0.080*	0.1901
H81K	0.673991	0.629037	0.605135	0.096*	0.1901
H81L	0.667955	0.617398	0.639717	0.096*	0.1901
C817	0.6671 (9)	0.751 (5)	0.6242 (14)	0.080*	0.1901
H81M	0.673276	0.787096	0.609951	0.096*	0.1901
H81N	0.654762	0.747707	0.614083	0.096*	0.1901
C816	0.6688 (8)	0.796 (5)	0.6578 (17)	0.080*	0.1901
H81O	0.661654	0.762779	0.671276	0.096*	0.1901
H81P	0.664412	0.857841	0.655074	0.096*	0.1901
C815	0.6878 (9)	0.797 (4)	0.6751 (17)	0.080*	0.1901
H81Q	0.694661	0.835658	0.662964	0.096*	0.1901
H81R	0.688409	0.822057	0.697252	0.096*	0.1901

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I306	0.085 (4)	0.045 (3)	0.183 (6)	−0.009 (2)	−0.020 (4)	0.039 (3)
I310	0.164 (6)	0.0411 (16)	0.038 (3)	0.001 (2)	0.035 (3)	−0.0191 (18)
I315	0.078 (3)	0.080 (3)	0.050 (3)	0.001 (3)	0.0232 (18)	−0.021 (2)
I316	0.090 (5)	0.0284 (17)	0.065 (2)	0.0007 (15)	0.0089 (18)	−0.0099 (15)
I305	0.098 (3)	0.040 (2)	0.185 (6)	0.0029 (17)	0.027 (3)	−0.017 (3)
I301	0.097 (3)	0.061 (3)	0.149 (5)	0.038 (2)	0.071 (3)	0.032 (3)
I309	0.129 (6)	0.130 (5)	0.052 (2)	0.029 (4)	0.045 (3)	−0.014 (2)
I302	0.125 (2)	0.055 (2)	0.0702 (18)	−0.0074 (17)	0.0401 (19)	−0.0277 (14)
I313	0.1137 (18)	0.0603 (13)	0.066 (2)	0.0220 (13)	0.0312 (15)	0.0181 (13)
I314	0.145 (3)	0.0263 (14)	0.0804 (13)	−0.0082 (13)	0.0312 (15)	−0.0049 (10)
I304	0.170 (7)	0.028 (2)	0.135 (5)	0.010 (3)	−0.007 (4)	−0.016 (2)
I303	0.097 (5)	0.183 (9)	0.140 (6)	0.064 (5)	−0.024 (3)	−0.078 (5)
I307	0.129 (3)	0.0789 (19)	0.0593 (10)	0.0277 (17)	0.0539 (17)	0.0270 (11)
I308	0.166 (4)	0.0453 (15)	0.101 (3)	−0.0225 (18)	0.070 (2)	−0.0201 (15)
I318	0.0909 (15)	0.0442 (10)	0.0952 (17)	−0.0098 (10)	−0.0204 (12)	0.0361 (11)
Zn35	0.101 (2)	0.0473 (15)	0.0352 (10)	0.0152 (14)	0.0292 (11)	0.0021 (9)
Zn38	0.082 (5)	0.038 (4)	0.030 (4)	0.002 (3)	0.013 (3)	0.001 (3)
Zn33	0.058 (5)	0.029 (4)	0.151 (9)	−0.009 (3)	0.005 (4)	0.011 (4)
Zn31	0.120 (3)	0.039 (3)	0.0562 (14)	0.028 (3)	0.0582 (19)	0.0150 (16)
Zn32	0.107 (8)	0.030 (6)	0.074 (9)	0.014 (5)	−0.006 (5)	−0.009 (5)
Zn37	0.121 (3)	0.023 (2)	0.049 (3)	0.004 (3)	0.019 (2)	0.004 (2)
Zn34	0.119 (4)	0.0377 (17)	0.052 (2)	0.010 (3)	0.052 (3)	−0.0050 (15)
Zn39	0.073 (2)	0.0234 (16)	0.061 (2)	−0.0004 (15)	−0.0004 (19)	0.0046 (15)
N316	0.082 (9)	0.025 (6)	0.040 (6)	0.009 (6)	0.017 (6)	0.000 (5)
N304	0.100 (10)	0.017 (5)	0.055 (7)	0.006 (6)	0.031 (7)	0.007 (5)
N318	0.096 (10)	0.039 (7)	0.044 (7)	0.012 (7)	0.021 (7)	0.002 (5)
N310	0.073 (9)	0.031 (6)	0.062 (8)	0.003 (6)	0.012 (7)	0.007 (6)
N330	0.114 (12)	0.021 (6)	0.060 (8)	0.009 (7)	0.031 (8)	0.006 (5)
N302	0.110 (12)	0.025 (6)	0.060 (8)	0.016 (7)	0.034 (8)	0.008 (6)
N328	0.106 (11)	0.035 (7)	0.058 (8)	0.026 (7)	0.033 (8)	0.019 (6)
N313	0.092 (10)	0.042 (7)	0.054 (8)	−0.011 (7)	0.022 (7)	0.008 (6)
N312	0.076 (9)	0.031 (7)	0.083 (10)	−0.008 (6)	0.013 (8)	0.000 (7)
N334	0.111 (13)	0.026 (7)	0.065 (9)	0.007 (8)	0.008 (9)	−0.005 (6)
N315	0.114 (11)	0.023 (6)	0.044 (7)	−0.004 (6)	0.032 (7)	−0.004 (5)
N320	0.101 (12)	0.061 (9)	0.048 (7)	0.001 (8)	0.030 (7)	0.023 (7)
N308	0.081 (11)	0.066 (10)	0.059 (8)	−0.016 (8)	0.011 (7)	0.019 (7)
N326	0.117 (13)	0.024 (6)	0.082 (10)	0.007 (7)	0.053 (9)	0.014 (6)
N317	0.145 (14)	0.030 (7)	0.050 (7)	0.006 (8)	0.054 (8)	−0.015 (6)
N333	0.108 (12)	0.043 (8)	0.050 (8)	0.001 (8)	0.014 (7)	−0.008 (6)
N311	0.088 (11)	0.043 (8)	0.077 (10)	−0.009 (8)	0.041 (9)	−0.005 (7)
N306	0.120 (13)	0.018 (6)	0.061 (8)	0.013 (7)	0.010 (8)	0.008 (6)
N322	0.109 (12)	0.036 (7)	0.041 (7)	0.009 (7)	0.031 (7)	0.010 (5)
C343	0.092 (11)	0.016 (6)	0.044 (7)	−0.006 (6)	0.026 (7)	−0.009 (5)
N303	0.120 (12)	0.030 (6)	0.041 (6)	0.019 (7)	0.035 (7)	0.007 (5)
N309	0.097 (11)	0.036 (7)	0.051 (7)	−0.003 (7)	0.014 (7)	0.014 (6)
N305	0.147 (17)	0.030 (8)	0.094 (13)	0.005 (9)	−0.039 (12)	−0.001 (8)
N314	0.102 (11)	0.025 (6)	0.069 (9)	−0.002 (7)	0.035 (8)	0.000 (6)
N307	0.125 (14)	0.041 (8)	0.046 (7)	0.011 (8)	0.019 (8)	−0.004 (6)
N321	0.123 (13)	0.059 (9)	0.040 (7)	−0.012 (9)	0.043 (8)	0.014 (6)
N325	0.097 (12)	0.032 (7)	0.086 (11)	−0.009 (7)	0.024 (9)	0.019 (7)
N329	0.148 (15)	0.038 (7)	0.043 (7)	0.000 (8)	0.028 (8)	−0.003 (6)
N332	0.095 (12)	0.052 (9)	0.061 (9)	0.000 (8)	0.002 (8)	−0.007 (7)
C307	0.116 (13)	0.025 (7)	0.029 (7)	0.002 (7)	0.034 (7)	−0.006 (5)
C325	0.080 (12)	0.037 (8)	0.053 (9)	0.001 (8)	0.037 (8)	0.006 (7)
N319	0.099 (11)	0.057 (8)	0.033 (6)	0.000 (8)	0.037 (7)	0.008 (6)
N327	0.143 (15)	0.031 (7)	0.066 (9)	0.008 (8)	0.042 (9)	0.022 (6)
C360	0.083 (12)	0.059 (10)	0.043 (8)	0.000 (9)	0.032 (8)	0.024 (7)
C324	0.084 (12)	0.037 (8)	0.041 (8)	−0.002 (8)	0.014 (7)	0.006 (6)
C342	0.095 (12)	0.028 (7)	0.047 (8)	−0.003 (7)	0.024 (8)	−0.002 (6)
N301	0.19 (2)	0.058 (10)	0.076 (11)	0.055 (12)	0.089 (12)	0.014 (8)
N335	0.131 (15)	0.057 (10)	0.047 (8)	0.004 (10)	0.023 (9)	−0.008 (7)
C306	0.102 (13)	0.024 (7)	0.055 (9)	0.019 (7)	0.041 (9)	0.016 (6)
C321	0.082 (12)	0.041 (9)	0.053 (9)	0.012 (8)	0.011 (8)	−0.003 (7)
C352	0.088 (12)	0.039 (8)	0.046 (8)	0.014 (8)	0.026 (8)	0.009 (6)
N331	0.094 (12)	0.052 (9)	0.100 (12)	0.001 (8)	0.029 (10)	0.031 (9)
C334	0.093 (13)	0.025 (7)	0.060 (9)	−0.001 (8)	0.011 (8)	0.003 (7)
N323	0.096 (12)	0.058 (10)	0.082 (11)	0.012 (9)	0.019 (9)	0.022 (8)
C390	0.110 (15)	0.056 (11)	0.055 (10)	0.015 (10)	0.037 (10)	0.020 (8)
C327	0.085 (12)	0.025 (7)	0.064 (9)	0.011 (7)	0.030 (8)	0.014 (7)
C316	0.087 (12)	0.035 (8)	0.052 (9)	0.002 (8)	0.021 (8)	0.011 (7)
C349	0.121 (15)	0.026 (7)	0.050 (8)	−0.009 (8)	0.050 (9)	−0.014 (6)
C393	0.078 (12)	0.034 (8)	0.080 (12)	0.001 (8)	0.013 (9)	0.016 (8)
C385	0.134 (17)	0.024 (7)	0.060 (10)	−0.006 (9)	0.037 (10)	0.002 (7)
C314	0.102 (14)	0.033 (8)	0.068 (11)	0.014 (9)	0.007 (10)	−0.014 (8)
C345	0.086 (11)	0.024 (7)	0.040 (7)	0.002 (7)	0.015 (7)	−0.006 (5)
C396	0.093 (14)	0.039 (9)	0.062 (10)	0.001 (9)	−0.004 (9)	−0.002 (8)
C354	0.120 (15)	0.040 (8)	0.036 (7)	0.006 (9)	0.035 (8)	−0.004 (6)
C326	0.117 (15)	0.033 (8)	0.035 (7)	−0.012 (9)	0.020 (8)	0.012 (6)
C363	0.103 (14)	0.045 (9)	0.049 (9)	0.000 (9)	0.047 (9)	0.015 (7)
C381	0.110 (14)	0.022 (7)	0.051 (9)	0.009 (8)	0.013 (8)	0.013 (6)
N324	0.147 (17)	0.054 (10)	0.062 (10)	−0.018 (11)	0.058 (11)	−0.007 (8)
C339	0.095 (12)	0.022 (7)	0.054 (9)	−0.003 (7)	0.018 (8)	−0.003 (6)
C384	0.121 (15)	0.029 (8)	0.048 (9)	0.005 (9)	0.025 (9)	0.003 (6)
C361	0.107 (15)	0.052 (10)	0.036 (8)	−0.001 (10)	0.042 (9)	0.017 (7)
C357	0.092 (13)	0.049 (9)	0.044 (8)	0.004 (8)	0.036 (8)	0.012 (7)
C379	0.091 (13)	0.039 (9)	0.074 (11)	0.011 (8)	0.034 (10)	0.018 (8)
C378	0.104 (14)	0.043 (9)	0.045 (8)	−0.006 (9)	0.022 (8)	0.011 (7)
C344	0.083 (11)	0.040 (8)	0.044 (8)	0.007 (8)	0.013 (7)	0.010 (6)
C353	0.147 (18)	0.042 (9)	0.036 (8)	−0.012 (10)	0.035 (9)	0.006 (7)
C375	0.110 (14)	0.044 (9)	0.048 (9)	0.005 (9)	0.028 (9)	0.021 (7)
C370	0.088 (13)	0.047 (10)	0.082 (12)	0.011 (9)	0.036 (10)	0.027 (9)
C397	0.107 (17)	0.057 (11)	0.056 (10)	0.017 (11)	−0.002 (10)	−0.010 (9)
C309	0.117 (14)	0.032 (8)	0.038 (7)	0.016 (8)	0.021 (8)	0.004 (6)
C399	0.129 (17)	0.038 (8)	0.035 (7)	0.020 (10)	0.022 (9)	0.004 (6)
C362	0.116 (16)	0.048 (10)	0.049 (9)	−0.006 (10)	0.031 (9)	0.014 (8)
C313	0.115 (15)	0.033 (8)	0.055 (9)	−0.013 (9)	0.019 (9)	−0.002 (7)
C348	0.120 (15)	0.032 (8)	0.049 (9)	0.004 (9)	0.031 (9)	−0.006 (7)
C328	0.088 (13)	0.033 (8)	0.080 (12)	−0.008 (8)	0.012 (10)	0.007 (8)
C315	0.133 (17)	0.029 (8)	0.053 (9)	−0.006 (9)	0.020 (10)	0.015 (7)
C308	0.088 (12)	0.035 (8)	0.047 (8)	0.014 (7)	0.029 (8)	0.009 (6)
C373	0.15 (2)	0.041 (10)	0.091 (15)	−0.004 (12)	0.033 (14)	−0.004 (10)
C388	0.118 (15)	0.039 (9)	0.057 (9)	0.018 (9)	0.045 (10)	0.009 (7)
C380	0.122 (15)	0.017 (6)	0.059 (9)	0.016 (8)	0.043 (9)	0.006 (6)
C391	0.083 (12)	0.054 (10)	0.064 (10)	−0.012 (9)	0.009 (9)	0.015 (8)
C392	0.103 (16)	0.069 (12)	0.045 (9)	−0.003 (11)	0.018 (9)	0.016 (8)
C364	0.17 (2)	0.046 (10)	0.029 (7)	−0.014 (12)	0.040 (10)	−0.003 (7)
C331	0.069 (11)	0.080 (14)	0.081 (12)	−0.003 (10)	0.033 (9)	0.032 (11)
C320	0.116 (17)	0.037 (9)	0.057 (10)	0.003 (9)	0.013 (10)	−0.004 (7)
C355	0.096 (14)	0.054 (11)	0.087 (13)	−0.018 (10)	0.020 (11)	0.025 (10)
C319	0.104 (15)	0.049 (10)	0.078 (13)	0.008 (10)	0.017 (11)	0.018 (9)
C312	0.098 (15)	0.048 (10)	0.078 (13)	−0.004 (10)	−0.010 (11)	−0.005 (9)
C305	0.115 (16)	0.051 (10)	0.067 (11)	0.008 (10)	0.033 (11)	0.006 (9)
C340	0.138 (18)	0.037 (9)	0.064 (11)	−0.009 (10)	0.040 (11)	0.010 (8)
C317	0.145 (18)	0.045 (9)	0.038 (8)	−0.009 (10)	0.037 (10)	−0.012 (7)
C310	0.149 (19)	0.034 (8)	0.038 (8)	0.011 (10)	0.014 (9)	−0.004 (7)
C406	0.100 (17)	0.026 (9)	0.16 (2)	−0.001 (10)	0.007 (16)	−0.026 (12)
C341	0.096 (13)	0.034 (8)	0.073 (11)	−0.011 (8)	0.023 (10)	0.003 (8)
C351	0.134 (17)	0.043 (9)	0.048 (9)	−0.003 (10)	0.046 (10)	0.011 (7)
C338	0.16 (2)	0.026 (8)	0.060 (10)	−0.012 (10)	0.045 (12)	−0.002 (7)
C389	0.146 (19)	0.048 (10)	0.065 (11)	0.008 (11)	0.048 (12)	0.032 (9)
C332	0.080 (15)	0.11 (2)	0.15 (2)	−0.029 (14)	0.000 (15)	0.077 (19)
C301	0.22 (3)	0.052 (11)	0.057 (11)	0.026 (14)	0.075 (15)	0.022 (9)
C401	0.15 (2)	0.050 (11)	0.071 (12)	−0.004 (12)	0.014 (13)	0.041 (10)
C330	0.113 (18)	0.067 (12)	0.057 (10)	0.023 (12)	0.032 (11)	0.021 (9)
C302	0.27 (3)	0.043 (10)	0.043 (9)	0.023 (14)	0.091 (15)	0.007 (8)
C347	0.30 (4)	0.039 (10)	0.055 (11)	−0.018 (16)	0.092 (17)	0.002 (8)
C400	0.128 (19)	0.049 (11)	0.057 (10)	−0.005 (11)	−0.007 (11)	−0.001 (8)
C346	0.18 (2)	0.030 (8)	0.053 (10)	−0.010 (11)	0.042 (12)	−0.021 (7)
C387	0.18 (2)	0.038 (9)	0.073 (12)	0.037 (11)	0.083 (14)	0.027 (8)
C337	0.15 (2)	0.049 (11)	0.080 (13)	−0.037 (13)	0.043 (14)	−0.011 (10)
C335	0.106 (17)	0.054 (12)	0.111 (17)	−0.010 (11)	0.010 (13)	0.047 (12)
C350	0.20 (2)	0.043 (9)	0.030 (8)	0.001 (12)	0.045 (11)	0.000 (7)
C333	0.080 (15)	0.13 (2)	0.14 (2)	−0.010 (14)	0.010 (14)	0.095 (19)
C311	0.13 (2)	0.073 (15)	0.094 (17)	0.016 (14)	−0.015 (14)	−0.053 (14)
C329	0.107 (15)	0.050 (10)	0.069 (11)	−0.012 (10)	0.036 (11)	−0.019 (9)
C303	0.133 (17)	0.055 (11)	0.058 (10)	0.034 (11)	0.051 (11)	0.029 (9)
O3A	0.062 (12)	0.039 (11)	0.083 (14)	−0.005 (9)	0.012 (10)	0.026 (10)
C356	0.106 (16)	0.053 (11)	0.063 (11)	−0.010 (10)	0.027 (10)	0.017 (8)
C336	0.054 (12)	0.11 (2)	0.15 (2)	−0.017 (12)	0.007 (13)	0.060 (18)
C383	0.29 (4)	0.039 (10)	0.051 (11)	0.007 (16)	0.070 (17)	0.010 (8)
C374	0.125 (18)	0.051 (11)	0.077 (13)	0.006 (11)	0.032 (12)	0.028 (10)
C386	0.17 (2)	0.036 (9)	0.067 (11)	0.027 (11)	0.050 (13)	0.030 (8)
C398	0.080 (14)	0.068 (14)	0.113 (17)	0.015 (11)	−0.013 (12)	−0.041 (13)
C304	0.16 (2)	0.066 (13)	0.061 (11)	0.009 (13)	0.065 (13)	0.033 (10)
C382	0.18 (3)	0.038 (10)	0.084 (14)	−0.005 (13)	0.046 (15)	0.001 (10)
C402	0.16 (2)	0.087 (17)	0.052 (11)	0.020 (17)	0.025 (14)	0.046 (11)
C371	0.106 (17)	0.093 (17)	0.090 (15)	0.017 (13)	0.029 (12)	0.065 (13)
C403	0.102 (17)	0.080 (16)	0.096 (16)	0.021 (13)	0.009 (13)	0.009 (13)
C365	0.17 (2)	0.054 (11)	0.061 (11)	−0.010 (13)	0.063 (13)	0.021 (9)
C405	0.09 (2)	0.12 (3)	0.21 (4)	0.028 (19)	−0.05 (2)	−0.04 (3)
C318	0.24 (3)	0.024 (8)	0.053 (10)	−0.020 (12)	0.073 (14)	−0.013 (7)
C376	0.20 (3)	0.030 (9)	0.084 (14)	0.006 (12)	0.067 (16)	0.013 (9)
O2A	0.110 (17)	0.047 (12)	0.068 (13)	0.027 (12)	−0.004 (13)	−0.016 (11)
C372	0.087 (17)	0.15 (3)	0.12 (2)	−0.006 (16)	0.017 (14)	0.08 (2)
C358	0.107 (17)	0.13 (2)	0.123 (19)	0.052 (16)	0.067 (15)	0.097 (18)
C323	0.11 (2)	0.10 (2)	0.18 (3)	0.023 (17)	0.04 (2)	0.08 (2)
C322	0.113 (19)	0.11 (2)	0.105 (18)	0.030 (16)	0.040 (15)	0.052 (16)
C369	0.089 (17)	0.13 (2)	0.18 (3)	−0.004 (16)	0.012 (17)	0.12 (2)
C3A	0.078 (17)	0.034 (13)	0.061 (15)	−0.013 (13)	0.038 (13)	−0.002 (12)
C367	0.13 (2)	0.073 (15)	0.116 (19)	0.017 (14)	0.070 (16)	0.043 (14)
C377	0.095 (15)	0.058 (12)	0.115 (18)	0.005 (11)	0.049 (13)	0.025 (12)
C366	0.16 (3)	0.091 (18)	0.080 (15)	0.047 (18)	0.052 (16)	0.059 (14)
C359	0.115 (19)	0.17 (3)	0.115 (19)	0.044 (18)	0.071 (16)	0.11 (2)
O1A	0.070 (14)	0.059 (14)	0.068 (13)	−0.017 (11)	0.018 (11)	−0.017 (11)
C7A	0.056 (14)	0.025 (12)	0.081 (16)	0.014 (11)	0.007 (13)	−0.006 (12)
C368	0.086 (17)	0.12 (2)	0.15 (3)	−0.020 (15)	0.010 (16)	0.09 (2)
C394	0.072 (10)	0.038 (9)	0.093 (13)	−0.009 (8)	0.019 (10)	0.023 (7)
C4A	0.053 (14)	0.038 (13)	0.074 (16)	−0.005 (11)	0.021 (12)	−0.010 (12)
C404	0.11 (2)	0.077 (17)	0.14 (2)	−0.023 (15)	0.009 (18)	−0.009 (17)
C408	0.10 (2)	0.073 (18)	0.23 (4)	−0.018 (16)	−0.03 (2)	0.00 (2)
C2A	0.104 (19)	0.027 (12)	0.045 (13)	−0.004 (13)	0.047 (13)	−0.009 (10)
C407	0.102 (19)	0.079 (17)	0.17 (3)	−0.002 (14)	−0.043 (19)	0.024 (18)
C5A	0.075 (17)	0.042 (14)	0.093 (18)	0.001 (13)	0.023 (15)	−0.003 (14)
C395	0.072 (10)	0.038 (9)	0.093 (13)	−0.009 (8)	0.019 (10)	0.023 (7)
C8A	0.077 (17)	0.034 (13)	0.082 (17)	0.009 (13)	−0.013 (15)	−0.012 (13)
C12A	0.059 (15)	0.048 (15)	0.096 (19)	−0.006 (13)	−0.006 (14)	0.005 (14)
C1A	0.12 (2)	0.044 (15)	0.055 (15)	0.008 (16)	0.035 (15)	0.001 (13)
C11A	0.08 (2)	0.067 (19)	0.10 (2)	−0.003 (17)	−0.013 (17)	0.031 (17)
C6A	0.10 (2)	0.046 (15)	0.073 (18)	−0.002 (15)	0.037 (16)	0.007 (14)
C15A	0.09 (3)	0.09 (3)	0.15 (4)	0.02 (2)	0.06 (3)	0.03 (3)
I317	0.0902 (15)	0.0415 (10)	0.0991 (16)	0.0118 (9)	0.0286 (11)	−0.0077 (10)
C13A	0.08 (2)	0.07 (2)	0.09 (2)	−0.017 (18)	0.008 (18)	0.005 (18)
C14A	0.08 (2)	0.09 (3)	0.12 (3)	0.01 (2)	0.03 (2)	−0.06 (3)
C9A	0.08 (2)	0.056 (18)	0.10 (2)	0.012 (16)	−0.022 (18)	−0.005 (17)
I418	0.144 (3)	0.0418 (17)	0.098 (3)	−0.0038 (18)	0.035 (2)	0.0035 (16)
Zn49	0.131 (6)	0.029 (3)	0.076 (5)	0.004 (3)	0.036 (4)	−0.014 (3)
I417	0.166 (4)	0.0473 (18)	0.111 (3)	−0.004 (2)	0.074 (3)	−0.0333 (19)
N336	0.100 (14)	0.032 (9)	0.19 (2)	0.013 (9)	−0.057 (16)	−0.037 (12)
I410	0.160 (5)	0.048 (3)	0.040 (5)	−0.022 (3)	0.022 (4)	−0.007 (3)
Zn45	0.101 (2)	0.0473 (15)	0.0352 (10)	0.0152 (14)	0.0292 (11)	0.0021 (9)
I409	0.050 (3)	0.124 (6)	0.121 (6)	0.020 (3)	0.013 (3)	−0.012 (4)
I408	0.166 (4)	0.0453 (15)	0.101 (3)	−0.0225 (18)	0.070 (2)	−0.0201 (15)
Zn44	0.119 (4)	0.0377 (17)	0.052 (2)	0.010 (3)	0.052 (3)	−0.0050 (15)
I407	0.129 (3)	0.0789 (19)	0.0593 (10)	0.0277 (17)	0.0539 (17)	0.0270 (11)
I404	0.157 (5)	0.0300 (17)	0.0488 (15)	0.012 (2)	0.017 (2)	−0.0067 (11)
Zn42	0.131 (9)	0.046 (7)	0.030 (4)	0.034 (5)	0.014 (5)	−0.005 (4)
I403	0.089 (3)	0.114 (4)	0.0554 (19)	0.018 (3)	0.002 (2)	−0.019 (2)
I414	0.252 (14)	0.037 (4)	0.216 (12)	−0.020 (5)	0.137 (10)	−0.028 (5)
Zn47	0.26 (3)	0.043 (7)	0.055 (9)	0.015 (11)	0.072 (11)	−0.001 (6)
I413	0.271 (13)	0.130 (6)	0.051 (3)	0.099 (7)	0.094 (6)	0.046 (3)
I402	0.52 (2)	0.035 (3)	0.146 (7)	−0.072 (6)	0.222 (11)	−0.040 (3)
Zn41	0.120 (3)	0.039 (3)	0.0562 (14)	0.028 (3)	0.0582 (19)	0.0150 (16)
I401	0.154 (10)	0.097 (7)	0.091 (5)	0.029 (6)	0.042 (5)	0.079 (5)
I416	0.282 (12)	0.049 (2)	0.069 (3)	−0.039 (4)	0.047 (3)	0.002 (2)
Zn48	0.120 (8)	0.042 (5)	0.111 (8)	0.025 (4)	0.051 (6)	0.031 (4)
I415	0.114 (5)	0.135 (7)	0.108 (5)	0.056 (5)	0.030 (3)	0.001 (4)
I406	0.092 (3)	0.035 (2)	0.071 (2)	0.0004 (17)	0.036 (2)	−0.0036 (15)
Zn43	0.117 (9)	0.032 (5)	0.043 (3)	0.003 (4)	0.036 (4)	−0.011 (3)
I405	0.165 (5)	0.043 (2)	0.059 (3)	−0.002 (2)	0.069 (3)	−0.0159 (15)
I312	0.118 (5)	0.035 (3)	0.104 (4)	−0.001 (2)	0.045 (4)	0.006 (3)
Zn36	0.0953 (19)	0.0409 (13)	0.105 (2)	0.0059 (12)	0.0254 (15)	0.0190 (13)
I311	0.133 (4)	0.044 (3)	0.202 (6)	−0.022 (3)	0.075 (4)	0.000 (3)
I508	0.158 (10)	0.077 (7)	0.235 (16)	−0.051 (7)	0.123 (11)	−0.102 (9)
I507	0.36 (2)	0.124 (10)	0.073 (6)	0.177 (13)	0.097 (10)	0.065 (7)
Zn54	0.163 (19)	0.023 (6)	0.063 (10)	0.000 (9)	0.069 (11)	−0.008 (7)
C10A	0.08 (2)	0.048 (17)	0.11 (2)	−0.008 (16)	−0.031 (19)	0.006 (17)
I412	0.076 (2)	0.028 (3)	0.100 (4)	0.0005 (17)	−0.008 (2)	0.012 (3)
I411	0.106 (3)	0.030 (2)	0.0740 (19)	−0.0166 (18)	0.0281 (16)	0.0036 (12)
C494	0.072 (10)	0.038 (9)	0.093 (13)	−0.009 (8)	0.019 (10)	0.023 (7)
C495	0.072 (10)	0.038 (9)	0.093 (13)	−0.009 (8)	0.019 (10)	0.023 (7)
C1B	0.13 (3)	0.07 (2)	0.07 (3)	−0.01 (2)	0.05 (3)	−0.04 (3)
C6B	0.12 (3)	0.08 (2)	0.08 (3)	−0.018 (19)	0.05 (3)	−0.04 (2)
C3B	0.12 (3)	0.07 (2)	0.09 (3)	−0.02 (2)	0.05 (3)	−0.03 (2)
C5B	0.12 (3)	0.07 (2)	0.09 (3)	−0.022 (18)	0.06 (2)	−0.04 (2)
C4B	0.12 (3)	0.07 (2)	0.09 (3)	−0.022 (18)	0.06 (2)	−0.05 (2)
C2B	0.13 (3)	0.08 (2)	0.09 (3)	−0.02 (2)	0.05 (3)	−0.03 (3)
C7B	0.11 (3)	0.07 (2)	0.12 (3)	−0.025 (19)	0.05 (2)	−0.048 (19)
C12B	0.11 (3)	0.06 (2)	0.12 (3)	−0.03 (2)	0.04 (2)	−0.047 (19)
C10B	0.12 (4)	0.07 (3)	0.12 (3)	−0.02 (2)	0.04 (3)	−0.06 (2)
C13B	0.13 (3)	0.09 (3)	0.10 (4)	−0.03 (3)	0.07 (3)	−0.02 (3)
O3B	0.11 (3)	0.06 (3)	0.11 (3)	−0.03 (2)	0.04 (3)	−0.04 (2)
C9B	0.11 (4)	0.07 (3)	0.12 (3)	−0.03 (2)	0.04 (3)	−0.06 (2)
O1B	0.15 (4)	0.16 (6)	0.11 (4)	−0.09 (4)	0.06 (3)	0.00 (4)
C11B	0.12 (4)	0.07 (2)	0.12 (3)	−0.02 (2)	0.04 (3)	−0.05 (2)
C802	0.09 (3)	0.16 (4)	0.09 (3)	0.01 (3)	0.02 (2)	−0.01 (2)
C803	0.09 (3)	0.17 (4)	0.10 (3)	0.01 (3)	0.02 (2)	−0.01 (3)
C804	0.09 (3)	0.16 (4)	0.09 (3)	0.02 (3)	0.02 (2)	−0.01 (2)
C805	0.10 (3)	0.16 (4)	0.09 (3)	0.02 (3)	0.02 (2)	−0.02 (2)
C806	0.07 (3)	0.15 (4)	0.08 (3)	0.02 (2)	0.039 (18)	−0.02 (2)
C801	0.09 (3)	0.16 (4)	0.09 (3)	0.01 (3)	0.03 (2)	−0.01 (2)
C15B	0.09 (5)	0.07 (5)	0.11 (3)	−0.04 (4)	0.03 (3)	−0.04 (3)
C8B	0.12 (3)	0.08 (2)	0.13 (3)	−0.02 (2)	0.06 (2)	−0.05 (2)
O2B	0.14 (4)	0.09 (3)	0.14 (3)	0.00 (3)	0.08 (3)	−0.04 (2)
C14B	0.17 (7)	0.11 (6)	0.14 (5)	0.01 (6)	0.08 (5)	−0.05 (4)
C810	0.08 (3)	0.22 (5)	0.045 (19)	0.00 (3)	0.034 (17)	0.01 (2)
C811	0.08 (3)	0.22 (5)	0.06 (2)	0.00 (3)	0.037 (18)	0.02 (2)
C812	0.08 (3)	0.23 (5)	0.05 (2)	−0.01 (3)	0.038 (17)	0.02 (2)
C807	0.10 (3)	0.23 (5)	0.06 (2)	−0.01 (3)	0.040 (19)	0.01 (2)
C808	0.10 (3)	0.21 (5)	0.07 (2)	−0.02 (3)	0.04 (2)	0.00 (2)
C809	0.07 (3)	0.22 (5)	0.07 (2)	−0.01 (3)	0.044 (17)	0.00 (2)

Geometric parameters (Å, º)

I306—Zn33	2.542 (9)	C338—H338	0.9500
I310—Zn35	2.556 (9)	C338—C337	1.36 (3)
I315—Zn38	2.559 (10)	C389—H389	0.9500
I316—Zn38	2.531 (9)	C332—H332	0.9500
I305—Zn33	2.534 (10)	C332—C333	1.37 (3)
I301—Zn31	2.530 (8)	C301—H301	0.9500
I309—Zn35	2.520 (9)	C301—C302	1.30 (2)
I302—Zn31	2.518 (9)	C401—H401	0.9500
I313—Zn37	2.528 (8)	C401—C400	1.38 (3)
I314—Zn37	2.524 (6)	C330—H330	0.9500
I304—Zn32	2.538 (11)	C302—H302	0.9500
I303—Zn32	2.495 (12)	C302—C303	1.45 (3)
I307—Zn34	2.532 (6)	C347—H347	0.9500
I308—Zn34	2.527 (7)	C347—C346	1.35 (2)
I318—Zn39	2.519 (4)	C400—H400	0.9500
Zn35—N318	2.016 (15)	C346—H346	0.9500
Zn35—N319	2.063 (17)	C387—H387	0.9500
Zn38—N330	2.045 (15)	C387—C386	1.39 (3)
Zn38—N331	2.041 (18)	C337—H337	0.9500
Zn33—N313	2.124 (16)	C335—H335	0.9500
Zn33—N312	2.044 (16)	C335—C336	1.37 (3)
Zn31—N311^i	2.01 (2)	C350—H350	0.9500
Zn31—N301	2.075 (17)	C333—H333	0.9500
Zn32—N306	2.003 (18)	C311—H311	0.9500
Zn32—N307	2.026 (19)	C329—H329	0.9500
Zn37—N329	2.067 (15)	C303—C304	1.38 (3)
Zn37—N335^ii	2.12 (2)	O3A—C12A	1.38 (3)
Zn34—N317	2.084 (14)	O3A—C15A	1.428 (19)
Zn34—N324^iii	2.154 (18)	C356—H356	0.9500
Zn39—N305^iv	2.167 (16)	C336—H336	0.9500
Zn39—I317	2.525 (5)	C383—H383	0.9500
Zn39—N336	1.99 (2)	C383—C382	1.32 (3)
N316—C343	1.318 (17)	C374—H374	0.9500
N316—C344	1.361 (19)	C386—H386	0.9500
N304—C307	1.320 (18)	C304—H304	0.9500
N304—C308	1.31 (2)	C382—H382	0.9500
N318—C354	1.32 (2)	C402—H402	0.9500
N318—C350	1.36 (2)	C402—C403	1.47 (3)
N318—Zn45	2.005 (16)	C371—H371	0.9500
N318—Zn55	2.23 (5)	C371—C372	1.37 (3)
N310—C325	1.29 (2)	C403—H403	0.9500
N310—C326	1.356 (19)	C365—H365	0.9500
N330—C390	1.36 (2)	C405—H405	0.9500
N330—C386	1.32 (2)	C405—C404	1.46 (4)
N330—Zn48	2.036 (16)	C318—H318	0.9500
N302—C306	1.32 (2)	C376—H376	0.9500
N302—C308	1.373 (19)	C376—C377	1.41 (3)
N328—C379	1.34 (2)	O2A—C8A	1.38 (3)
N328—C380	1.34 (2)	O2A—C14A	1.438 (18)
N313—C341	1.32 (2)	C372—H372	0.9500
N313—C337	1.32 (2)	C358—H358	0.9500
N313—Zn43	2.098 (16)	C358—C359	1.38 (3)
N312—C332	1.26 (3)	C323—H323	0.9500
N312—C336	1.39 (3)	C323—C322	1.36 (3)
N312—Zn43	2.051 (17)	C322—H322	0.9500
N334—C397	1.25 (3)	C369—H369	0.9500
N334—C398	1.29 (3)	C369—C368	1.33 (3)
N315—C343	1.375 (17)	C3A—H3A	0.9500
N315—C342	1.343 (19)	C3A—C4A	1.378 (19)
N320—C360	1.32 (2)	C3A—C2A	1.390 (18)
N320—C362	1.34 (2)	C367—H367	0.9500
N308—C324	1.31 (2)	C367—C366	1.47 (3)
N308—C326	1.34 (2)	C377—H377	0.9500
N326—C378	1.37 (2)	C366—H366	0.9500
N326—C380	1.32 (2)	C359—H359	0.9500
N317—C348	1.337 (19)	O1A—H1A	0.8400
N317—C347	1.38 (2)	O1A—C13A	1.432 (18)
N317—Zn44	2.09 (2)	C7A—C4A	1.50 (3)
N317—Zn54	2.05 (2)	C7A—C8A	1.388 (19)
N333—C396	1.35 (2)	C7A—C12A	1.392 (19)
N333—C397	1.40 (2)	C368—H368	0.9500
N311—C330	1.30 (3)	C394—H394	0.9500
N311—C329	1.35 (3)	C394—C395	1.40 (3)
N311—Zn41^v	2.21 (3)	C4A—C5A	1.395 (18)
N311—Zn51^v	2.30 (5)	C404—H404	0.9500
N306—C314	1.30 (2)	C404—N336	1.30 (4)
N306—C318	1.34 (2)	C408—H408	0.9500
N306—Zn42	2.048 (16)	C408—C407	1.38 (4)
N306—Zn52	2.36 (4)	C408—N336	1.35 (4)
N322—C361	1.27 (2)	C2A—H2A	0.9500
N322—C362	1.37 (2)	C2A—C1A	1.406 (19)
C343—C345	1.44 (2)	C407—H407	0.9500
N303—C307	1.327 (18)	C5A—C6A	1.396 (18)
N303—C306	1.41 (2)	C5A—C13A	1.506 (19)
N309—C325	1.39 (2)	C395—H395	0.9500
N309—C324	1.33 (2)	C8A—C9A	1.384 (19)
N305—C312	1.29 (3)	C12A—C11A	1.389 (19)
N305—C311	1.27 (3)	C1A—H1AA	0.9500
N305—Zn49^vi	2.119 (17)	C1A—C6A	1.396 (19)
N314—C342	1.33 (2)	C11A—H11A	0.9500
N314—C344	1.34 (2)	C11A—C10A	1.386 (19)
N307—C319	1.30 (2)	C6A—H6A	0.9500
N307—C323	1.30 (3)	C15A—H15A	0.9800
N307—Zn42	2.072 (18)	C15A—H15B	0.9800
N307—Zn52	2.37 (4)	C15A—H15C	0.9800
N321—C360	1.34 (2)	C13A—H13A	0.9900
N321—C361	1.41 (3)	C13A—H13B	0.9900
N325—C373	1.33 (3)	C14A—H14A	0.9800
N325—C377	1.32 (3)	C14A—H14B	0.9800
N325—Zn36	2.101 (15)	C14A—H14C	0.9800
N329—C384	1.34 (2)	C9A—H9A	0.9500
N329—C383	1.34 (2)	C9A—C10A	1.390 (19)
N329—Zn47	2.061 (19)	I418—Zn49	2.503 (8)
N332—C396	1.32 (3)	Zn49—I417	2.543 (8)
N332—C398	1.36 (3)	Zn49—N336	2.36 (3)
C307—C309	1.50 (2)	I410—Zn45	2.540 (11)
C325—C327	1.47 (2)	Zn45—I409	2.504 (11)
N319—C355	1.33 (2)	I408—Zn44	2.525 (17)
N319—C359	1.27 (3)	Zn44—I407	2.524 (17)
N319—Zn45	2.052 (18)	I404—Zn42	2.572 (10)
N319—Zn55	2.24 (5)	Zn42—I403	2.513 (11)
N327—C379	1.39 (2)	I414—Zn47	2.526 (15)
N327—C378	1.32 (2)	Zn47—I413	2.549 (15)
C360—C357	1.49 (2)	I402—Zn41	2.518 (14)
C324—C321	1.52 (2)	Zn41—I401	2.524 (14)
C342—C339	1.48 (2)	I416—Zn48	2.550 (10)
N301—C305	1.36 (2)	Zn48—I415	2.508 (10)
N301—C301	1.37 (3)	I406—Zn43	2.536 (9)
N301—Zn41	2.08 (2)	Zn43—I405	2.544 (7)
N301—Zn51	2.17 (5)	I312—Zn36	2.495 (8)
N335—C401	1.30 (3)	Zn36—I311	2.517 (8)
N335—C402	1.28 (3)	Zn36—I412	2.582 (7)
N335—Zn47^vii	1.88 (3)	Zn36—I411	2.582 (6)
C306—C303	1.44 (2)	I508—Zn54	2.51 (3)
C321—C320	1.33 (3)	I507—Zn54	2.52 (3)
C321—C322	1.34 (3)	I502—Zn51	2.34 (5)
C352—C344	1.45 (2)	I501—Zn51	2.56 (5)
C352—C353	1.39 (2)	C10A—H10A	0.9500
C352—C351	1.37 (2)	I503—Zn52	2.511 (19)
N331—C391	1.33 (2)	I504—Zn52	2.562 (18)
N331—C395	1.34 (3)	I509—Zn55	2.51 (7)
N331—Zn48	2.072 (19)	Zn55—I510	2.63 (7)
N331—C495	1.35 (3)	C494—H494	0.9500
C334—C326	1.43 (3)	C494—C495	1.40 (4)
C334—C335	1.38 (3)	C495—H495	0.9500
C334—C333	1.43 (3)	C1B—H1B	0.9500
N323—C372	1.37 (3)	C1B—C6B	1.385 (19)
N323—C368	1.27 (3)	C1B—C2B	1.387 (19)
N323—Zn36	2.059 (18)	C6B—H6B	0.9500
C390—H390	0.9500	C6B—C5B	1.384 (18)
C390—C389	1.32 (3)	C3B—H3B	0.9500
C327—C328	1.42 (3)	C3B—C4B	1.386 (19)
C327—C331	1.35 (2)	C3B—C2B	1.387 (19)
C316—C315	1.35 (2)	C5B—C4B	1.386 (19)
C316—C308	1.48 (2)	C5B—C13B	1.50 (2)
C316—C317	1.40 (2)	C4B—C7B	1.51 (7)
C349—H349	0.9500	C2B—H2B	0.9500
C349—C345	1.41 (2)	C7B—C12B	1.383 (18)
C349—C348	1.34 (2)	C7B—C8B	1.389 (19)
C393—C396	1.48 (2)	C12B—O3B	1.370 (18)
C393—C392	1.32 (3)	C12B—C11B	1.387 (18)
C393—C394	1.38 (3)	C10B—H10B	0.9500
C393—C494	1.42 (3)	C10B—C9B	1.384 (19)
C385—H385	0.9500	C10B—C11B	1.385 (19)
C385—C381	1.41 (2)	C13B—H13C	0.9900
C385—C384	1.32 (2)	C13B—H13D	0.9900
C314—H314	0.9500	C13B—O1B	1.42 (2)
C314—C315	1.36 (2)	O3B—C15B	1.43 (2)
C345—C346	1.44 (2)	C9B—H9B	0.9500
C354—H354	0.9500	C9B—C8B	1.383 (19)
C354—C353	1.38 (2)	O1B—H1BA	0.8400
C363—C361	1.48 (2)	C11B—H11B	0.9500
C363—C364	1.44 (3)	C802—H80A	0.9900
C363—C367	1.37 (3)	C802—H80B	0.9900
C381—C379	1.45 (2)	C802—C803	1.542 (13)
C381—C382	1.44 (3)	C802—C801	1.540 (13)
N324—C365	1.29 (3)	C803—H80C	0.9900
N324—C366	1.33 (3)	C803—H80D	0.9900
N324—Zn44^viii	1.99 (3)	C803—C804	1.540 (13)
N324—Zn54^viii	2.25 (2)	C804—H80E	0.9900
C339—C340	1.37 (2)	C804—H80F	0.9900
C339—C338	1.43 (2)	C804—C805	1.539 (13)
C384—H384	0.9500	C805—H80G	0.9900
C357—C356	1.34 (3)	C805—H80H	0.9900
C357—C358	1.35 (2)	C805—C806	1.537 (13)
C378—C375	1.48 (2)	C806—H80I	0.9900
C353—H353	0.9500	C806—H80J	0.9900
C375—C374	1.42 (3)	C806—C801	1.538 (13)
C375—C376	1.38 (2)	C801—H80K	0.9900
C370—C362	1.46 (3)	C801—H80L	0.9900
C370—C371	1.38 (3)	C15B—H15D	0.9800
C370—C369	1.43 (3)	C15B—H15E	0.9800
C397—C399	1.47 (3)	C15B—H15F	0.9800
C309—C313	1.37 (2)	C8B—O2B	1.37 (2)
C309—C310	1.42 (2)	O2B—C14B	1.43 (2)
C399—C400	1.44 (3)	C14B—H14D	0.9800
C399—C403	1.38 (3)	C14B—H14E	0.9800
C313—H313	0.9500	C14B—H14F	0.9800
C313—C312	1.41 (2)	C810—H81A	0.9900
C348—H348	0.9500	C810—H81B	0.9900
C328—H328	0.9500	C810—C811	1.536 (13)
C328—C329	1.41 (3)	C810—C809	1.531 (13)
C315—H315	0.9500	C811—H81C	0.9900
C373—H373	0.9500	C811—H81D	0.9900
C373—C374	1.36 (3)	C811—C812	1.535 (13)
C388—C380	1.48 (2)	C812—H81E	0.9900
C388—C389	1.42 (3)	C812—H81F	0.9900
C388—C387	1.41 (2)	C812—C807	1.533 (13)
C391—H391	0.9500	C807—H80M	0.9900
C391—C392	1.38 (3)	C807—H80N	0.9900
C392—H392	0.9500	C807—C808	1.531 (13)
C364—H364	0.9500	C808—H80O	0.9900
C364—C365	1.42 (2)	C808—H80P	0.9900
C331—H331	0.9500	C808—C809	1.530 (13)
C331—C330	1.46 (3)	C809—H80Q	0.9900
C320—H320	0.9500	C809—H80R	0.9900
C320—C319	1.41 (3)	C814—H81G	0.9900
C355—H355	0.9500	C814—H81H	0.9900
C355—C356	1.39 (3)	C814—C813	1.539 (14)
C319—H319	0.9500	C814—C815	1.537 (13)
C312—H312	0.9500	C813—H81I	0.9900
C305—H305	0.9500	C813—H81J	0.9900
C305—C304	1.34 (2)	C813—C818	1.540 (13)
C340—H340	0.9500	C818—H81K	0.9900
C340—C341	1.41 (2)	C818—H81L	0.9900
C317—H317	0.9500	C818—C817	1.539 (13)
C317—C318	1.43 (2)	C817—H81M	0.9900
C310—H310	0.9500	C817—H81N	0.9900
C310—C311	1.34 (3)	C817—C816	1.537 (14)
C406—C398	1.45 (3)	C816—H81O	0.9900
C406—C405	1.34 (5)	C816—H81P	0.9900
C406—C407	1.39 (4)	C816—C815	1.539 (14)
C341—H341	0.9500	C815—H81Q	0.9900
C351—H351	0.9500	C815—H81R	0.9900
C351—C350	1.41 (2)
I309—Zn35—I310	124.2 (5)	C357—C356—C355	118.4 (17)
N318—Zn35—I310	110.3 (6)	C357—C356—H356	120.8
N318—Zn35—I309	107.6 (6)	C355—C356—H356	120.8
N318—Zn35—N319	101.3 (6)	N312—C336—H336	118.7
N319—Zn35—I310	102.9 (6)	C335—C336—N312	123 (2)
N319—Zn35—I309	108.1 (6)	C335—C336—H336	118.7
I316—Zn38—I315	122.8 (4)	N329—C383—H383	116.5
N330—Zn38—I315	105.2 (6)	C382—C383—N329	127.0 (19)
N330—Zn38—I316	112.0 (6)	C382—C383—H383	116.5
N331—Zn38—I315	105.3 (7)	C375—C374—H374	119.5
N331—Zn38—I316	108.1 (6)	C373—C374—C375	120.9 (18)
N331—Zn38—N330	101.2 (7)	C373—C374—H374	119.5
I305—Zn33—I306	121.4 (4)	N330—C386—C387	126.8 (15)
N313—Zn33—I306	111.8 (5)	N330—C386—H386	116.6
N313—Zn33—I305	104.6 (5)	C387—C386—H386	116.6
N312—Zn33—I306	107.6 (6)	N334—C398—N332	126 (2)
N312—Zn33—I305	108.0 (6)	N334—C398—C406	119 (2)
N312—Zn33—N313	101.7 (7)	N332—C398—C406	115 (2)
I302—Zn31—I301	124.9 (5)	C305—C304—C303	120 (2)
N311^i—Zn31—I301	110.0 (7)	C305—C304—H304	119.9
N311^i—Zn31—I302	108.0 (7)	C303—C304—H304	119.9
N311^i—Zn31—N301	101.0 (8)	C381—C382—H382	121.1
N301—Zn31—I301	102.5 (7)	C383—C382—C381	117.7 (18)
N301—Zn31—I302	107.7 (8)	C383—C382—H382	121.1
I303—Zn32—I304	126.5 (6)	N335—C402—H402	116.8
N306—Zn32—I304	109.8 (7)	N335—C402—C403	126 (2)
N306—Zn32—I303	106.5 (7)	C403—C402—H402	116.8
N306—Zn32—N307	104.3 (7)	C370—C371—H371	119.8
N307—Zn32—I304	103.2 (7)	C372—C371—C370	120.4 (19)
N307—Zn32—I303	104.3 (7)	C372—C371—H371	119.8
I314—Zn37—I313	127.3 (4)	C399—C403—C402	116 (2)
N329—Zn37—I313	105.2 (7)	C399—C403—H403	122.0
N329—Zn37—I314	109.1 (6)	C402—C403—H403	122.0
N329—Zn37—N335^ii	95.3 (7)	N324—C365—C364	121 (2)
N335^ii—Zn37—I313	109.4 (6)	N324—C365—H365	119.7
N335^ii—Zn37—I314	105.9 (7)	C364—C365—H365	119.7
I308—Zn34—I307	128.5 (3)	C406—C405—H405	118.1
N317—Zn34—I307	106.8 (6)	C406—C405—C404	124 (3)
N317—Zn34—I308	107.3 (5)	C404—C405—H405	118.1
N317—Zn34—N324^iii	95.4 (6)	N306—C318—C317	125.4 (16)
N324^iii—Zn34—I307	110.7 (7)	N306—C318—H318	117.3
N324^iii—Zn34—I308	103.3 (7)	C317—C318—H318	117.3
I318—Zn39—I317	119.92 (16)	C375—C376—H376	120.8
N305^iv—Zn39—I318	112.1 (5)	C375—C376—C377	118 (2)
N305^iv—Zn39—I317	102.8 (7)	C377—C376—H376	120.8
N336—Zn39—I318	112.2 (9)	C8A—O2A—C14A	116 (2)
N336—Zn39—N305^iv	104.3 (8)	N323—C372—H372	118.9
N336—Zn39—I317	103.9 (8)	C371—C372—N323	122 (2)
C343—N316—C344	118.1 (13)	C371—C372—H372	118.9
C308—N304—C307	117.7 (13)	C357—C358—H358	120.6
C354—N318—Zn35	123.3 (12)	C357—C358—C359	119 (2)
C354—N318—C350	114.2 (13)	C359—C358—H358	120.6
C354—N318—Zn45	125.6 (12)	N307—C323—H323	119.2
C354—N318—Zn55	135.2 (19)	N307—C323—C322	122 (2)
C350—N318—Zn35	122.5 (11)	C322—C323—H323	119.2
C350—N318—Zn45	120.1 (11)	C321—C322—C323	122 (2)
C350—N318—Zn55	108.6 (19)	C321—C322—H322	119.0
C325—N310—C326	115.5 (14)	C323—C322—H322	119.0
C390—N330—Zn38	121.6 (12)	C370—C369—H369	119.9
C390—N330—Zn48	126.5 (12)	C368—C369—C370	120 (2)
C386—N330—Zn38	123.8 (12)	C368—C369—H369	119.9
C386—N330—C390	114.4 (15)	C4A—C3A—H3A	119.3
C386—N330—Zn48	119.0 (12)	C4A—C3A—C2A	121 (3)
C306—N302—C308	116.8 (14)	C2A—C3A—H3A	119.3
C379—N328—C380	117.5 (15)	C363—C367—H367	123.6
C341—N313—Zn33	118.6 (11)	C363—C367—C366	113 (2)
C341—N313—C337	121.9 (16)	C366—C367—H367	123.6
C341—N313—Zn43	123.9 (11)	N325—C377—C376	122.6 (19)
C337—N313—Zn33	119.3 (13)	N325—C377—H377	118.7
C337—N313—Zn43	113.9 (12)	C376—C377—H377	118.7
C332—N312—Zn33	123.5 (15)	N324—C366—C367	125 (2)
C332—N312—C336	116.0 (18)	N324—C366—H366	117.4
C332—N312—Zn43	118.3 (14)	C367—C366—H366	117.4
C336—N312—Zn33	120.4 (14)	N319—C359—C358	123.9 (18)
C336—N312—Zn43	125.4 (14)	N319—C359—H359	118.0
C397—N334—C398	114.4 (18)	C358—C359—H359	118.0
C342—N315—C343	115.0 (12)	C13A—O1A—H1A	109.5
C360—N320—C362	114.9 (15)	C8A—C7A—C4A	121 (2)
C324—N308—C326	115.9 (15)	C8A—C7A—C12A	118.3 (19)
C380—N326—C378	113.9 (14)	C12A—C7A—C4A	121 (2)
C348—N317—Zn34	125.9 (11)	N323—C368—C369	126 (2)
C348—N317—C347	115.3 (14)	N323—C368—H368	117.1
C348—N317—Zn44	126.4 (14)	C369—C368—H368	117.1
C348—N317—Zn54	115.4 (13)	C393—C394—H394	121.5
C347—N317—Zn34	115.6 (11)	C393—C394—C395	117 (2)
C347—N317—Zn44	118.0 (13)	C395—C394—H394	121.5
C347—N317—Zn54	127.4 (12)	C3A—C4A—C7A	118 (2)
C396—N333—C397	110.5 (18)	C3A—C4A—C5A	120 (2)
Zn31^v—N311—Zn41^v	2.4 (6)	C5A—C4A—C7A	122 (2)
Zn31^v—N311—Zn51^v	25.1 (11)	C405—C404—H404	120.5
C330—N311—Zn31^v	116.7 (14)	N336—C404—C405	119 (3)
C330—N311—C329	122.0 (16)	N336—C404—H404	120.5
C330—N311—Zn41^v	119.1 (14)	C407—C408—H408	118.6
C330—N311—Zn51^v	91.7 (16)	N336—C408—H408	118.6
C329—N311—Zn31^v	121.3 (14)	N336—C408—C407	123 (3)
C329—N311—Zn41^v	118.9 (14)	C3A—C2A—H2A	121.0
C329—N311—Zn51^v	146.3 (18)	C3A—C2A—C1A	118 (3)
Zn41^v—N311—Zn51^v	27.4 (11)	C1A—C2A—H2A	121.0
C314—N306—Zn32	123.8 (12)	C406—C407—H407	119.5
C314—N306—C318	114.5 (15)	C408—C407—C406	121 (3)
C314—N306—Zn42	127.9 (12)	C408—C407—H407	119.5
C314—N306—Zn52	136.4 (14)	C4A—C5A—C6A	120 (2)
C318—N306—Zn32	121.5 (12)	C4A—C5A—C13A	119 (2)
C318—N306—Zn42	117.6 (12)	C6A—C5A—C13A	121 (2)
C318—N306—Zn52	106.5 (14)	N331—C395—C394	122 (2)
C361—N322—C362	113.8 (16)	N331—C395—H395	118.9
N316—C343—N315	122.8 (13)	C394—C395—H395	118.9
N316—C343—C345	119.7 (12)	O2A—C8A—C7A	115.6 (19)
N315—C343—C345	117.5 (12)	O2A—C8A—C9A	124 (2)
C307—N303—C306	114.4 (12)	C9A—C8A—C7A	120.1 (18)
C324—N309—C325	110.4 (15)	O3A—C12A—C7A	115.2 (19)
C312—N305—Zn39^vi	112.1 (15)	O3A—C12A—C11A	123 (2)
C312—N305—Zn49^vi	136.7 (15)	C11A—C12A—C7A	121.6 (18)
C311—N305—Zn39^vi	127.1 (15)	C2A—C1A—H1AA	119.3
C311—N305—C312	119.9 (18)	C6A—C1A—C2A	121 (3)
C311—N305—Zn49^vi	103.4 (14)	C6A—C1A—H1AA	119.3
C342—N314—C344	116.6 (14)	C12A—C11A—H11A	120.1
C319—N307—Zn32	127.3 (16)	C10A—C11A—C12A	119.8 (16)
C319—N307—C323	117.3 (19)	C10A—C11A—H11A	120.1
C319—N307—Zn42	121.3 (16)	C5A—C6A—C1A	119 (2)
C319—N307—Zn52	104.6 (17)	C5A—C6A—H6A	120.5
C323—N307—Zn32	115.4 (15)	C1A—C6A—H6A	120.5
C323—N307—Zn42	121.3 (15)	O3A—C15A—H15A	109.5
C323—N307—Zn52	137.8 (16)	O3A—C15A—H15B	109.5
C360—N321—C361	110.5 (16)	O3A—C15A—H15C	109.5
C373—N325—Zn36	118.0 (15)	H15A—C15A—H15B	109.5
C377—N325—C373	119.5 (17)	H15A—C15A—H15C	109.5
C377—N325—Zn36	122.3 (12)	H15B—C15A—H15C	109.5
C384—N329—Zn37	123.8 (12)	O1A—C13A—C5A	113 (2)
C384—N329—Zn47	128.2 (13)	O1A—C13A—H13A	109.1
C383—N329—Zn37	120.3 (12)	O1A—C13A—H13B	109.1
C383—N329—C384	113.4 (15)	C5A—C13A—H13A	109.1
C383—N329—Zn47	118.3 (13)	C5A—C13A—H13B	109.1
C396—N332—C398	114.8 (18)	H13A—C13A—H13B	107.8
N304—C307—N303	125.1 (13)	O2A—C14A—H14A	109.5
N304—C307—C309	118.7 (12)	O2A—C14A—H14B	109.5
N303—C307—C309	116.2 (12)	O2A—C14A—H14C	109.5
N310—C325—N309	127.0 (14)	H14A—C14A—H14B	109.5
N310—C325—C327	118.7 (15)	H14A—C14A—H14C	109.5
N309—C325—C327	114.2 (15)	H14B—C14A—H14C	109.5
C355—N319—Zn35	124.7 (15)	C8A—C9A—H9A	119.2
C355—N319—Zn45	122.5 (15)	C8A—C9A—C10A	121.5 (16)
C355—N319—Zn55	106 (2)	C10A—C9A—H9A	119.2
C359—N319—Zn35	118.0 (12)	N305^iv—Zn49—I418	104.4 (6)
C359—N319—C355	117.2 (17)	N305^iv—Zn49—I417	116.6 (7)
C359—N319—Zn45	120.3 (12)	N305^iv—Zn49—N336	94.0 (8)
C359—N319—Zn55	136.5 (18)	I418—Zn49—I417	120.7 (3)
C378—N327—C379	113.8 (16)	N336—Zn49—I418	91.2 (7)
N320—C360—N321	127.4 (16)	N336—Zn49—I417	124.4 (7)
N320—C360—C357	118.9 (14)	C404—N336—Zn39	123 (2)
N321—C360—C357	113.7 (17)	C404—N336—C408	119 (3)
N308—C324—N309	128.0 (15)	C404—N336—Zn49	101 (2)
N308—C324—C321	117.6 (14)	C408—N336—Zn39	119 (2)
N309—C324—C321	114.3 (16)	C408—N336—Zn49	139.2 (19)
N315—C342—C339	115.5 (13)	N318—Zn45—N319	102.1 (7)
N314—C342—N315	124.9 (13)	N318—Zn45—I410	101.4 (6)
N314—C342—C339	119.6 (14)	N318—Zn45—I409	108.2 (7)
C305—N301—Zn31	124.6 (15)	N319—Zn45—I410	106.9 (7)
C305—N301—C301	115.6 (16)	N319—Zn45—I409	109.0 (7)
C305—N301—Zn41	121.0 (16)	I409—Zn45—I410	126.5 (7)
C305—N301—Zn51	108 (2)	N317—Zn44—I408	106.2 (10)
C301—N301—Zn31	119.1 (14)	N317—Zn44—I407	101.4 (9)
C301—N301—Zn41	121.5 (16)	N324^iii—Zn44—N317	100.4 (12)
C301—N301—Zn51	135.0 (16)	N324^iii—Zn44—I408	114.8 (12)
C401—N335—Zn37^vii	125.4 (18)	N324^iii—Zn44—I407	103.8 (12)
C401—N335—Zn47^vii	135 (2)	I407—Zn44—I408	126.5 (12)
C402—N335—Zn37^vii	119.8 (15)	N306—Zn42—N307	101.1 (6)
C402—N335—C401	115 (2)	N306—Zn42—I404	104.6 (6)
C402—N335—Zn47^vii	110.0 (15)	N306—Zn42—I403	108.2 (7)
N302—C306—N303	122.7 (13)	N307—Zn42—I404	106.3 (7)
N302—C306—C303	117.8 (16)	N307—Zn42—I403	111.1 (7)
N303—C306—C303	119.3 (15)	I403—Zn42—I404	123.2 (5)
C320—C321—C324	121.3 (16)	N329—Zn47—I414	110.6 (9)
C320—C321—C322	117.1 (18)	N329—Zn47—I413	100.1 (8)
C322—C321—C324	121.6 (19)	N335^ii—Zn47—N329	103.5 (11)
C353—C352—C344	119.8 (14)	N335^ii—Zn47—I414	111.6 (10)
C351—C352—C344	120.0 (16)	N335^ii—Zn47—I413	98.0 (10)
C351—C352—C353	120.1 (15)	I414—Zn47—I413	129.7 (9)
C391—N331—Zn38	126.2 (15)	N311^i—Zn41—I402	106.3 (10)
C391—N331—C395	115.5 (18)	N311^i—Zn41—I401	109.0 (10)
C391—N331—Zn48	119.1 (15)	N301—Zn41—N311^i	94.5 (11)
C391—N331—C495	107 (2)	N301—Zn41—I402	103.9 (9)
C395—N331—Zn38	117.1 (13)	N301—Zn41—I401	108.8 (10)
C495—N331—Zn48	117.4 (17)	I402—Zn41—I401	128.9 (11)
C335—C334—C326	121.3 (16)	N330—Zn48—N331	100.4 (8)
C335—C334—C333	115.2 (19)	N330—Zn48—I416	99.3 (8)
C333—C334—C326	123.5 (16)	N330—Zn48—I415	110.8 (7)
C372—N323—Zn36	122.3 (15)	N331—Zn48—I416	102.9 (7)
C368—N323—C372	117 (2)	N331—Zn48—I415	112.3 (7)
C368—N323—Zn36	121.1 (15)	I415—Zn48—I416	127.3 (5)
N330—C390—H390	116.9	N313—Zn43—I406	110.8 (5)
C389—C390—N330	126.1 (18)	N313—Zn43—I405	106.2 (5)
C389—C390—H390	116.9	N312—Zn43—N313	102.3 (7)
C328—C327—C325	120.7 (15)	N312—Zn43—I406	103.0 (6)
C331—C327—C325	118.9 (17)	N312—Zn43—I405	110.9 (6)
C331—C327—C328	120.4 (15)	I406—Zn43—I405	122.0 (4)
C315—C316—C308	122.4 (15)	N325—Zn36—I312	115.3 (5)
C315—C316—C317	119.8 (16)	N325—Zn36—I311	110.1 (5)
C317—C316—C308	117.6 (14)	N325—Zn36—I412	107.6 (5)
C345—C349—H349	120.5	N325—Zn36—I411	102.4 (5)
C348—C349—H349	120.5	N323—Zn36—N325	103.4 (7)
C348—C349—C345	119.0 (13)	N323—Zn36—I312	105.0 (5)
C392—C393—C396	122.5 (17)	N323—Zn36—I311	104.8 (6)
C392—C393—C394	117.0 (18)	N323—Zn36—I412	106.9 (5)
C392—C393—C494	112 (2)	N323—Zn36—I411	110.5 (5)
C394—C393—C396	117.2 (19)	I312—Zn36—I311	116.6 (3)
C494—C393—C396	118 (2)	I411—Zn36—I412	124.1 (3)
C381—C385—H385	120.6	N317—Zn54—N324^iii	93.3 (9)
C384—C385—H385	120.6	N317—Zn54—I508	116.5 (10)
C384—C385—C381	118.9 (16)	N317—Zn54—I507	97.1 (12)
N306—C314—H314	116.9	N324^iii—Zn54—I508	127.6 (11)
N306—C314—C315	126.2 (17)	N324^iii—Zn54—I507	87.3 (10)
C315—C314—H314	116.9	I508—Zn54—I507	126.4 (9)
C343—C345—C346	120.3 (13)	N311^i—Zn51—I502	123.1 (19)
C349—C345—C343	122.9 (12)	N311^i—Zn51—I501	85.8 (15)
C349—C345—C346	116.7 (14)	N301—Zn51—N311^i	89.8 (17)
N333—C396—C393	115.7 (18)	N301—Zn51—I502	142 (2)
N332—C396—N333	124.9 (17)	N301—Zn51—I501	83.8 (16)
N332—C396—C393	119.4 (17)	I502—Zn51—I501	114.2 (19)
N318—C354—H354	117.3	C11A—C10A—C9A	118.6 (16)
N318—C354—C353	125.4 (16)	C11A—C10A—H10A	120.7
C353—C354—H354	117.3	C9A—C10A—H10A	120.7
N310—C326—C334	119.2 (15)	N306—Zn52—N307	84.5 (15)
N308—C326—N310	122.8 (18)	N306—Zn52—I503	118.6 (14)
N308—C326—C334	117.8 (14)	N306—Zn52—I504	91.8 (12)
C364—C363—C361	120.2 (17)	N307—Zn52—I503	122.6 (14)
C367—C363—C361	118 (2)	N307—Zn52—I504	99.8 (13)
C367—C363—C364	121.5 (17)	I503—Zn52—I504	128 (2)
C385—C381—C379	122.6 (16)	N318—Zn55—N319	90 (2)
C385—C381—C382	115.8 (15)	N318—Zn55—I509	119 (2)
C382—C381—C379	121.5 (15)	N318—Zn55—I510	91.3 (19)
Zn34^viii—N324—Zn54^viii	30.2 (7)	N319—Zn55—I509	126 (2)
C365—N324—Zn34^viii	117.9 (17)	N319—Zn55—I510	101 (2)
C365—N324—C366	120.8 (18)	I509—Zn55—I510	121 (3)
C365—N324—Zn44^viii	129.0 (19)	C393—C494—H494	120.7
C365—N324—Zn54^viii	148.0 (19)	C495—C494—C393	119 (3)
C366—N324—Zn34^viii	121.3 (16)	C495—C494—H494	120.7
C366—N324—Zn44^viii	110.2 (17)	N331—C495—C494	118 (3)
C366—N324—Zn54^viii	91.1 (16)	N331—C495—H495	120.8
C340—C339—C342	123.7 (15)	C494—C495—H495	120.8
C340—C339—C338	115.9 (15)	C6B—C1B—H1B	119.7
C338—C339—C342	120.4 (14)	C6B—C1B—C2B	120.7 (18)
N329—C384—H384	116.8	C2B—C1B—H1B	119.7
C385—C384—N329	126.4 (16)	C1B—C6B—H6B	120.4
C385—C384—H384	116.8	C5B—C6B—C1B	119.3 (18)
N322—C361—N321	127.9 (15)	C5B—C6B—H6B	120.4
N322—C361—C363	117.5 (17)	C4B—C3B—H3B	119.9
N321—C361—C363	114.6 (18)	C4B—C3B—C2B	120.2 (18)
C356—C357—C360	122.9 (14)	C2B—C3B—H3B	119.9
C356—C357—C358	118.6 (18)	C6B—C5B—C4B	120.6 (17)
C358—C357—C360	118.5 (18)	C6B—C5B—C13B	120 (3)
N328—C379—N327	122.6 (15)	C4B—C5B—C13B	119 (3)
N328—C379—C381	121.1 (16)	C3B—C4B—C7B	120 (2)
N327—C379—C381	116.2 (16)	C5B—C4B—C3B	119.7 (18)
N326—C378—C375	118.6 (13)	C5B—C4B—C7B	120 (2)
N327—C378—N326	127.1 (16)	C1B—C2B—H2B	120.2
N327—C378—C375	114.1 (15)	C3B—C2B—C1B	119.5 (18)
N316—C344—C352	117.9 (14)	C3B—C2B—H2B	120.2
N314—C344—N316	121.9 (14)	C12B—C7B—C4B	121 (2)
N314—C344—C352	120.1 (14)	C12B—C7B—C8B	119 (2)
C352—C353—H353	120.8	C8B—C7B—C4B	119 (2)
C354—C353—C352	118.4 (14)	C7B—C12B—C11B	121 (2)
C354—C353—H353	120.8	O3B—C12B—C7B	119 (3)
C374—C375—C378	118.9 (14)	O3B—C12B—C11B	120 (3)
C376—C375—C378	124.5 (17)	C9B—C10B—H10B	120.1
C376—C375—C374	116.3 (18)	C9B—C10B—C11B	120 (3)
C371—C370—C362	121.5 (17)	C11B—C10B—H10B	120.1
C371—C370—C369	114 (2)	C5B—C13B—H13C	109.5
C369—C370—C362	124.1 (18)	C5B—C13B—H13D	109.5
N334—C397—N333	129 (2)	H13C—C13B—H13D	108.1
N334—C397—C399	117.3 (18)	O1B—C13B—C5B	111 (3)
N333—C397—C399	114 (2)	O1B—C13B—H13C	109.5
C313—C309—C307	120.8 (14)	O1B—C13B—H13D	109.5
C313—C309—C310	118.6 (15)	C12B—O3B—C15B	118 (6)
C310—C309—C307	120.6 (13)	C10B—C9B—H9B	119.7
C400—C399—C397	122.8 (17)	C8B—C9B—C10B	121 (2)
C403—C399—C397	120 (2)	C8B—C9B—H9B	119.7
C403—C399—C400	117.3 (19)	C13B—O1B—H1BA	109.5
N320—C362—N322	124.9 (19)	C12B—C11B—H11B	120.2
N320—C362—C370	117.9 (15)	C10B—C11B—C12B	120 (2)
N322—C362—C370	116.9 (17)	C10B—C11B—H11B	120.2
C309—C313—H313	120.8	H80A—C802—H80B	108.1
C309—C313—C312	118.4 (17)	C803—C802—H80A	109.6
C312—C313—H313	120.8	C803—C802—H80B	109.6
N317—C348—C349	126.2 (15)	C801—C802—H80A	109.6
N317—C348—H348	116.9	C801—C802—H80B	109.6
C349—C348—H348	116.9	C801—C802—C803	110 (2)
C327—C328—H328	120.3	C802—C803—H80C	109.4
C329—C328—C327	119.3 (18)	C802—C803—H80D	109.4
C329—C328—H328	120.3	H80C—C803—H80D	108.0
C316—C315—C314	119.4 (17)	C804—C803—C802	111.1 (19)
C316—C315—H315	120.3	C804—C803—H80C	109.4
C314—C315—H315	120.3	C804—C803—H80D	109.4
N304—C308—N302	122.7 (14)	C803—C804—H80E	109.5
N304—C308—C316	120.9 (13)	C803—C804—H80F	109.5
N302—C308—C316	116.4 (14)	H80E—C804—H80F	108.1
N325—C373—H373	119.3	C805—C804—C803	110.9 (19)
N325—C373—C374	121 (2)	C805—C804—H80E	109.5
C374—C373—H373	119.3	C805—C804—H80F	109.5
C389—C388—C380	121.1 (15)	C804—C805—H80G	109.3
C387—C388—C380	120.2 (16)	C804—C805—H80H	109.3
C387—C388—C389	118.7 (17)	H80G—C805—H80H	108.0
N328—C380—C388	117.7 (14)	C806—C805—C804	111.6 (19)
N326—C380—N328	124.5 (15)	C806—C805—H80G	109.3
N326—C380—C388	117.7 (14)	C806—C805—H80H	109.3
N331—C391—H391	118.7	C805—C806—H80I	109.3
N331—C391—C392	122.6 (19)	C805—C806—H80J	109.3
C392—C391—H391	118.7	C805—C806—C801	111.8 (19)
C393—C392—C391	119.5 (18)	H80I—C806—H80J	107.9
C393—C392—H392	120.3	C801—C806—H80I	109.3
C391—C392—H392	120.3	C801—C806—H80J	109.3
C363—C364—H364	120.5	C802—C801—H80K	109.4
C365—C364—C363	119 (2)	C802—C801—H80L	109.4
C365—C364—H364	120.5	C806—C801—C802	111.2 (19)
C327—C331—H331	121.5	C806—C801—H80K	109.4
C327—C331—C330	116.9 (19)	C806—C801—H80L	109.4
C330—C331—H331	121.5	H80K—C801—H80L	108.0
C321—C320—H320	120.8	O3B—C15B—H15D	109.5
C321—C320—C319	118.4 (19)	O3B—C15B—H15E	109.5
C319—C320—H320	120.8	O3B—C15B—H15F	109.5
N319—C355—H355	118.6	H15D—C15B—H15E	109.5
N319—C355—C356	123 (2)	H15D—C15B—H15F	109.5
C356—C355—H355	118.6	H15E—C15B—H15F	109.5
N307—C319—C320	123 (2)	C9B—C8B—C7B	120 (2)
N307—C319—H319	118.3	O2B—C8B—C7B	113 (4)
C320—C319—H319	118.3	O2B—C8B—C9B	127 (4)
N305—C312—C313	120.7 (19)	C8B—O2B—C14B	119 (9)
N305—C312—H312	119.6	O2B—C14B—H14D	109.5
C313—C312—H312	119.6	O2B—C14B—H14E	109.5
N301—C305—H305	118.1	O2B—C14B—H14F	109.5
C304—C305—N301	124 (2)	H14D—C14B—H14E	109.5
C304—C305—H305	118.1	H14D—C14B—H14F	109.5
C339—C340—H340	120.7	H14E—C14B—H14F	109.5
C339—C340—C341	118.5 (17)	H81A—C810—H81B	107.9
C341—C340—H340	120.7	C811—C810—H81A	109.2
C316—C317—H317	122.9	C811—C810—H81B	109.2
C316—C317—C318	114.1 (16)	C809—C810—H81A	109.2
C318—C317—H317	122.9	C809—C810—H81B	109.2
C309—C310—H310	122.3	C809—C810—C811	112 (2)
C311—C310—C309	115.3 (17)	C810—C811—H81C	109.5
C311—C310—H310	122.3	C810—C811—H81D	109.5
C405—C406—C398	124 (3)	H81C—C811—H81D	108.0
C405—C406—C407	115 (3)	C812—C811—C810	110.9 (18)
C407—C406—C398	121 (3)	C812—C811—H81C	109.5
N313—C341—C340	122.1 (16)	C812—C811—H81D	109.5
N313—C341—H341	119.0	C811—C812—H81E	109.3
C340—C341—H341	119.0	C811—C812—H81F	109.3
C352—C351—H351	122.1	H81E—C812—H81F	108.0
C352—C351—C350	115.7 (17)	C807—C812—C811	111.6 (18)
C350—C351—H351	122.1	C807—C812—H81E	109.3
C339—C338—H338	118.9	C807—C812—H81F	109.3
C337—C338—C339	122.2 (17)	C812—C807—H80M	109.1
C337—C338—H338	118.9	C812—C807—H80N	109.1
C390—C389—C388	118.0 (16)	H80M—C807—H80N	107.9
C390—C389—H389	121.0	C808—C807—C812	112.4 (19)
C388—C389—H389	121.0	C808—C807—H80M	109.1
N312—C332—H332	116.6	C808—C807—H80N	109.1
N312—C332—C333	127 (2)	C807—C808—H80O	109.0
C333—C332—H332	116.6	C807—C808—H80P	109.0
N301—C301—H301	118.1	H80O—C808—H80P	107.8
C302—C301—N301	124 (2)	C809—C808—C807	112.9 (19)
C302—C301—H301	118.1	C809—C808—H80O	109.0
N335—C401—H401	116.2	C809—C808—H80P	109.0
N335—C401—C400	128 (2)	C810—C809—H80Q	109.0
C400—C401—H401	116.2	C810—C809—H80R	109.0
N311—C330—C331	121.9 (18)	C808—C809—C810	112.9 (18)
N311—C330—H330	119.0	C808—C809—H80Q	109.0
C331—C330—H330	119.0	C808—C809—H80R	109.0
C301—C302—H302	120.3	H80Q—C809—H80R	107.8
C301—C302—C303	119 (2)	H81G—C814—H81H	108.0
C303—C302—H302	120.3	C813—C814—H81G	109.3
N317—C347—H347	118.3	C813—C814—H81H	109.3
C346—C347—N317	123.5 (17)	C815—C814—H81G	109.3
C346—C347—H347	118.3	C815—C814—H81H	109.3
C399—C400—H400	121.6	C815—C814—C813	112 (2)
C401—C400—C399	117 (2)	C814—C813—H81I	109.5
C401—C400—H400	121.6	C814—C813—H81J	109.5
C345—C346—H346	120.8	C814—C813—C818	111 (2)
C347—C346—C345	118.4 (16)	H81I—C813—H81J	108.1
C347—C346—H346	120.8	C818—C813—H81I	109.5
C388—C387—H387	122.3	C818—C813—H81J	109.5
C386—C387—C388	115.4 (17)	C813—C818—H81K	109.4
C386—C387—H387	122.3	C813—C818—H81L	109.4
N313—C337—C338	118.7 (19)	H81K—C818—H81L	108.0
N313—C337—H337	120.6	C817—C818—C813	111 (2)
C338—C337—H337	120.6	C817—C818—H81K	109.4
C334—C335—H335	119.8	C817—C818—H81L	109.4
C336—C335—C334	120.3 (19)	C818—C817—H81M	109.4
C336—C335—H335	119.8	C818—C817—H81N	109.4
N318—C350—C351	125.9 (15)	H81M—C817—H81N	108.0
N318—C350—H350	117.0	C816—C817—C818	111 (2)
C351—C350—H350	117.0	C816—C817—H81M	109.4
C334—C333—H333	120.6	C816—C817—H81N	109.4
C332—C333—C334	119 (2)	C817—C816—H81O	109.4
C332—C333—H333	120.6	C817—C816—H81P	109.4
N305—C311—C310	126.5 (19)	C817—C816—C815	111 (2)
N305—C311—H311	116.7	H81O—C816—H81P	108.0
C310—C311—H311	116.7	C815—C816—H81O	109.4
N311—C329—C328	119 (2)	C815—C816—H81P	109.4
N311—C329—H329	120.5	C814—C815—C816	111 (2)
C328—C329—H329	120.5	C814—C815—H81Q	109.4
C306—C303—C302	120.8 (18)	C814—C815—H81R	109.4
C304—C303—C306	123.0 (17)	C816—C815—H81Q	109.4
C304—C303—C302	116.1 (16)	C816—C815—H81R	109.4
C12A—O3A—C15A	117 (3)	H81Q—C815—H81R	108.0
Zn35—N318—C354—C353	176.5 (17)	C355—N319—C359—C358	−5 (5)
Zn35—N318—C350—C351	−175 (2)	C319—N307—C323—C322	0 (5)
Zn35—N319—C355—C356	176.6 (16)	C312—N305—C311—C310	−8 (5)
Zn35—N319—C359—C358	178 (3)	C305—N301—C301—C302	11 (4)
Zn38—N330—C390—C389	177.9 (19)	C340—C339—C338—C337	5 (3)
Zn38—N330—C386—C387	−175 (2)	C317—C316—C315—C314	1 (3)
Zn38—N331—C391—C392	−178.0 (15)	C317—C316—C308—N304	5 (3)
Zn38—N331—C395—C394	179 (2)	C317—C316—C308—N302	−176.2 (18)
Zn33—N313—C341—C340	174.0 (16)	C310—C309—C313—C312	−7 (3)
Zn33—N313—C337—C338	−178.5 (18)	C406—C405—C404—N336	0 (5)
Zn33—N312—C332—C333	−176 (3)	C341—N313—C337—C338	−4 (4)
Zn33—N312—C336—C335	179 (2)	C351—C352—C344—N316	178.3 (17)
Zn31^v—N311—C330—C331	174.5 (15)	C351—C352—C344—N314	2 (3)
Zn31^v—N311—C329—C328	−173.9 (13)	C351—C352—C353—C354	1 (3)
Zn31—N301—C305—C304	−174.0 (19)	C338—C339—C340—C341	−9 (3)
Zn31—N301—C301—C302	−178 (2)	C389—C388—C380—N328	1 (3)
Zn32—N306—C314—C315	177.3 (17)	C389—C388—C380—N326	−175 (2)
Zn32—N306—C318—C317	−175 (2)	C389—C388—C387—C386	−3 (3)
Zn32—N307—C319—C320	178.7 (14)	C332—N312—C336—C335	2 (4)
Zn32—N307—C323—C322	177 (3)	C301—N301—C305—C304	−4 (4)
Zn37—N329—C384—C385	−169.5 (18)	C301—C302—C303—C306	−175 (3)
Zn37—N329—C383—C382	171 (3)	C301—C302—C303—C304	5 (4)
Zn37^vii—N335—C401—C400	−168.3 (19)	C401—N335—C402—C403	−10 (4)
Zn37^vii—N335—C402—C403	172.1 (18)	C330—N311—C329—C328	7 (3)
Zn34—N317—C348—C349	−164.8 (17)	C302—C303—C304—C305	1 (4)
Zn34—N317—C347—C346	172 (3)	C347—N317—C348—C349	−6 (4)
Zn34^viii—N324—C365—C364	−173.3 (13)	C400—C399—C403—C402	2 (3)
Zn34^viii—N324—C366—C367	174.0 (19)	C387—C388—C380—N328	179 (2)
Zn39^vi—N305—C312—C313	172.0 (17)	C387—C388—C380—N326	3 (3)
Zn39^vi—N305—C311—C310	−176 (2)	C387—C388—C389—C390	6 (3)
N316—C343—C345—C349	6 (3)	C337—N313—C341—C340	0 (3)
N316—C343—C345—C346	−172.4 (18)	C335—C334—C326—N310	14 (3)
N304—C307—C309—C313	11 (3)	C335—C334—C326—N308	−162.7 (19)
N304—C307—C309—C310	−169.3 (19)	C335—C334—C333—C332	2 (4)
N318—C354—C353—C352	1 (3)	C350—N318—C354—C353	−4 (3)
N310—C325—C327—C328	168.4 (16)	C333—C334—C326—N310	−165 (2)
N310—C325—C327—C331	−11 (2)	C333—C334—C326—N308	19 (3)
N330—C390—C389—C388	−1 (4)	C333—C334—C335—C336	1 (4)
N302—C306—C303—C302	−177 (2)	C311—N305—C312—C313	2 (4)
N302—C306—C303—C304	3 (3)	C329—N311—C330—C331	−7 (3)
N312—C332—C333—C334	−3 (6)	O3A—C12A—C11A—C10A	−180 (3)
N334—C397—C399—C400	178.7 (17)	C356—C357—C358—C359	−5 (4)
N334—C397—C399—C403	−1 (3)	C336—N312—C332—C333	1 (5)
N315—C343—C345—C349	−177.5 (17)	C383—N329—C384—C385	−7 (4)
N315—C343—C345—C346	4 (3)	C374—C375—C376—C377	−10 (4)
N315—C342—C339—C340	−175 (2)	C386—N330—C390—C389	−5 (3)
N315—C342—C339—C338	5 (3)	C398—N334—C397—N333	8 (3)
N320—C360—C357—C356	159.8 (18)	C398—N334—C397—C399	−177.0 (17)
N320—C360—C357—C358	−22 (3)	C398—N332—C396—N333	−1 (3)
N308—C324—C321—C320	156.9 (17)	C398—N332—C396—C393	176.7 (17)
N308—C324—C321—C322	−26 (3)	C398—C406—C405—C404	−180 (2)
N326—C378—C375—C374	−171.9 (19)	C398—C406—C407—C408	179 (3)
N326—C378—C375—C376	1 (3)	C382—C381—C379—N328	−167 (2)
N317—C347—C346—C345	−12 (5)	C382—C381—C379—N327	11 (3)
N333—C397—C399—C400	−6 (2)	C402—N335—C401—C400	14 (4)
N333—C397—C399—C403	174.6 (17)	C371—C370—C362—N320	−164 (2)
N306—C314—C315—C316	2 (3)	C371—C370—C362—N322	10 (3)
C343—N316—C344—N314	−7 (3)	C371—C370—C369—C368	3 (5)
C343—N316—C344—C352	177.0 (16)	C403—C399—C400—C401	1 (3)
C343—N315—C342—N314	−9 (3)	C365—N324—C366—C367	−4 (4)
C343—N315—C342—C339	172.4 (16)	C405—C406—C398—N334	−160 (3)
C343—C345—C346—C347	−175 (2)	C405—C406—C398—N332	21 (4)
N303—C307—C309—C313	−168.7 (19)	C405—C406—C407—C408	0 (4)
N303—C307—C309—C310	11 (3)	C405—C404—N336—Zn39	180 (2)
N303—C306—C303—C302	−1 (3)	C405—C404—N336—C408	2 (4)
N303—C306—C303—C304	179 (2)	C405—C404—N336—Zn49	−169 (2)
N309—C325—C327—C328	−14 (2)	C318—N306—C314—C315	−7 (3)
N309—C325—C327—C331	166.8 (16)	C376—C375—C374—C373	6 (4)
N309—C324—C321—C320	−26 (2)	O2A—C8A—C9A—C10A	177 (3)
N309—C324—C321—C322	151 (2)	C372—N323—C368—C369	7 (5)
N314—C342—C339—C340	6 (3)	C358—C357—C356—C355	1 (3)
N314—C342—C339—C338	−173.4 (19)	C323—N307—C319—C320	−4 (3)
N307—C323—C322—C321	4 (5)	C322—C321—C320—C319	0 (3)
N321—C360—C357—C356	−19 (3)	C369—C370—C362—N320	19 (3)
N321—C360—C357—C358	159 (2)	C369—C370—C362—N322	−167 (2)
N325—C373—C374—C375	3 (4)	C369—C370—C371—C372	−3 (4)
N329—C383—C382—C381	−8 (5)	C3A—C4A—C5A—C6A	1 (5)
C307—N304—C308—N302	1 (3)	C3A—C4A—C5A—C13A	176 (3)
C307—N304—C308—C316	179.2 (17)	C3A—C2A—C1A—C6A	2 (4)
C307—N303—C306—N302	3 (3)	C367—C363—C361—N322	−13 (2)
C307—N303—C306—C303	−173.6 (18)	C367—C363—C361—N321	166.4 (17)
C307—C309—C313—C312	172.4 (19)	C367—C363—C364—C365	−1 (3)
C307—C309—C310—C311	−177 (2)	C377—N325—C373—C374	−7 (4)
C325—N310—C326—N308	−4 (2)	C366—N324—C365—C364	5 (3)
C325—N310—C326—C334	179.9 (15)	C359—N319—C355—C356	0 (3)
C325—N309—C324—N308	3 (2)	C7A—C4A—C5A—C6A	178 (3)
C325—N309—C324—C321	−173.6 (13)	C7A—C4A—C5A—C13A	−7 (5)
C325—C327—C328—C329	178.3 (16)	C7A—C8A—C9A—C10A	−1 (6)
C325—C327—C331—C330	−177.6 (16)	C7A—C12A—C11A—C10A	−2 (6)
N319—C355—C356—C357	2 (3)	C368—N323—C372—C371	−7 (5)
N327—C378—C375—C374	11 (3)	C394—C393—C396—N333	−166 (2)
N327—C378—C375—C376	−176 (2)	C394—C393—C396—N332	16 (3)
C360—N320—C362—N322	4 (3)	C394—C393—C392—C391	−23 (3)
C360—N320—C362—C370	177.7 (16)	C4A—C3A—C2A—C1A	−1 (4)
C360—N321—C361—N322	−7 (2)	C4A—C7A—C8A—O2A	1 (4)
C360—N321—C361—C363	172.8 (14)	C4A—C7A—C8A—C9A	179 (3)
C360—C357—C356—C355	178.9 (18)	C4A—C7A—C12A—O3A	0 (4)
C360—C357—C358—C359	177 (3)	C4A—C7A—C12A—C11A	−178 (3)
C324—N308—C326—N310	1 (2)	C4A—C5A—C6A—C1A	−1 (5)
C324—N308—C326—C334	177.0 (15)	C4A—C5A—C13A—O1A	−163 (3)
C324—N309—C325—N310	−7 (2)	C2A—C3A—C4A—C7A	−177 (2)
C324—N309—C325—C327	176.0 (14)	C2A—C3A—C4A—C5A	0 (5)
C324—C321—C320—C319	177.3 (16)	C2A—C1A—C6A—C5A	−1 (5)
C324—C321—C322—C323	179 (3)	C407—C406—C398—N334	21 (3)
C342—N315—C343—N316	4 (3)	C407—C406—C398—N332	−158 (2)
C342—N315—C343—C345	−173.0 (16)	C407—C406—C405—C404	−1 (5)
C342—N314—C344—N316	2 (3)	C407—C408—N336—Zn39	179 (3)
C342—N314—C344—C352	178.3 (17)	C407—C408—N336—C404	−3 (5)
C342—C339—C340—C341	171.5 (19)	C407—C408—N336—Zn49	163 (2)
C342—C339—C338—C337	−176 (2)	C395—N331—C391—C392	15 (3)
N301—C305—C304—C303	−2 (4)	C8A—C7A—C4A—C3A	−74 (4)
N301—C301—C302—C303	−12 (5)	C8A—C7A—C4A—C5A	109 (4)
N335—C401—C400—C399	−10 (4)	C8A—C7A—C12A—O3A	−179 (3)
N335—C402—C403—C399	3 (4)	C8A—C7A—C12A—C11A	3 (5)
C306—N302—C308—N304	−5 (3)	C8A—C9A—C10A—C11A	2 (6)
C306—N302—C308—C316	176.6 (16)	C12A—C7A—C4A—C3A	107 (4)
C306—N303—C307—N304	−8 (3)	C12A—C7A—C4A—C5A	−71 (4)
C306—N303—C307—C309	172.0 (16)	C12A—C7A—C8A—O2A	−179 (3)
C306—C303—C304—C305	−179 (2)	C12A—C7A—C8A—C9A	−1 (5)
C321—C320—C319—N307	4 (3)	C12A—C11A—C10A—C9A	−1 (6)
C352—C351—C350—N318	−4 (4)	C6A—C5A—C13A—O1A	12 (5)
N331—C391—C392—C393	3 (3)	C15A—O3A—C12A—C7A	−177 (3)
C334—C335—C336—N312	−3 (4)	C15A—O3A—C12A—C11A	1 (5)
C390—N330—C386—C387	9 (4)	C13A—C5A—C6A—C1A	−175 (3)
C327—C328—C329—N311	−3 (3)	C14A—O2A—C8A—C7A	−172 (3)
C327—C331—C330—N311	1 (3)	C14A—O2A—C8A—C9A	10 (5)
C316—C317—C318—N306	−6 (4)	Zn49^vi—N305—C312—C313	−176.4 (18)
C349—C345—C346—C347	7 (3)	Zn49^vi—N305—C311—C310	171 (3)
C393—C394—C395—N331	−7 (4)	N336—C408—C407—C406	2 (5)
C393—C494—C495—N331	−18 (7)	Zn45—N318—C354—C353	174.9 (17)
C385—C381—C379—N328	9 (3)	Zn45—N318—C350—C351	−173 (2)
C385—C381—C379—N327	−173 (2)	Zn45—N319—C355—C356	178.2 (16)
C385—C381—C382—C383	7 (4)	Zn45—N319—C359—C358	177 (3)
C314—N306—C318—C317	9 (4)	Zn44—N317—C348—C349	−179.7 (18)
C345—C349—C348—N317	2 (3)	Zn44—N317—C347—C346	−175 (3)
C396—N333—C397—N334	−10 (3)	Zn44^viii—N324—C365—C364	−175.1 (14)
C396—N333—C397—C399	175.3 (14)	Zn44^viii—N324—C366—C367	176 (2)
C396—N332—C398—N334	−1 (3)	Zn42—N306—C314—C315	171.5 (16)
C396—N332—C398—C406	178.5 (18)	Zn42—N306—C318—C317	−170 (2)
C396—C393—C392—C391	177.6 (18)	Zn42—N307—C319—C320	179.8 (15)
C396—C393—C394—C395	−175 (2)	Zn42—N307—C323—C322	176 (3)
C396—C393—C494—C495	−172 (4)	Zn47—N329—C384—C385	177.1 (19)
C354—N318—C350—C351	6 (4)	Zn47—N329—C383—C382	−176 (3)
C326—N310—C325—N309	7 (2)	Zn47^vii—N335—C401—C400	−167.5 (19)
C326—N310—C325—C327	−175.7 (14)	Zn47^vii—N335—C402—C403	171 (2)
C326—N308—C324—N309	−1 (3)	Zn41^v—N311—C330—C331	175.0 (15)
C326—N308—C324—C321	176.2 (15)	Zn41^v—N311—C329—C328	−174.3 (13)
C326—C334—C335—C336	−178 (2)	Zn41—N301—C305—C304	−168 (2)
C326—C334—C333—C332	−180 (3)	Zn41—N301—C301—C302	175 (2)
C363—C364—C365—N324	−3 (3)	Zn48—N330—C390—C389	171.4 (19)
C363—C367—C366—N324	1 (4)	Zn48—N330—C386—C387	−168 (2)
C381—C385—C384—N329	7 (4)	Zn48—N331—C391—C392	−176.9 (16)
C339—C340—C341—N313	7 (3)	Zn48—N331—C495—C494	−177 (4)
C339—C338—C337—N313	2 (4)	Zn43—N313—C341—C340	173.5 (16)
C384—N329—C383—C382	8 (5)	Zn43—N313—C337—C338	−178.5 (19)
C384—C385—C381—C379	177 (2)	Zn43—N312—C332—C333	−174 (3)
C384—C385—C381—C382	−6 (3)	Zn43—N312—C336—C335	177 (2)
C361—N322—C362—N320	−4 (2)	Zn36—N325—C373—C374	178.5 (19)
C361—N322—C362—C370	−177.2 (16)	Zn36—N325—C377—C376	175.9 (19)
C361—N321—C360—N320	8 (3)	Zn36—N323—C372—C371	173 (2)
C361—N321—C360—C357	−173.1 (14)	Zn36—N323—C368—C369	−174 (3)
C361—C363—C364—C365	−179.8 (16)	Zn54—N317—C348—C349	159 (2)
C361—C363—C367—C366	−179.3 (18)	Zn54—N317—C347—C346	−153 (2)
C357—C358—C359—N319	8 (5)	Zn54^viii—N324—C365—C364	−170.8 (18)
C379—N328—C380—N326	−9 (3)	Zn54^viii—N324—C366—C367	174 (2)
C379—N328—C380—C388	175.3 (18)	Zn51^v—N311—C330—C331	175 (2)
C379—N327—C378—N326	−6 (3)	Zn51^v—N311—C329—C328	−176 (2)
C379—N327—C378—C375	171.0 (18)	Zn51—N301—C305—C304	163 (2)
C379—C381—C382—C383	−177 (3)	Zn51—N301—C301—C302	−151 (3)
C378—N326—C380—N328	7 (3)	Zn52—N306—C314—C315	152 (2)
C378—N326—C380—C388	−177.6 (18)	Zn52—N306—C318—C317	−156 (2)
C378—N327—C379—N328	3 (3)	Zn52—N307—C319—C320	−178.7 (19)
C378—N327—C379—C381	−174.4 (18)	Zn52—N307—C323—C322	172 (3)
C378—C375—C374—C373	179 (2)	Zn55—N318—C354—C353	157 (2)
C378—C375—C376—C377	176 (2)	Zn55—N318—C350—C351	−160 (3)
C344—N316—C343—N315	4 (3)	Zn55—N319—C355—C356	−179 (2)
C344—N316—C343—C345	−179.8 (15)	Zn55—N319—C359—C358	174 (3)
C344—N314—C342—N315	6 (3)	C494—C393—C396—N333	141 (3)
C344—N314—C342—C339	−175.2 (17)	C494—C393—C396—N332	−37 (4)
C344—C352—C353—C354	178.6 (18)	C494—C393—C392—C391	27 (3)
C344—C352—C351—C350	−176.9 (19)	C495—N331—C391—C392	−40 (3)
C353—C352—C344—N316	1 (3)	C1B—C6B—C5B—C4B	1 (3)
C353—C352—C344—N314	−175.4 (18)	C1B—C6B—C5B—C13B	172 (5)
C353—C352—C351—C350	0 (3)	C6B—C1B—C2B—C3B	0 (3)
C375—C376—C377—N325	7 (4)	C6B—C5B—C4B—C3B	−2 (4)
C370—C371—C372—N323	6 (5)	C6B—C5B—C4B—C7B	179 (4)
C370—C369—C368—N323	−5 (6)	C6B—C5B—C13B—O1B	62 (9)
C397—N334—C398—N332	−2 (3)	C3B—C4B—C7B—C12B	110 (4)
C397—N334—C398—C406	178 (2)	C3B—C4B—C7B—C8B	−66 (4)
C397—N333—C396—N332	6 (2)	C5B—C4B—C7B—C12B	−70 (5)
C397—N333—C396—C393	−172.5 (15)	C5B—C4B—C7B—C8B	113 (4)
C397—C399—C400—C401	−178.3 (18)	C4B—C3B—C2B—C1B	−1 (3)
C397—C399—C403—C402	−178.8 (18)	C4B—C5B—C13B—O1B	−127 (7)
C309—C313—C312—N305	5 (3)	C4B—C7B—C12B—O3B	3 (5)
C309—C310—C311—N305	5 (4)	C4B—C7B—C12B—C11B	−177 (4)
C362—N320—C360—N321	−7 (3)	C4B—C7B—C8B—C9B	176 (4)
C362—N320—C360—C357	174.2 (15)	C4B—C7B—C8B—O2B	−4 (5)
C362—N322—C361—N321	6 (2)	C2B—C1B—C6B—C5B	−1 (2)
C362—N322—C361—C363	−174.6 (14)	C2B—C3B—C4B—C5B	1 (3)
C362—C370—C371—C372	180 (3)	C2B—C3B—C4B—C7B	−179 (4)
C362—C370—C369—C368	179 (3)	C7B—C12B—O3B—C15B	−163 (6)
C313—C309—C310—C311	3 (3)	C7B—C12B—C11B—C10B	1 (3)
C348—N317—C347—C346	11 (4)	C7B—C8B—O2B—C14B	−170 (9)
C348—C349—C345—C343	179.7 (18)	C12B—C7B—C8B—C9B	−1 (3)
C348—C349—C345—C346	−2 (3)	C12B—C7B—C8B—O2B	179 (3)
C328—C327—C331—C330	4 (3)	C10B—C9B—C8B—C7B	1 (4)
C315—C316—C308—N304	−170.7 (19)	C10B—C9B—C8B—O2B	−179 (3)
C315—C316—C308—N302	8 (3)	C13B—C5B—C4B—C3B	−173 (5)
C315—C316—C317—C318	0 (3)	C13B—C5B—C4B—C7B	8 (6)
C308—N304—C307—N303	6 (3)	O3B—C12B—C11B—C10B	−178 (4)
C308—N304—C307—C309	−173.7 (17)	C9B—C10B—C11B—C12B	0 (3)
C308—N302—C306—N303	3 (3)	C9B—C8B—O2B—C14B	10 (10)
C308—N302—C306—C303	179.5 (17)	C11B—C12B—O3B—C15B	17 (7)
C308—C316—C315—C314	177.2 (18)	C11B—C10B—C9B—C8B	−1 (4)
C308—C316—C317—C318	−176 (2)	C802—C803—C804—C805	57 (5)
C373—N325—C377—C376	2 (4)	C803—C802—C801—C806	56 (5)
C388—C387—C386—N330	−5 (4)	C803—C804—C805—C806	−55 (4)
C380—N328—C379—N327	4 (3)	C804—C805—C806—C801	54 (4)
C380—N328—C379—C381	−179.2 (18)	C805—C806—C801—C802	−55 (4)
C380—N326—C378—N327	1 (3)	C801—C802—C803—C804	−57 (5)
C380—N326—C378—C375	−175.3 (18)	C8B—C7B—C12B—O3B	179 (3)
C380—C388—C389—C390	−177 (2)	C8B—C7B—C12B—C11B	0 (2)
C380—C388—C387—C386	180 (2)	C810—C811—C812—C807	56 (4)
C391—N331—C395—C394	−13 (4)	C811—C810—C809—C808	52 (5)
C391—N331—C495—C494	46 (5)	C811—C812—C807—C808	−54 (4)
C392—C393—C396—N333	−7 (3)	C812—C807—C808—C809	51 (5)
C392—C393—C396—N332	174.6 (18)	C807—C808—C809—C810	−49 (5)
C392—C393—C394—C395	25 (4)	C809—C810—C811—C812	−55 (4)
C392—C393—C494—C495	−20 (6)	C814—C813—C818—C817	56 (5)
C364—C363—C361—N322	165.9 (15)	C813—C814—C815—C816	55 (5)
C364—C363—C361—N321	−14 (2)	C813—C818—C817—C816	−57 (5)
C364—C363—C367—C366	1 (3)	C818—C817—C816—C815	56 (5)
C331—C327—C328—C329	−3 (3)	C817—C816—C815—C814	−55 (5)
C320—C321—C322—C323	−4 (4)	C815—C814—C813—C818	−56 (5)

Symmetry codes: (i) x, −y+2, z+1/2; (ii) x, −y, z+1/2; (iii) x, −y+1, z+1/2; (iv) x−1/2, y−3/2, z−1; (v) x, −y+2, z−1/2; (vi) x+1/2, y+3/2, z+1; (vii) x, −y, z−1/2; (viii) x, −y+1, z−1/2.

catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc (4_5_48a)

Crystal data

C36H24I6N12Zn3	F(000) = 5856
Mr = 1582.18	Dx = 1.419 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.0757 (18) Å	Cell parameters from 6944 reflections
b = 15.0947 (6) Å	θ = 2.7–68.3°
c = 29.186 (2) Å	µ = 20.98 mm^−1
β = 99.380 (6)°	T = 100 K
V = 14811.6 (15) Å^3	Block, colourless
Z = 8	0.21 × 0.13 × 0.05 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	13370 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	7602 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.050
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −31→40
Absorption correction: analytical CrysAlisPro 1.171.41.89a (Rigaku Oxford Diffraction, 2020) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −18→14
Tmin = 0.121, Tmax = 0.429	l = −34→35
41560 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.092	H-atom parameters constrained
wR(F^2) = 0.341	w = 1/[σ^2(Fo^2) + (0.2P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.18	(Δ/σ)max < 0.001
13370 reflections	Δρmax = 1.38 e Å^−3
494 parameters	Δρmin = −0.73 e Å^−3
23 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. No guests or solvent were identified from the electron density map, SQUEEZE has been applied to address the residual electron density within the pore. SQUEEZE analysis indicated one void with a volume of 796 Ang**3 and an electron count of 191. This is equivalent to 3.98 cyclohexane molecules or 1.47 BBA-8,12-OMe molecules.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I306	0.61977 (18)	0.2671 (3)	0.5557 (2)	0.132 (2)	0.5093
I305	0.52667 (10)	0.3334 (3)	0.64545 (14)	0.0962 (9)	0.5093
I302	0.8837 (3)	0.2614 (3)	0.9236 (4)	0.221 (4)	0.4796
Zn33	0.58012 (17)	0.3706 (3)	0.5979 (2)	0.105 (4)	0.5093
I303	0.73144 (9)	1.22728 (11)	0.79875 (11)	0.1373 (10)	0.597 (5)
I304	0.62739 (9)	1.15139 (10)	0.69131 (7)	0.1360 (9)	0.597 (5)
I301	0.84178 (18)	0.4198 (3)	1.0339 (3)	0.216 (3)	0.4796
Zn31	0.8683 (3)	0.4055 (6)	0.9568 (4)	0.190 (6)	0.4796
Zn32	0.66963 (12)	1.13506 (18)	0.77094 (14)	0.1069 (11)	0.597 (5)
N311	0.4122 (5)	1.0122 (8)	0.4659 (8)	0.158 (8)
N308	0.5645 (4)	0.7197 (6)	0.4401 (4)	0.107 (3)
N306	0.6208 (3)	0.4457 (6)	0.6425 (5)	0.127 (2)
N303	0.7312 (3)	0.6871 (5)	0.8196 (4)	0.1056 (16)
N302	0.7179 (3)	0.5509 (5)	0.7818 (4)	0.1056 (16)
N307	0.5583 (3)	0.4734 (5)	0.5511 (4)	0.090 (3)
N309	0.5125 (3)	0.7627 (5)	0.4794 (4)	0.101 (3)
N304	0.6812 (3)	0.6770 (5)	0.7531 (4)	0.1056 (16)
N310	0.5312 (3)	0.8546 (6)	0.4194 (4)	0.109 (4)
C320	0.5227 (4)	0.6058 (6)	0.5312 (5)	0.096 (4)
H320	0.502396	0.645683	0.536864	0.115*
C321	0.5447 (3)	0.6227 (7)	0.4985 (5)	0.088 (3)
C324	0.5398 (4)	0.7069 (8)	0.4707 (5)	0.103 (4)
C325	0.5087 (3)	0.8367 (6)	0.4513 (5)	0.098 (4)
C326	0.5581 (4)	0.7944 (7)	0.4164 (5)	0.107 (4)
C327	0.4755 (4)	0.8997 (7)	0.4594 (7)	0.124 (6)
C319	0.5301 (3)	0.5284 (7)	0.5569 (4)	0.094 (3)
H319	0.513931	0.514980	0.579612	0.113*
C308	0.6905 (3)	0.5924 (6)	0.7509 (5)	0.1056 (16)
N312	0.6368 (6)	0.8449 (8)	0.3216 (5)	0.149 (6)
C307	0.7044 (3)	0.7238 (6)	0.7868 (5)	0.1056 (16)
C316	0.6669 (4)	0.5399 (7)	0.7139 (6)	0.127 (2)
C306	0.7370 (3)	0.6007 (6)	0.8160 (5)	0.1056 (16)
N305	0.6865 (5)	1.0009 (7)	0.7821 (5)	0.140 (2)
C328	0.4596 (5)	0.9040 (9)	0.4981 (7)	0.130 (6)
H328	0.468884	0.867304	0.524091	0.156*
C322	0.5743 (4)	0.5652 (7)	0.4892 (5)	0.104 (4)
H322	0.589620	0.576645	0.465443	0.124*
N301	0.8227 (3)	0.4710 (6)	0.9132 (5)	0.145 (3)
C334	0.5845 (5)	0.8131 (8)	0.3835 (6)	0.111 (4)
C302	0.7900 (4)	0.6015 (7)	0.8858 (6)	0.145 (3)
H302	0.787177	0.663913	0.888101	0.174*
C329	0.4293 (4)	0.9633 (8)	0.4990 (6)	0.130 (6)
H329	0.419858	0.968768	0.527779	0.156*
C303	0.7665 (4)	0.5552 (7)	0.8497 (6)	0.145 (3)
C301	0.8169 (4)	0.5583 (7)	0.9174 (6)	0.145 (3)
H301	0.831601	0.589958	0.942635	0.174*
C309	0.6988 (6)	0.8222 (8)	0.7870 (7)	0.140 (2)
C323	0.5799 (4)	0.4893 (8)	0.5171 (6)	0.109 (4)
H323	0.599607	0.447544	0.511873	0.131*
C304	0.7719 (4)	0.4637 (7)	0.8484 (6)	0.145 (3)
H304	0.755633	0.428421	0.825927	0.174*
C310	0.7179 (6)	0.8754 (8)	0.8191 (7)	0.140 (2)
H310	0.735587	0.852082	0.844833	0.168*
C314	0.6481 (4)	0.4072 (7)	0.6710 (5)	0.127 (2)
H314	0.651761	0.345274	0.667508	0.153*
C315	0.6735 (4)	0.4518 (7)	0.7080 (5)	0.127 (2)
H315	0.694077	0.421205	0.727523	0.153*
C311	0.7116 (6)	0.9664 (9)	0.8143 (7)	0.140 (2)
H311	0.726908	1.004769	0.836071	0.168*
C317	0.6411 (4)	0.5831 (7)	0.6795 (5)	0.127 (2)
H317	0.639046	0.645874	0.679040	0.153*
C312	0.6643 (6)	0.9452 (8)	0.7493 (6)	0.140 (2)
H312	0.644389	0.968683	0.725816	0.168*
C333	0.6190 (7)	0.7614 (12)	0.3854 (8)	0.153 (7)
H333	0.624858	0.715557	0.407754	0.183*
C305	0.8003 (4)	0.4263 (7)	0.8794 (6)	0.145 (3)
H305	0.804718	0.364432	0.877174	0.174*
C332	0.6449 (9)	0.7796 (11)	0.3527 (9)	0.177 (9)
H332	0.668256	0.745011	0.353145	0.213*
C331	0.4635 (6)	0.9558 (15)	0.4203 (9)	0.173 (9)
H331	0.475932	0.958329	0.393407	0.208*
C318	0.6179 (4)	0.5305 (7)	0.6448 (6)	0.127 (2)
H318	0.599109	0.559567	0.622075	0.153*
C336	0.6037 (9)	0.8951 (13)	0.3214 (9)	0.168 (8)
H336	0.599300	0.943796	0.300555	0.201*
C313	0.6717 (6)	0.8586 (8)	0.7518 (7)	0.140 (2)
H313	0.657979	0.820728	0.728628	0.168*
C335	0.5768 (7)	0.8788 (14)	0.3494 (8)	0.168 (8)
H335	0.552704	0.911708	0.346068	0.201*
C330	0.4288 (7)	1.0095 (14)	0.4280 (11)	0.179 (12)
H330	0.417116	1.045968	0.402964	0.214*
I405	0.5237 (2)	0.3448 (5)	0.6420 (2)	0.168 (3)	0.4192
Zn43	0.57986 (19)	0.3728 (4)	0.5968 (2)	0.080 (3)	0.4192
I406	0.61599 (16)	0.2585 (3)	0.5550 (2)	0.0981 (16)	0.4192
I402	0.8715 (3)	0.2624 (5)	0.9434 (5)	0.266 (7)	0.4918
Zn41	0.8591 (3)	0.4156 (7)	0.9710 (4)	0.144 (3)	0.4918
I401	0.83573 (14)	0.4674 (4)	1.0475 (2)	0.183 (2)	0.4918
I502	0.9093 (8)	0.2685 (16)	0.8914 (8)	0.080*	0.0286
Zn51	0.8845 (17)	0.381 (4)	0.9428 (15)	0.080*	0.0286
I501	0.8511 (7)	0.3664 (18)	1.0132 (8)	0.080*	0.0286
I403	0.7583 (2)	1.2091 (2)	0.8335 (3)	0.210 (4)	0.403 (5)
Zn42	0.6948 (3)	1.1416 (3)	0.7898 (3)	0.153 (3)	0.403 (5)
I404	0.6646 (4)	1.1859 (4)	0.7085 (2)	0.268 (6)	0.403 (5)
I506	0.6026 (3)	0.2567 (7)	0.5853 (4)	0.080*	0.0714
Zn53	0.5660 (6)	0.3847 (18)	0.6187 (8)	0.080*	0.0714
I505	0.5122 (4)	0.3327 (9)	0.6647 (4)	0.080*	0.0714

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I306	0.159 (4)	0.0575 (19)	0.158 (3)	0.0216 (19)	−0.034 (3)	0.0127 (17)
I305	0.0859 (13)	0.1054 (17)	0.0927 (17)	−0.0141 (12)	0.0005 (12)	−0.0165 (13)
I302	0.166 (4)	0.0420 (13)	0.381 (10)	−0.0027 (13)	−0.180 (5)	0.016 (2)
Zn33	0.101 (5)	0.036 (3)	0.145 (7)	0.002 (2)	−0.074 (4)	−0.006 (2)
I303	0.1468 (17)	0.0604 (8)	0.200 (2)	−0.0203 (8)	0.0135 (15)	−0.0381 (10)
I304	0.198 (2)	0.0642 (8)	0.1282 (13)	0.0141 (9)	−0.0273 (13)	0.0153 (7)
I301	0.172 (4)	0.148 (3)	0.277 (6)	−0.037 (3)	−0.115 (4)	0.084 (4)
Zn31	0.131 (7)	0.060 (3)	0.313 (12)	−0.020 (3)	−0.159 (8)	0.046 (5)
Zn32	0.132 (3)	0.0409 (12)	0.134 (2)	0.0076 (13)	−0.0188 (19)	−0.0040 (12)
N311	0.124 (11)	0.070 (6)	0.234 (18)	0.009 (6)	−0.110 (12)	−0.005 (9)
N308	0.111 (7)	0.069 (5)	0.121 (8)	−0.009 (5)	−0.039 (7)	−0.001 (5)
N306	0.122 (3)	0.056 (2)	0.168 (5)	−0.003 (2)	−0.084 (3)	0.004 (2)
N303	0.091 (2)	0.0495 (17)	0.151 (4)	−0.0076 (15)	−0.058 (2)	0.0084 (19)
N302	0.091 (2)	0.0495 (17)	0.151 (4)	−0.0076 (15)	−0.058 (2)	0.0084 (19)
N307	0.086 (5)	0.064 (4)	0.105 (6)	0.016 (4)	−0.035 (5)	−0.007 (4)
N309	0.089 (5)	0.067 (5)	0.123 (7)	0.001 (4)	−0.058 (5)	0.000 (4)
N304	0.091 (2)	0.0495 (17)	0.151 (4)	−0.0076 (15)	−0.058 (2)	0.0084 (19)
N310	0.105 (7)	0.061 (5)	0.135 (8)	−0.012 (5)	−0.058 (7)	0.007 (5)
C320	0.089 (7)	0.057 (5)	0.122 (9)	0.012 (5)	−0.041 (7)	−0.002 (5)
C321	0.077 (6)	0.065 (5)	0.109 (8)	0.003 (4)	−0.022 (6)	−0.002 (5)
C324	0.100 (8)	0.068 (6)	0.125 (10)	0.006 (6)	−0.033 (8)	0.001 (6)
C325	0.077 (6)	0.052 (5)	0.142 (10)	−0.009 (4)	−0.055 (7)	0.010 (5)
C326	0.123 (9)	0.060 (6)	0.118 (9)	−0.005 (6)	−0.040 (8)	−0.005 (6)
C327	0.103 (8)	0.055 (5)	0.178 (14)	0.015 (5)	−0.088 (10)	−0.010 (7)
C319	0.085 (6)	0.072 (6)	0.110 (7)	−0.011 (5)	−0.035 (6)	0.002 (5)
C308	0.091 (2)	0.0495 (17)	0.151 (4)	−0.0076 (15)	−0.058 (2)	0.0084 (19)
N312	0.232 (17)	0.064 (7)	0.137 (10)	−0.044 (9)	−0.007 (11)	−0.012 (6)
C307	0.091 (2)	0.0495 (17)	0.151 (4)	−0.0076 (15)	−0.058 (2)	0.0084 (19)
C316	0.122 (3)	0.056 (2)	0.168 (5)	−0.003 (2)	−0.084 (3)	0.004 (2)
C306	0.091 (2)	0.0495 (17)	0.151 (4)	−0.0076 (15)	−0.058 (2)	0.0084 (19)
N305	0.178 (6)	0.060 (3)	0.161 (5)	0.013 (3)	−0.036 (4)	0.003 (3)
C328	0.132 (11)	0.082 (8)	0.148 (13)	0.032 (7)	−0.062 (10)	−0.024 (8)
C322	0.101 (7)	0.063 (6)	0.141 (10)	0.012 (5)	0.003 (7)	0.017 (6)
N301	0.121 (4)	0.056 (2)	0.212 (6)	−0.017 (2)	−0.109 (4)	0.018 (3)
C334	0.124 (10)	0.059 (6)	0.135 (11)	0.000 (6)	−0.027 (9)	0.006 (6)
C302	0.121 (4)	0.056 (2)	0.212 (6)	−0.017 (2)	−0.109 (4)	0.018 (3)
C329	0.111 (8)	0.071 (6)	0.172 (12)	0.014 (6)	−0.086 (9)	−0.029 (7)
C303	0.121 (4)	0.056 (2)	0.212 (6)	−0.017 (2)	−0.109 (4)	0.018 (3)
C301	0.121 (4)	0.056 (2)	0.212 (6)	−0.017 (2)	−0.109 (4)	0.018 (3)
C309	0.178 (6)	0.060 (3)	0.161 (5)	0.013 (3)	−0.036 (4)	0.003 (3)
C323	0.096 (8)	0.067 (6)	0.156 (12)	0.017 (5)	−0.002 (8)	0.019 (7)
C304	0.121 (4)	0.056 (2)	0.212 (6)	−0.017 (2)	−0.109 (4)	0.018 (3)
C310	0.178 (6)	0.060 (3)	0.161 (5)	0.013 (3)	−0.036 (4)	0.003 (3)
C314	0.122 (3)	0.056 (2)	0.168 (5)	−0.003 (2)	−0.084 (3)	0.004 (2)
C315	0.122 (3)	0.056 (2)	0.168 (5)	−0.003 (2)	−0.084 (3)	0.004 (2)
C311	0.178 (6)	0.060 (3)	0.161 (5)	0.013 (3)	−0.036 (4)	0.003 (3)
C317	0.122 (3)	0.056 (2)	0.168 (5)	−0.003 (2)	−0.084 (3)	0.004 (2)
C312	0.178 (6)	0.060 (3)	0.161 (5)	0.013 (3)	−0.036 (4)	0.003 (3)
C333	0.20 (2)	0.108 (12)	0.152 (15)	−0.022 (12)	0.032 (15)	0.007 (10)
C305	0.121 (4)	0.056 (2)	0.212 (6)	−0.017 (2)	−0.109 (4)	0.018 (3)
C332	0.26 (3)	0.077 (9)	0.20 (2)	0.043 (12)	0.07 (2)	0.026 (11)
C331	0.129 (12)	0.167 (17)	0.201 (19)	0.022 (11)	−0.041 (13)	0.082 (15)
C318	0.122 (3)	0.056 (2)	0.168 (5)	−0.003 (2)	−0.084 (3)	0.004 (2)
C336	0.24 (3)	0.083 (11)	0.170 (18)	−0.026 (14)	0.010 (18)	0.006 (11)
C313	0.178 (6)	0.060 (3)	0.161 (5)	0.013 (3)	−0.036 (4)	0.003 (3)
C335	0.165 (16)	0.144 (16)	0.182 (18)	0.026 (12)	−0.011 (15)	0.085 (15)
C330	0.138 (16)	0.113 (13)	0.24 (3)	0.023 (11)	−0.090 (17)	0.073 (16)
I405	0.180 (5)	0.153 (4)	0.138 (4)	−0.084 (3)	−0.069 (3)	0.045 (3)
Zn43	0.077 (5)	0.078 (6)	0.082 (4)	−0.007 (3)	0.003 (3)	0.009 (3)
I406	0.0908 (18)	0.0478 (16)	0.149 (3)	−0.0070 (12)	0.0000 (18)	−0.0221 (15)
I402	0.209 (7)	0.095 (3)	0.404 (12)	−0.012 (3)	−0.217 (8)	0.044 (3)
Zn41	0.091 (4)	0.110 (6)	0.200 (6)	−0.032 (3)	−0.069 (3)	0.062 (4)
I401	0.124 (2)	0.188 (4)	0.215 (4)	−0.022 (3)	−0.038 (2)	0.100 (4)
I403	0.234 (6)	0.0792 (19)	0.333 (9)	−0.041 (3)	0.089 (6)	−0.068 (3)
Zn42	0.242 (10)	0.055 (2)	0.168 (6)	0.023 (4)	0.052 (6)	0.007 (3)
I404	0.493 (15)	0.147 (4)	0.185 (4)	0.167 (7)	0.118 (7)	0.083 (4)

Geometric parameters (Å, º)

I306—Zn33	2.515 (7)	N305—Zn42	2.151 (12)
I305—Zn33	2.527 (8)	C328—H328	0.9500
I302—Zn31	2.473 (10)	C328—C329	1.37 (2)
Zn33—N306	2.077 (10)	C322—H322	0.9500
Zn33—N307	2.118 (10)	C322—C323	1.401 (18)
I303—Zn32	2.545 (4)	N301—C301	1.341 (16)
I304—Zn32	2.539 (4)	N301—C305	1.329 (15)
I301—Zn31	2.567 (14)	N301—Zn41	2.098 (12)
Zn31—N311^i	1.930 (18)	N301—Zn51	2.53 (6)
Zn31—N301	2.089 (11)	C334—C333	1.40 (3)
Zn32—N312^ii	2.017 (19)	C334—C335	1.40 (2)
Zn32—N305	2.117 (10)	C302—H302	0.9500
N311—C329	1.28 (2)	C302—C303	1.403 (17)
N311—C330	1.32 (3)	C302—C301	1.356 (15)
N311—Zn41^iii	2.14 (2)	C329—H329	0.9500
N311—Zn51^iii	1.93 (6)	C303—C304	1.396 (17)
N308—C324	1.337 (19)	C301—H301	0.9500
N308—C326	1.322 (16)	C309—C310	1.32 (2)
N306—C314	1.283 (13)	C309—C313	1.38 (2)
N306—C318	1.286 (15)	C323—H323	0.9500
N306—Zn43	2.081 (11)	C304—H304	0.9500
N306—Zn53	2.10 (3)	C304—C305	1.338 (15)
N303—C307	1.331 (13)	C310—H310	0.9500
N303—C306	1.326 (14)	C310—C311	1.395 (18)
N302—C308	1.344 (12)	C314—H314	0.9500
N302—C306	1.330 (14)	C314—C315	1.435 (15)
N307—C319	1.302 (15)	C315—H315	0.9500
N307—C323	1.351 (18)	C311—H311	0.9500
N307—Zn43	2.074 (11)	C317—H317	0.9500
N307—Zn53	2.36 (3)	C317—C318	1.422 (15)
N309—C324	1.311 (18)	C312—H312	0.9500
N309—C325	1.379 (15)	C312—C313	1.332 (18)
N304—C308	1.320 (13)	C333—H333	0.9500
N304—C307	1.357 (13)	C333—C332	1.43 (3)
N310—C325	1.329 (19)	C305—H305	0.9500
N310—C326	1.304 (18)	C332—H332	0.9500
C320—H320	0.9500	C331—H331	0.9500
C320—C321	1.332 (18)	C331—C330	1.48 (4)
C320—C319	1.390 (15)	C318—H318	0.9500
C321—C324	1.502 (17)	C336—H336	0.9500
C321—C322	1.390 (17)	C336—C335	1.35 (3)
C325—C327	1.52 (2)	C313—H313	0.9500
C326—C334	1.45 (2)	C335—H335	0.9500
C327—C328	1.33 (2)	C330—H330	0.9500
C327—C331	1.43 (2)	C330—Zn51^iii	2.32 (7)
C319—H319	0.9500	I405—Zn43	2.531 (8)
C308—C316	1.469 (15)	Zn43—I406	2.543 (7)
N312—C332	1.34 (2)	I402—Zn41	2.508 (11)
N312—C336	1.36 (3)	Zn41—I401	2.608 (11)
N312—Zn42^iv	2.33 (2)	I502—Zn51	2.51 (3)
C307—C309	1.499 (16)	Zn51—I501	2.52 (3)
C316—C315	1.364 (17)	I403—Zn42	2.539 (11)
C316—C317	1.385 (15)	Zn42—I404	2.518 (10)
C306—C303	1.458 (14)	I506—Zn53	2.576 (19)
N305—C311	1.273 (19)	Zn53—I505	2.56 (2)
N305—C312	1.40 (2)
I306—Zn33—I305	128.6 (3)	C335—C334—C326	123.1 (16)
N306—Zn33—I306	106.8 (5)	C335—C334—C333	119 (2)
N306—Zn33—I305	104.1 (5)	C303—C302—H302	119.6
N306—Zn33—N307	97.6 (4)	C301—C302—H302	119.6
N307—Zn33—I306	107.5 (4)	C301—C302—C303	120.7 (11)
N307—Zn33—I305	108.0 (4)	N311—C329—C328	128 (2)
I302—Zn31—I301	123.0 (6)	N311—C329—H329	116.1
N311^i—Zn31—I302	114.3 (9)	C328—C329—H329	116.1
N311^i—Zn31—I301	101.6 (9)	C302—C303—C306	121.3 (10)
N311^i—Zn31—N301	105.2 (6)	C304—C303—C306	121.9 (10)
N301—Zn31—I302	111.2 (6)	C304—C303—C302	116.8 (10)
N301—Zn31—I301	99.3 (7)	N301—C301—C302	120.3 (11)
I304—Zn32—I303	123.73 (17)	N301—C301—H301	119.8
N312^ii—Zn32—I303	102.3 (6)	C302—C301—H301	119.8
N312^ii—Zn32—I304	110.9 (5)	C310—C309—C307	123.7 (13)
N312^ii—Zn32—N305	101.5 (6)	C310—C309—C313	118.6 (12)
N305—Zn32—I303	106.5 (4)	C313—C309—C307	117.6 (13)
N305—Zn32—I304	109.5 (4)	N307—C323—C322	122.1 (12)
Zn31^iii—N311—Zn41^iii	15.3 (6)	N307—C323—H323	118.9
C329—N311—Zn31^iii	136 (2)	C322—C323—H323	118.9
C329—N311—C330	114.2 (18)	C303—C304—H304	120.5
C329—N311—Zn41^iii	122 (2)	C305—C304—C303	119.0 (11)
C329—N311—Zn51^iii	152 (2)	C305—C304—H304	120.5
C330—N311—Zn31^iii	109.5 (14)	C309—C310—H310	120.8
C330—N311—Zn41^iii	123.8 (13)	C309—C310—C311	118.4 (15)
C330—N311—Zn51^iii	89.2 (17)	C311—C310—H310	120.8
C326—N308—C324	113.9 (13)	N306—C314—H314	118.0
C314—N306—Zn33	119.9 (7)	N306—C314—C315	124.0 (10)
C314—N306—C318	118.1 (10)	C315—C314—H314	118.0
C314—N306—Zn43	121.0 (8)	C316—C315—C314	117.5 (10)
C314—N306—Zn53	121.9 (12)	C316—C315—H315	121.2
C318—N306—Zn33	121.7 (7)	C314—C315—H315	121.2
C318—N306—Zn43	120.7 (7)	N305—C311—C310	123.4 (15)
C318—N306—Zn53	112.4 (10)	N305—C311—H311	118.3
C306—N303—C307	116.4 (9)	C310—C311—H311	118.3
C306—N302—C308	116.1 (8)	C316—C317—H317	121.1
C319—N307—Zn33	124.9 (10)	C316—C317—C318	117.9 (10)
C319—N307—C323	119.0 (10)	C318—C317—H317	121.1
C319—N307—Zn43	125.1 (10)	N305—C312—H312	120.9
C319—N307—Zn53	103.7 (10)	C313—C312—N305	118.2 (15)
C323—N307—Zn33	115.3 (7)	C313—C312—H312	120.9
C323—N307—Zn43	115.1 (7)	C334—C333—H333	120.9
C323—N307—Zn53	135.7 (8)	C334—C333—C332	118.1 (19)
C324—N309—C325	113.9 (14)	C332—C333—H333	120.9
C308—N304—C307	115.0 (8)	N301—C305—C304	123.6 (11)
C326—N310—C325	113.5 (11)	N301—C305—H305	118.2
C321—C320—H320	120.9	C304—C305—H305	118.2
C321—C320—C319	118.3 (12)	N312—C332—C333	121 (2)
C319—C320—H320	120.9	N312—C332—H332	119.6
C320—C321—C324	121.6 (11)	C333—C332—H332	119.6
C320—C321—C322	122.1 (11)	C327—C331—H331	125.3
C322—C321—C324	116.3 (14)	C327—C331—C330	109 (2)
N308—C324—C321	117.2 (12)	C330—C331—H331	125.3
N309—C324—N308	125.5 (12)	N306—C318—C317	123.6 (10)
N309—C324—C321	117.3 (15)	N306—C318—H318	118.2
N309—C325—C327	114.4 (15)	C317—C318—H318	118.2
N310—C325—N309	125.0 (12)	N312—C336—H336	118.6
N310—C325—C327	120.6 (11)	C335—C336—N312	123 (2)
N308—C326—C334	116.6 (13)	C335—C336—H336	118.6
N310—C326—N308	128.1 (17)	C309—C313—H313	118.9
N310—C326—C334	115.3 (12)	C312—C313—C309	122.1 (16)
C328—C327—C325	125.1 (13)	C312—C313—H313	118.9
C328—C327—C331	123.2 (16)	C334—C335—H335	120.2
C331—C327—C325	112 (2)	C336—C335—C334	120 (2)
N307—C319—C320	122.7 (14)	C336—C335—H335	120.2
N307—C319—H319	118.7	N311—C330—C331	127.3 (16)
C320—C319—H319	118.7	N311—C330—H330	116.4
N302—C308—C316	118.6 (9)	N311—C330—Zn51^iii	56.2 (15)
N304—C308—N302	124.4 (10)	C331—C330—H330	116.4
N304—C308—C316	116.8 (9)	C331—C330—Zn51^iii	167 (2)
Zn32^iv—N312—Zn42^iv	23.8 (3)	N306—Zn43—I405	103.9 (5)
C332—N312—Zn32^iv	122.0 (18)	N306—Zn43—I406	109.8 (5)
C332—N312—C336	120 (2)	N307—Zn43—N306	98.9 (4)
C332—N312—Zn42^iv	103.9 (17)	N307—Zn43—I405	103.8 (5)
C336—N312—Zn32^iv	118.2 (15)	N307—Zn43—I406	109.7 (4)
C336—N312—Zn42^iv	135.1 (14)	I405—Zn43—I406	127.1 (3)
N303—C307—N304	123.8 (8)	N311^i—Zn41—I402	105.0 (7)
N303—C307—C309	118.9 (10)	N311^i—Zn41—I401	106.7 (8)
N304—C307—C309	117.3 (10)	N301—Zn41—N311^i	97.8 (7)
C315—C316—C308	122.5 (9)	N301—Zn41—I402	102.5 (5)
C315—C316—C317	117.7 (11)	N301—Zn41—I401	110.2 (6)
C317—C316—C308	119.0 (9)	I402—Zn41—I401	129.9 (6)
N303—C306—N302	123.8 (9)	N311^i—Zn51—N301	90 (2)
N303—C306—C303	120.2 (10)	N311^i—Zn51—C330^i	34.7 (13)
N302—C306—C303	115.9 (9)	N311^i—Zn51—I502	126 (2)
C311—N305—Zn32	129.6 (10)	N311^i—Zn51—I501	92.9 (16)
C311—N305—C312	118.9 (11)	C330^i—Zn51—N301	95 (2)
C311—N305—Zn42	105.4 (10)	C330^i—Zn51—I502	94.5 (15)
C312—N305—Zn32	111.4 (9)	C330^i—Zn51—I501	128 (2)
C312—N305—Zn42	135.3 (10)	I502—Zn51—N301	120 (2)
C327—C328—H328	121.3	I502—Zn51—I501	132 (3)
C327—C328—C329	117.4 (16)	I501—Zn51—N301	82.2 (13)
C329—C328—H328	121.3	N312^ii—Zn42—I403	118.3 (5)
C321—C322—H322	122.2	N312^ii—Zn42—I404	96.2 (5)
C321—C322—C323	115.7 (14)	N305—Zn42—N312^ii	91.3 (7)
C323—C322—H322	122.2	N305—Zn42—I403	122.4 (5)
C301—N301—Zn31	121.1 (8)	N305—Zn42—I404	97.9 (5)
C301—N301—Zn41	113.3 (9)	I404—Zn42—I403	123.5 (4)
C301—N301—Zn51	128.4 (16)	N306—Zn53—N307	89.9 (11)
C305—N301—Zn31	119.5 (8)	N306—Zn53—I506	89.7 (7)
C305—N301—C301	119.3 (9)	N306—Zn53—I505	129.4 (11)
C305—N301—Zn41	126.0 (8)	N307—Zn53—I506	95.9 (7)
C305—N301—Zn51	109.1 (15)	N307—Zn53—I505	128.3 (10)
C333—C334—C326	118.2 (14)	I505—Zn53—I506	113.6 (11)
Zn33—N306—C314—C315	−169.7 (14)	C308—C316—C315—C314	179.2 (17)
Zn33—N306—C318—C317	170.0 (14)	C308—C316—C317—C318	−178.4 (16)
Zn33—N307—C319—C320	165.6 (8)	N312—C336—C335—C334	6 (4)
Zn33—N307—C323—C322	−167.3 (11)	C307—N303—C306—N302	1 (2)
Zn31^iii—N311—C329—C328	176.0 (12)	C307—N303—C306—C303	178.5 (15)
Zn31^iii—N311—C330—C331	179.3 (19)	C307—N304—C308—N302	7 (2)
Zn31—N301—C301—C302	172.9 (15)	C307—N304—C308—C316	−178.3 (15)
Zn31—N301—C305—C304	−176.4 (17)	C307—C309—C310—C311	176.9 (19)
Zn32^iv—N312—C332—C333	−173.8 (16)	C307—C309—C313—C312	179.1 (19)
Zn32^iv—N312—C336—C335	170.4 (18)	C316—C317—C318—N306	−3 (3)
Zn32—N305—C311—C310	175.6 (16)	C306—N303—C307—N304	5 (2)
Zn32—N305—C312—C313	179.7 (17)	C306—N303—C307—C309	−175.5 (15)
N308—C326—C334—C333	−12.2 (18)	C306—N302—C308—N304	−1 (2)
N308—C326—C334—C335	166.5 (16)	C306—N302—C308—C316	−176.5 (14)
N306—C314—C315—C316	3 (3)	C306—C303—C304—C305	177.9 (19)
N303—C307—C309—C310	−3 (3)	N305—C312—C313—C309	4 (3)
N303—C307—C309—C313	178.0 (18)	C328—C327—C331—C330	−6 (3)
N303—C306—C303—C302	−2 (3)	C322—C321—C324—N308	−1.1 (15)
N303—C306—C303—C304	176.6 (18)	C322—C321—C324—N309	−178.9 (10)
N302—C308—C316—C315	−4 (3)	C334—C333—C332—N312	1 (3)
N302—C308—C316—C317	−174.2 (16)	C302—C303—C304—C305	−4 (3)
N302—C306—C303—C302	176.4 (17)	C329—N311—C330—C331	1 (3)
N302—C306—C303—C304	−5 (3)	C329—N311—C330—Zn51^iii	−164 (2)
N309—C325—C327—C328	21.8 (16)	C303—C302—C301—N301	3 (3)
N309—C325—C327—C331	−159.2 (13)	C303—C304—C305—N301	3 (3)
N304—C308—C316—C315	−180.0 (17)	C301—N301—C305—C304	1 (3)
N304—C308—C316—C317	10 (3)	C301—C302—C303—C306	178.8 (18)
N304—C307—C309—C310	176.6 (19)	C301—C302—C303—C304	1 (3)
N304—C307—C309—C313	−3 (3)	C309—C310—C311—N305	5 (3)
N310—C325—C327—C328	−158.3 (13)	C323—N307—C319—C320	−3.9 (15)
N310—C325—C327—C331	20.8 (16)	C310—C309—C313—C312	0 (4)
N310—C326—C334—C333	166.7 (13)	C314—N306—C318—C317	−5 (3)
N310—C326—C334—C335	−15 (2)	C315—C316—C317—C318	11 (3)
C320—C321—C324—N308	176.9 (10)	C311—N305—C312—C313	−3 (3)
C320—C321—C324—N309	−0.9 (15)	C317—C316—C315—C314	−11 (3)
C320—C321—C322—C323	−1.2 (18)	C312—N305—C311—C310	−1 (3)
C321—C320—C319—N307	2.0 (15)	C333—C334—C335—C336	−4 (3)
C321—C322—C323—N307	−1 (2)	C305—N301—C301—C302	−4 (3)
C324—N308—C326—N310	0.0 (16)	C332—N312—C336—C335	−4 (3)
C324—N308—C326—C334	178.7 (10)	C331—C327—C328—C329	2 (2)
C324—N309—C325—N310	−3.1 (14)	C318—N306—C314—C315	5 (3)
C324—N309—C325—C327	176.8 (9)	C336—N312—C332—C333	1 (3)
C324—C321—C322—C323	176.7 (11)	C313—C309—C310—C311	−4 (3)
C325—N309—C324—N308	4.7 (15)	C335—C334—C333—C332	1 (3)
C325—N309—C324—C321	−177.6 (8)	C330—N311—C329—C328	−7 (2)
C325—N310—C326—N308	1.3 (16)	Zn43—N306—C314—C315	−170.3 (14)
C325—N310—C326—C334	−177.4 (9)	Zn43—N306—C318—C317	170.7 (14)
C325—C327—C328—C329	−178.6 (10)	Zn43—N307—C319—C320	165.5 (8)
C325—C327—C331—C330	174.6 (15)	Zn43—N307—C323—C322	−167.2 (11)
C326—N308—C324—N309	−3.3 (16)	Zn41^iii—N311—C329—C328	169.5 (12)
C326—N308—C324—C321	179.0 (9)	Zn41^iii—N311—C330—C331	−174.8 (17)
C326—N310—C325—N309	0.4 (14)	Zn41—N301—C301—C302	−171.5 (16)
C326—N310—C325—C327	−179.6 (9)	Zn41—N301—C305—C304	166.3 (17)
C326—C334—C333—C332	179.7 (17)	Zn51^iii—N311—C329—C328	−150 (4)
C326—C334—C335—C336	176.9 (18)	Zn51^iii—N311—C330—C331	165 (3)
C327—C328—C329—N311	5 (2)	Zn51—N301—C301—C302	153.6 (18)
C327—C331—C330—N311	5 (3)	Zn51—N301—C305—C304	−161 (2)
C327—C331—C330—Zn51^iii	106 (10)	Zn42^iv—N312—C332—C333	169.3 (19)
C319—N307—C323—C322	3.2 (18)	Zn42^iv—N312—C336—C335	−168.5 (17)
C319—C320—C321—C324	−177.2 (9)	Zn42—N305—C311—C310	−174.9 (18)
C319—C320—C321—C322	0.6 (16)	Zn42—N305—C312—C313	168.5 (17)
C308—N302—C306—N303	−3 (2)	Zn53—N306—C314—C315	−141.9 (15)
C308—N302—C306—C303	179.5 (15)	Zn53—N306—C318—C317	145.3 (16)
C308—N304—C307—N303	−9 (2)	Zn53—N307—C319—C320	163.7 (10)
C308—N304—C307—C309	172.1 (15)	Zn53—N307—C323—C322	−159.5 (13)

Symmetry codes: (i) x+1/2, −y+3/2, z+1/2; (ii) x, −y+2, z+1/2; (iii) x−1/2, −y+3/2, z−1/2; (iv) x, −y+2, z−1/2.

catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc (4_5_48b)

Crystal data

C36H24I6N12Zn3	F(000) = 5856
Mr = 1582.18	Dx = 1.384 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.3094 (9) Å	Cell parameters from 5596 reflections
b = 15.0823 (3) Å	θ = 2.6–66.0°
c = 29.8583 (10) Å	µ = 20.45 mm^−1
β = 100.538 (3)°	T = 100 K
V = 15190.0 (7) Å^3	Block, colourless
Z = 8	0.11 × 0.08 × 0.05 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	13821 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	8597 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.050
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −36→41
Absorption correction: analytical CrysAlisPro 1.171.41.122a (Rigaku Oxford Diffraction, 2021) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −18→14
Tmin = 0.211, Tmax = 0.491	l = −35→35
47451 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.051	H-atom parameters constrained
wR(F^2) = 0.156	w = 1/[σ^2(Fo^2) + (0.0851P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.05	(Δ/σ)max = 0.001
13821 reflections	Δρmax = 0.73 e Å^−3
614 parameters	Δρmin = −0.66 e Å^−3
21 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. No guests or solvent were identified from the electron density map, SQUEEZE has been applied to address the residual electron density within the pore. SQUEEZE analysis indicated one void with a volume of 863 Ang**3 and an electron count of 206. This is equivalent to 4.29 cyclohexane molecules or 1.58 BBA-8,12-OMe molecules.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I305	0.61889 (13)	1.2315 (3)	0.55322 (15)	0.1017 (10)	0.481 (19)
I306	0.52466 (6)	1.15562 (17)	0.63929 (8)	0.0734 (12)	0.481 (19)
I301	0.88140 (12)	−0.24051 (18)	0.42659 (16)	0.217 (3)	0.5392
Zn33	0.57899 (12)	1.1273 (4)	0.59376 (16)	0.0561 (13)	0.481 (19)
I404	0.62473 (8)	0.65594 (15)	0.19275 (9)	0.1155 (6)	0.4394
I302	0.84171 (7)	−0.0594 (5)	0.53180 (19)	0.201 (3)	0.5392
I403	0.73001 (8)	0.73295 (17)	0.29390 (11)	0.1299 (7)	0.4394
Zn41	0.86530 (19)	−0.0872 (4)	0.4569 (2)	0.133 (3)	0.5392
Zn42	0.66986 (13)	0.6369 (4)	0.26921 (18)	0.0940 (11)	0.4394
N305	0.61994 (13)	−0.0503 (3)	0.13986 (16)	0.0782 (15)
N312	0.56063 (14)	1.0242 (3)	0.54818 (17)	0.0713 (14)
N302	0.73296 (13)	0.1880 (3)	0.31545 (17)	0.0780 (14)
N308	0.56839 (16)	0.7768 (3)	0.43978 (18)	0.0764 (14)
N303	0.71923 (12)	0.0520 (3)	0.27587 (16)	0.0745 (14)
N309	0.53404 (17)	0.6424 (3)	0.4176 (2)	0.0851 (17)
N304	0.68187 (14)	0.1791 (3)	0.25013 (17)	0.0833 (16)
N310	0.51520 (14)	0.7319 (3)	0.47617 (15)	0.0768 (14)
N311	0.4155 (2)	0.4866 (4)	0.4567 (3)	0.107 (2)
C334	0.54800 (17)	0.8720 (4)	0.49570 (19)	0.0691 (16)
C327	0.47850 (18)	0.5981 (4)	0.4526 (2)	0.081 (2)
C335	0.52485 (17)	0.8914 (4)	0.5269 (2)	0.0727 (17)
H335	0.504007	0.852268	0.530702	0.087*
C326	0.54370 (19)	0.7875 (4)	0.4686 (2)	0.0739 (18)
N301	0.82608 (16)	−0.0304 (3)	0.4051 (2)	0.113 (2)
C336	0.53139 (16)	0.9678 (4)	0.55322 (19)	0.0730 (16)
H336	0.515071	0.980227	0.574947	0.088*
C325	0.51196 (19)	0.6605 (4)	0.4485 (2)	0.082 (2)
C307	0.69043 (16)	0.0948 (3)	0.2474 (2)	0.0740 (17)
N306	0.6865 (2)	0.5031 (3)	0.2782 (3)	0.118 (2)
C309	0.66725 (15)	0.0428 (3)	0.2094 (2)	0.0722 (16)
C308	0.70485 (16)	0.2247 (3)	0.2831 (2)	0.0751 (17)
C306	0.73807 (15)	0.1012 (3)	0.3105 (2)	0.0716 (16)
C310	0.67308 (18)	−0.0442 (4)	0.2032 (2)	0.089 (2)
H310	0.693847	−0.074394	0.222757	0.107*
C331	0.4634 (2)	0.5929 (4)	0.4896 (3)	0.099 (3)
H331	0.474227	0.627822	0.515341	0.118*
C303	0.76868 (16)	0.0558 (4)	0.3437 (2)	0.085 (2)
C311	0.64891 (19)	−0.0903 (4)	0.1685 (2)	0.092 (2)
H311	0.653172	−0.151934	0.165098	0.110*
C324	0.56254 (19)	0.7040 (4)	0.4148 (2)	0.083 (2)
C333	0.5763 (2)	0.9313 (5)	0.4898 (2)	0.092 (2)
H333	0.592410	0.920584	0.467645	0.111*
N307	0.6399 (3)	0.6550 (4)	0.3229 (3)	0.123 (2)
C332	0.5819 (2)	1.0087 (4)	0.5166 (3)	0.092 (2)
H332	0.601444	1.050469	0.511711	0.110*
C321	0.5883 (2)	0.6860 (4)	0.3832 (2)	0.086 (2)
C316	0.69865 (18)	0.3220 (4)	0.2842 (2)	0.0832 (18)
C304	0.79150 (19)	0.1022 (4)	0.3786 (2)	0.095 (2)
H304	0.787754	0.163964	0.382319	0.114*
C330	0.4310 (2)	0.5355 (4)	0.4918 (3)	0.101 (2)
H330	0.420442	0.532533	0.518981	0.121*
C302	0.77482 (19)	−0.0329 (4)	0.3408 (3)	0.111 (3)
H302	0.759476	−0.066890	0.317186	0.133*
C305	0.8204 (2)	0.0552 (4)	0.4083 (3)	0.111 (3)
H305	0.836745	0.086939	0.432030	0.133*
C315	0.7214 (2)	0.3766 (4)	0.3148 (3)	0.123 (3)
H315	0.741405	0.353418	0.338135	0.148*
C313	0.6385 (2)	0.0837 (4)	0.1783 (3)	0.122 (3)
H313	0.633825	0.145470	0.180636	0.146*
C329	0.4306 (3)	0.4928 (6)	0.4208 (4)	0.141 (4)
H329	0.418867	0.457675	0.395475	0.169*
C301	0.8034 (2)	−0.0728 (4)	0.3725 (3)	0.141 (4)
H301	0.806890	−0.135026	0.370493	0.170*
C312	0.6162 (2)	0.0346 (4)	0.1435 (3)	0.124 (3)
H312	0.597445	0.064691	0.121378	0.148*
C322	0.6223 (3)	0.7340 (5)	0.3850 (3)	0.116 (3)
H322	0.627917	0.780608	0.406596	0.139*
C314	0.7143 (3)	0.4683 (5)	0.3107 (4)	0.138 (4)
H314	0.729770	0.507016	0.331939	0.166*
C328	0.4631 (3)	0.5469 (6)	0.4150 (3)	0.132 (3)
H328	0.473420	0.547957	0.387624	0.159*
C320	0.5808 (3)	0.6220 (6)	0.3508 (4)	0.131 (3)
H320	0.557552	0.586712	0.348477	0.157*
C319	0.6066 (4)	0.6081 (7)	0.3215 (4)	0.148 (4)
H319	0.600617	0.563046	0.299047	0.177*
C318	0.6654 (3)	0.4513 (5)	0.2503 (3)	0.142 (4)
H318	0.645074	0.476189	0.227978	0.171*
C323	0.6486 (3)	0.7172 (5)	0.3565 (4)	0.126 (3)
H323	0.672912	0.748826	0.360175	0.151*
C317	0.6706 (3)	0.3598 (4)	0.2507 (3)	0.123 (3)
H317	0.655030	0.323841	0.228175	0.148*
I401	0.88100 (12)	−0.2383 (3)	0.4189 (3)	0.205 (3)	0.4014
Zn	0.8665 (2)	−0.0954 (5)	0.4559 (3)	0.138 (5)	0.4014
I402	0.84124 (16)	−0.0648 (6)	0.5286 (3)	0.219 (4)	0.4014
I405	0.61509 (9)	1.2403 (2)	0.55940 (18)	0.0962 (9)	0.519 (19)
Zn43	0.57935 (17)	1.1199 (5)	0.5963 (2)	0.103 (3)	0.519 (19)
I406	0.52274 (12)	1.1511 (3)	0.63687 (13)	0.151 (3)	0.519 (19)
I304	0.64557 (13)	0.67624 (16)	0.20412 (10)	0.2343 (18)	0.5154
Zn32	0.68354 (16)	0.6406 (3)	0.28336 (19)	0.151 (2)	0.5154
I303	0.74715 (9)	0.71626 (15)	0.31842 (14)	0.2098 (15)	0.5154
I501	0.9013 (4)	−0.2306 (6)	0.3907 (3)	0.080*	0.0594
I502	0.8506 (4)	−0.1148 (6)	0.5072 (3)	0.080*	0.0594
Zn51	0.8778 (6)	−0.1074 (17)	0.4338 (7)	0.080*	0.0594
I503	0.7620 (3)	0.6889 (8)	0.3547 (3)	0.080*	0.0453
I504	0.6776 (3)	0.7097 (8)	0.2281 (3)	0.080*	0.0453
Zn52	0.6965 (8)	0.644 (2)	0.3082 (8)	0.080*	0.0453

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I305	0.158 (3)	0.0490 (11)	0.0920 (14)	−0.0218 (12)	0.0065 (14)	−0.0013 (8)
I306	0.0695 (16)	0.0739 (14)	0.0703 (12)	0.0142 (10)	−0.0045 (8)	0.0097 (8)
I301	0.213 (3)	0.0450 (10)	0.300 (3)	0.0115 (11)	−0.196 (3)	−0.0040 (14)
Zn33	0.056 (2)	0.0372 (17)	0.0653 (19)	0.0010 (13)	−0.0160 (16)	−0.0007 (13)
I404	0.1726 (13)	0.0523 (7)	0.1075 (9)	0.0138 (7)	−0.0111 (9)	0.0081 (6)
I302	0.0902 (13)	0.302 (6)	0.185 (4)	−0.0342 (17)	−0.0449 (15)	0.142 (4)
I403	0.1310 (13)	0.0515 (9)	0.2044 (19)	−0.0165 (8)	0.0234 (11)	−0.0397 (9)
Zn41	0.115 (4)	0.084 (3)	0.160 (5)	−0.032 (2)	−0.082 (3)	0.060 (3)
Zn42	0.1117 (16)	0.0362 (14)	0.123 (2)	0.0067 (11)	−0.0083 (15)	−0.0096 (13)
N305	0.077 (3)	0.038 (2)	0.100 (3)	0.000 (2)	−0.035 (2)	0.000 (2)
N312	0.070 (3)	0.049 (2)	0.081 (3)	−0.005 (2)	−0.022 (3)	−0.001 (2)
N302	0.075 (3)	0.038 (2)	0.104 (3)	−0.008 (2)	−0.029 (2)	0.001 (2)
N308	0.080 (3)	0.053 (3)	0.082 (3)	0.002 (2)	−0.021 (3)	−0.003 (2)
N303	0.060 (2)	0.041 (2)	0.105 (3)	0.0003 (18)	−0.034 (2)	0.002 (2)
N309	0.086 (3)	0.052 (3)	0.097 (3)	0.008 (3)	−0.036 (3)	−0.013 (3)
N304	0.086 (3)	0.034 (2)	0.108 (3)	−0.001 (2)	−0.040 (3)	0.003 (2)
N310	0.079 (3)	0.054 (3)	0.079 (3)	0.000 (2)	−0.033 (2)	−0.006 (2)
N311	0.093 (4)	0.071 (4)	0.131 (5)	−0.010 (3)	−0.048 (4)	0.009 (4)
C334	0.073 (3)	0.051 (3)	0.071 (3)	−0.007 (3)	−0.020 (3)	−0.003 (3)
C327	0.080 (4)	0.047 (3)	0.094 (4)	0.001 (3)	−0.041 (4)	0.000 (3)
C335	0.067 (3)	0.049 (3)	0.086 (4)	−0.005 (2)	−0.028 (3)	0.002 (3)
C326	0.068 (3)	0.056 (3)	0.082 (4)	−0.005 (3)	−0.027 (3)	−0.004 (3)
N301	0.089 (3)	0.057 (3)	0.157 (5)	−0.025 (3)	−0.067 (4)	0.031 (3)
C336	0.064 (3)	0.064 (3)	0.078 (3)	0.003 (3)	−0.022 (3)	0.004 (3)
C325	0.082 (4)	0.046 (3)	0.096 (4)	−0.001 (3)	−0.043 (4)	−0.004 (3)
C307	0.070 (3)	0.041 (3)	0.095 (4)	−0.006 (2)	−0.028 (3)	0.004 (3)
N306	0.148 (6)	0.035 (3)	0.164 (6)	0.012 (3)	0.013 (5)	−0.001 (3)
C309	0.063 (3)	0.043 (3)	0.095 (4)	−0.005 (2)	−0.026 (3)	0.005 (3)
C308	0.065 (3)	0.046 (3)	0.104 (4)	−0.002 (2)	−0.013 (3)	−0.001 (3)
C306	0.062 (3)	0.041 (3)	0.098 (4)	−0.004 (2)	−0.022 (3)	0.002 (2)
C310	0.084 (4)	0.045 (3)	0.113 (4)	0.010 (3)	−0.047 (3)	−0.006 (3)
C331	0.101 (5)	0.052 (4)	0.117 (5)	−0.020 (3)	−0.050 (4)	0.010 (4)
C303	0.075 (3)	0.044 (3)	0.112 (4)	−0.009 (3)	−0.042 (3)	0.004 (3)
C311	0.104 (4)	0.046 (3)	0.101 (4)	0.003 (3)	−0.048 (4)	−0.003 (3)
C324	0.080 (4)	0.061 (4)	0.093 (4)	0.014 (3)	−0.029 (4)	−0.009 (3)
C333	0.098 (4)	0.082 (5)	0.092 (4)	−0.022 (4)	0.004 (4)	−0.018 (3)
N307	0.189 (8)	0.051 (3)	0.132 (5)	0.028 (4)	0.036 (5)	−0.001 (3)
C332	0.097 (5)	0.070 (4)	0.103 (5)	−0.030 (4)	0.003 (4)	−0.020 (4)
C321	0.100 (4)	0.058 (4)	0.087 (4)	0.009 (3)	−0.019 (4)	0.002 (3)
C316	0.087 (4)	0.041 (3)	0.111 (4)	0.001 (3)	−0.010 (3)	−0.001 (3)
C304	0.098 (4)	0.052 (3)	0.111 (4)	−0.020 (3)	−0.047 (4)	0.018 (3)
C330	0.090 (4)	0.064 (4)	0.124 (5)	−0.004 (3)	−0.045 (4)	0.004 (4)
C302	0.094 (4)	0.038 (3)	0.165 (6)	−0.009 (3)	−0.073 (4)	0.006 (3)
C305	0.103 (4)	0.058 (4)	0.136 (5)	−0.023 (3)	−0.073 (4)	0.018 (4)
C315	0.112 (5)	0.042 (3)	0.190 (8)	0.002 (3)	−0.038 (5)	−0.020 (4)
C313	0.126 (5)	0.042 (3)	0.156 (6)	0.016 (3)	−0.086 (5)	−0.015 (4)
C329	0.127 (7)	0.098 (6)	0.166 (9)	−0.053 (5)	−0.057 (7)	−0.041 (6)
C301	0.108 (5)	0.049 (3)	0.217 (9)	−0.007 (3)	−0.101 (6)	0.005 (4)
C312	0.132 (6)	0.045 (3)	0.151 (6)	0.002 (3)	−0.086 (5)	0.006 (4)
C322	0.151 (8)	0.067 (5)	0.126 (6)	−0.020 (5)	0.016 (6)	−0.022 (4)
C314	0.133 (7)	0.061 (5)	0.207 (10)	−0.022 (5)	−0.006 (7)	−0.041 (6)
C328	0.129 (6)	0.107 (6)	0.142 (7)	−0.035 (5)	−0.024 (5)	−0.044 (5)
C320	0.138 (7)	0.096 (6)	0.155 (8)	−0.007 (6)	0.018 (7)	−0.043 (6)
C319	0.190 (10)	0.083 (6)	0.178 (10)	−0.025 (7)	0.052 (9)	−0.041 (6)
C318	0.198 (10)	0.054 (4)	0.152 (7)	0.032 (5)	−0.029 (7)	−0.017 (5)
C323	0.133 (7)	0.068 (5)	0.178 (9)	−0.013 (5)	0.029 (7)	−0.011 (5)
C317	0.174 (8)	0.044 (3)	0.126 (6)	0.022 (4)	−0.042 (5)	−0.003 (3)
I401	0.108 (2)	0.0699 (19)	0.373 (6)	−0.0139 (12)	−0.121 (3)	0.061 (2)
Zn	0.081 (4)	0.051 (3)	0.236 (10)	−0.016 (2)	−0.097 (5)	0.029 (4)
I402	0.202 (4)	0.226 (5)	0.177 (4)	−0.101 (4)	−0.100 (3)	0.109 (4)
I405	0.0856 (13)	0.0425 (8)	0.140 (2)	0.0020 (7)	−0.0321 (11)	−0.0039 (9)
Zn43	0.121 (4)	0.048 (2)	0.110 (3)	0.0125 (19)	−0.060 (3)	−0.0041 (18)
I406	0.169 (4)	0.129 (3)	0.128 (2)	0.066 (2)	−0.043 (2)	−0.0159 (18)
I304	0.453 (6)	0.0925 (17)	0.187 (3)	0.132 (3)	0.136 (3)	0.0682 (15)
Zn32	0.266 (7)	0.0305 (13)	0.179 (4)	0.014 (3)	0.098 (5)	−0.001 (3)
I303	0.231 (3)	0.0636 (12)	0.378 (5)	−0.0559 (17)	0.168 (3)	−0.083 (2)

Geometric parameters (Å, º)

I305—Zn33	2.533 (5)	C310—H310	0.9500
I306—Zn33	2.536 (4)	C310—C311	1.389 (7)
I301—Zn41	2.579 (7)	C331—H331	0.9500
Zn33—N305^i	2.124 (7)	C331—C330	1.419 (10)
Zn33—N312	2.087 (6)	C303—C304	1.375 (7)
I404—Zn42	2.530 (4)	C303—C302	1.359 (8)
I302—Zn41	2.549 (7)	C311—H311	0.9500
I403—Zn42	2.518 (5)	C324—C321	1.432 (10)
Zn41—N311^ii	2.051 (10)	C333—H333	0.9500
Zn41—N301	2.043 (6)	C333—C332	1.407 (9)
Zn42—N306	2.101 (7)	N307—C319	1.336 (13)
Zn42—N307	2.077 (10)	N307—C323	1.365 (12)
N305—C311	1.331 (6)	N307—Zn32	2.083 (10)
N305—C312	1.294 (7)	N307—Zn52	2.08 (3)
N305—Zn43^iii	2.018 (7)	C332—H332	0.9500
N312—C336	1.344 (8)	C321—C322	1.366 (12)
N312—C332	1.316 (9)	C321—C320	1.358 (11)
N312—Zn43	2.055 (7)	C316—C315	1.364 (9)
N302—C308	1.352 (6)	C316—C317	1.378 (9)
N302—C306	1.332 (7)	C304—H304	0.9500
N308—C326	1.323 (8)	C304—C305	1.396 (7)
N308—C324	1.321 (8)	C330—H330	0.9500
N303—C307	1.344 (6)	C302—H302	0.9500
N303—C306	1.339 (6)	C302—C301	1.372 (8)
N309—C325	1.324 (9)	C305—H305	0.9500
N309—C324	1.362 (9)	C315—H315	0.9500
N304—C307	1.310 (6)	C315—C314	1.406 (10)
N304—C308	1.335 (7)	C313—H313	0.9500
N310—C326	1.339 (9)	C313—C312	1.385 (8)
N310—C325	1.349 (8)	C329—H329	0.9500
N311—C330	1.310 (9)	C329—C328	1.418 (15)
N311—C329	1.277 (13)	C329—Zn51^iv	2.44 (3)
N311—Zn^iv	2.084 (10)	C301—H301	0.9500
N311—Zn51^iv	1.96 (2)	C312—H312	0.9500
C334—C335	1.362 (9)	C322—H322	0.9500
C334—C326	1.503 (8)	C322—C323	1.371 (13)
C334—C333	1.355 (9)	C314—H314	0.9500
C327—C325	1.506 (10)	C328—H328	0.9500
C327—C331	1.306 (11)	C320—H320	0.9500
C327—C328	1.384 (9)	C320—C319	1.373 (15)
C335—H335	0.9500	C319—H319	0.9500
C335—C336	1.389 (8)	C318—H318	0.9500
N301—C305	1.312 (8)	C318—C317	1.391 (9)
N301—C301	1.297 (8)	C323—H323	0.9500
N301—Zn	2.101 (8)	C317—H317	0.9500
N301—Zn51	2.16 (2)	I401—Zn	2.512 (9)
C336—H336	0.9500	Zn—I402	2.522 (11)
C307—C309	1.487 (7)	I405—Zn43	2.551 (7)
N306—C314	1.337 (11)	Zn43—I406	2.514 (7)
N306—C318	1.269 (10)	I304—Zn32	2.541 (6)
N306—Zn32	2.083 (7)	Zn32—I303	2.515 (6)
N306—Zn52	2.31 (3)	I501—Zn51	2.48 (2)
C309—C310	1.345 (7)	I502—Zn51	2.54 (2)
C309—C313	1.371 (7)	I503—Zn52	2.51 (3)
C308—C316	1.483 (7)	I504—Zn52	2.56 (3)
C306—C303	1.474 (6)
I305—Zn33—I306	131.8 (3)	C319—N307—Zn42	116.4 (7)
N305^i—Zn33—I305	107.3 (2)	C319—N307—C323	117.4 (10)
N305^i—Zn33—I306	102.0 (3)	C319—N307—Zn32	128.6 (7)
N312—Zn33—I305	106.0 (3)	C319—N307—Zn52	141.1 (11)
N312—Zn33—I306	108.1 (2)	C323—N307—Zn42	125.8 (8)
N312—Zn33—N305^i	95.7 (3)	C323—N307—Zn32	113.9 (8)
I302—Zn41—I301	125.3 (3)	C323—N307—Zn52	96.9 (10)
N311^ii—Zn41—I301	104.6 (4)	N312—C332—C333	121.2 (6)
N311^ii—Zn41—I302	108.3 (4)	N312—C332—H332	119.4
N301—Zn41—I301	105.3 (3)	C333—C332—H332	119.4
N301—Zn41—I302	108.9 (4)	C322—C321—C324	120.0 (7)
N301—Zn41—N311^ii	102.0 (3)	C320—C321—C324	123.0 (8)
I403—Zn42—I404	122.2 (3)	C320—C321—C322	117.0 (9)
N306—Zn42—I404	109.4 (3)	C315—C316—C308	123.0 (5)
N306—Zn42—I403	109.0 (3)	C315—C316—C317	118.3 (6)
N307—Zn42—I404	112.0 (3)	C317—C316—C308	118.5 (5)
N307—Zn42—I403	101.2 (3)	C303—C304—H304	121.2
N307—Zn42—N306	100.9 (4)	C303—C304—C305	117.6 (6)
C311—N305—Zn33^iii	119.8 (4)	C305—C304—H304	121.2
C311—N305—Zn43^iii	121.6 (4)	N311—C330—C331	120.9 (9)
C312—N305—Zn33^iii	122.2 (3)	N311—C330—H330	119.5
C312—N305—C311	117.9 (4)	C331—C330—H330	119.5
C312—N305—Zn43^iii	120.2 (4)	C303—C302—H302	120.4
C336—N312—Zn33	122.8 (5)	C303—C302—C301	119.2 (5)
C336—N312—Zn43	120.7 (5)	C301—C302—H302	120.4
C332—N312—Zn33	117.3 (4)	N301—C305—C304	123.5 (5)
C332—N312—C336	119.4 (5)	N301—C305—H305	118.2
C332—N312—Zn43	118.9 (4)	C304—C305—H305	118.2
C306—N302—C308	114.5 (4)	C316—C315—H315	121.1
C324—N308—C326	114.7 (6)	C316—C315—C314	117.8 (7)
C306—N303—C307	114.6 (4)	C314—C315—H315	121.1
C325—N309—C324	114.2 (5)	C309—C313—H313	120.1
C307—N304—C308	115.9 (4)	C309—C313—C312	119.8 (5)
C326—N310—C325	112.2 (6)	C312—C313—H313	120.1
Zn41^iv—N311—Zn^iv	3.7 (4)	N311—C329—H329	116.8
C330—N311—Zn41^iv	121.5 (8)	N311—C329—C328	126.3 (8)
C330—N311—Zn^iv	123.6 (8)	N311—C329—Zn51^iv	52.9 (7)
C330—N311—Zn51^iv	146.5 (10)	C328—C329—H329	116.8
C329—N311—Zn41^iv	120.7 (5)	C328—C329—Zn51^iv	176.1 (10)
C329—N311—C330	117.5 (7)	N301—C301—C302	123.8 (6)
C329—N311—Zn^iv	118.9 (6)	N301—C301—H301	118.1
C329—N311—Zn51^iv	95.8 (8)	C302—C301—H301	118.1
C335—C334—C326	122.6 (6)	N305—C312—C313	122.9 (5)
C333—C334—C335	118.0 (6)	N305—C312—H312	118.6
C333—C334—C326	119.5 (7)	C313—C312—H312	118.6
C331—C327—C325	122.1 (6)	C321—C322—H322	118.9
C331—C327—C328	119.9 (7)	C321—C322—C323	122.2 (8)
C328—C327—C325	117.9 (8)	C323—C322—H322	118.9
C334—C335—H335	119.6	N306—C314—C315	122.7 (7)
C334—C335—C336	120.7 (6)	N306—C314—H314	118.7
C336—C335—H335	119.6	C315—C314—H314	118.7
N308—C326—N310	127.4 (6)	C327—C328—C329	114.6 (10)
N308—C326—C334	116.2 (6)	C327—C328—H328	122.7
N310—C326—C334	116.3 (7)	C329—C328—H328	122.7
C305—N301—Zn41	116.4 (4)	C321—C320—H320	119.9
C305—N301—Zn	119.7 (4)	C321—C320—C319	120.2 (10)
C305—N301—Zn51	128.6 (7)	C319—C320—H320	119.9
C301—N301—Zn41	125.6 (5)	N307—C319—C320	123.1 (9)
C301—N301—C305	117.5 (5)	N307—C319—H319	118.5
C301—N301—Zn	122.5 (5)	C320—C319—H319	118.5
C301—N301—Zn51	111.5 (7)	N306—C318—H318	118.4
N312—C336—C335	120.5 (6)	N306—C318—C317	123.3 (8)
N312—C336—H336	119.7	C317—C318—H318	118.4
C335—C336—H336	119.7	N307—C323—C322	120.1 (9)
N309—C325—N310	126.7 (6)	N307—C323—H323	120.0
N309—C325—C327	117.9 (6)	C322—C323—H323	120.0
N310—C325—C327	115.3 (8)	C316—C317—C318	119.3 (7)
N303—C307—C309	117.2 (4)	C316—C317—H317	120.4
N304—C307—N303	125.1 (4)	C318—C317—H317	120.4
N304—C307—C309	117.7 (4)	N311^ii—Zn—N301	99.0 (4)
C314—N306—Zn42	127.7 (6)	N311^ii—Zn—I401	106.9 (5)
C314—N306—Zn32	112.1 (6)	N311^ii—Zn—I402	106.5 (4)
C314—N306—Zn52	92.6 (8)	N301—Zn—I401	104.0 (4)
C318—N306—Zn42	113.5 (6)	N301—Zn—I402	104.5 (4)
C318—N306—C314	118.7 (6)	I401—Zn—I402	131.4 (5)
C318—N306—Zn32	129.2 (6)	N305^i—Zn43—N312	100.1 (3)
C318—N306—Zn52	148.1 (8)	N305^i—Zn43—I405	108.6 (3)
C310—C309—C307	123.2 (4)	N305^i—Zn43—I406	106.8 (3)
C310—C309—C313	117.0 (5)	N312—Zn43—I405	108.2 (3)
C313—C309—C307	119.9 (5)	N312—Zn43—I406	107.3 (3)
N302—C308—C316	118.4 (4)	I406—Zn43—I405	123.4 (3)
N304—C308—N302	124.3 (5)	N306—Zn32—N307	101.3 (4)
N304—C308—C316	117.3 (4)	N306—Zn32—I304	99.5 (3)
N302—C306—N303	125.1 (4)	N306—Zn32—I303	115.6 (3)
N302—C306—C303	118.3 (4)	N307—Zn32—I304	101.9 (3)
N303—C306—C303	116.4 (4)	N307—Zn32—I303	112.1 (3)
C309—C310—H310	119.8	I303—Zn32—I304	123.3 (2)
C309—C310—C311	120.4 (4)	N311^ii—Zn51—N301	101.0 (11)
C311—C310—H310	119.8	N311^ii—Zn51—C329^ii	31.3 (5)
C327—C331—H331	119.6	N311^ii—Zn51—I501	117.9 (10)
C327—C331—C330	120.7 (7)	N311^ii—Zn51—I502	93.0 (9)
C330—C331—H331	119.6	N301—Zn51—C329^ii	100.6 (10)
C304—C303—C306	120.6 (5)	N301—Zn51—I501	121.3 (9)
C302—C303—C306	121.0 (4)	N301—Zn51—I502	87.7 (8)
C302—C303—C304	118.3 (5)	C329^ii—Zn51—I501	93.5 (8)
N305—C311—C310	121.8 (5)	C329^ii—Zn51—I502	124.4 (10)
N305—C311—H311	119.1	I501—Zn51—I502	128.4 (11)
C310—C311—H311	119.1	N306—Zn52—I503	121.0 (12)
N308—C324—N309	124.7 (8)	N306—Zn52—I504	89.9 (8)
N308—C324—C321	118.7 (7)	N307—Zn52—N306	94.4 (11)
N309—C324—C321	116.6 (6)	N307—Zn52—I503	129.9 (12)
C334—C333—H333	120.0	N307—Zn52—I504	94.7 (9)
C334—C333—C332	120.0 (7)	I503—Zn52—I504	117.5 (12)
C332—C333—H333	120.0
Zn33^iii—N305—C311—C310	−171.3 (6)	C306—N303—C307—N304	4.1 (10)
Zn33^iii—N305—C312—C313	168.9 (8)	C306—N303—C307—C309	−177.5 (6)
Zn33—N312—C336—C335	−168.7 (4)	C306—C303—C304—C305	−178.9 (7)
Zn33—N312—C332—C333	168.3 (5)	C306—C303—C302—C301	−179.6 (8)
Zn41^iv—N311—C330—C331	−173.8 (5)	C310—C309—C313—C312	2.0 (13)
Zn41^iv—N311—C329—C328	174.6 (8)	C331—C327—C325—N309	157.9 (6)
Zn41—N301—C305—C304	−172.7 (7)	C331—C327—C325—N310	−24.5 (7)
Zn41—N301—C301—C302	173.6 (8)	C331—C327—C328—C329	1.1 (11)
Zn42—N306—C314—C315	176.4 (8)	C303—C304—C305—N301	−1.6 (13)
Zn42—N306—C318—C317	−178.4 (10)	C303—C302—C301—N301	−1.5 (16)
Zn42—N307—C319—C320	−170.5 (9)	C311—N305—C312—C313	−6.3 (14)
Zn42—N307—C323—C322	167.4 (7)	C324—N308—C326—N310	2.9 (7)
N302—C308—C316—C315	3.6 (11)	C324—N308—C326—C334	−176.7 (4)
N302—C308—C316—C317	178.5 (8)	C324—N309—C325—N310	0.1 (7)
N302—C306—C303—C304	−0.5 (10)	C324—N309—C325—C327	177.3 (4)
N302—C306—C303—C302	178.9 (7)	C324—C321—C322—C323	177.7 (8)
N308—C324—C321—C322	11.9 (9)	C324—C321—C320—C319	179.9 (9)
N308—C324—C321—C320	−168.3 (7)	C333—C334—C335—C336	−2.8 (7)
N303—C307—C309—C310	2.0 (10)	C333—C334—C326—N308	−0.5 (7)
N303—C307—C309—C313	−177.6 (7)	C333—C334—C326—N310	179.9 (5)
N303—C306—C303—C304	175.5 (7)	C332—N312—C336—C335	3.2 (7)
N303—C306—C303—C302	−5.2 (10)	C321—C322—C323—N307	4.8 (14)
N309—C324—C321—C322	−166.5 (6)	C321—C320—C319—N307	0.2 (17)
N309—C324—C321—C320	13.3 (9)	C316—C315—C314—N306	−0.4 (17)
N304—C307—C309—C310	−179.5 (7)	C304—C303—C302—C301	−0.2 (13)
N304—C307—C309—C313	0.9 (10)	C330—N311—C329—C328	0.9 (15)
N304—C308—C316—C315	−176.8 (8)	C330—N311—C329—Zn51^iv	176.1 (11)
N304—C308—C316—C317	−1.8 (11)	C302—C303—C304—C305	1.7 (12)
N311—C329—C328—C327	−1.3 (15)	C305—N301—C301—C302	1.7 (15)
C334—C335—C336—N312	0.3 (7)	C315—C316—C317—C318	−2.5 (15)
C334—C333—C332—N312	1.5 (10)	C313—C309—C310—C311	−4.1 (11)
C327—C331—C330—N311	0.0 (10)	C329—N311—C330—C331	−0.1 (11)
C335—C334—C326—N308	−179.4 (4)	C301—N301—C305—C304	−0.1 (14)
C335—C334—C326—N310	1.0 (7)	C312—N305—C311—C310	4.0 (12)
C335—C334—C333—C332	2.0 (9)	C322—C321—C320—C319	−0.4 (13)
C326—N308—C324—N309	−0.7 (7)	C314—N306—C318—C317	−2.5 (18)
C326—N308—C324—C321	−178.9 (5)	C328—C327—C325—N309	−23.6 (8)
C326—N310—C325—N309	1.6 (7)	C328—C327—C325—N310	153.9 (6)
C326—N310—C325—C327	−175.7 (4)	C328—C327—C331—C330	−0.5 (10)
C326—C334—C335—C336	176.0 (4)	C320—C321—C322—C323	−2.1 (12)
C326—C334—C333—C332	−176.9 (5)	C319—N307—C323—C322	−4.7 (13)
C336—N312—C332—C333	−4.0 (9)	C318—N306—C314—C315	1.1 (17)
C325—N309—C324—N308	−0.6 (7)	C323—N307—C319—C320	2.4 (16)
C325—N309—C324—C321	177.6 (5)	C317—C316—C315—C314	1.2 (14)
C325—N310—C326—N308	−3.3 (7)	Zn^iv—N311—C330—C331	−177.4 (5)
C325—N310—C326—C334	176.3 (4)	Zn^iv—N311—C329—C328	178.2 (8)
C325—C327—C331—C330	177.9 (5)	Zn—N301—C305—C304	−173.7 (7)
C325—C327—C328—C329	−177.4 (7)	Zn—N301—C301—C302	175.2 (9)
C307—N303—C306—N302	−7.0 (9)	Zn43^iii—N305—C311—C310	−169.8 (6)
C307—N303—C306—C303	177.4 (6)	Zn43^iii—N305—C312—C313	167.6 (8)
C307—N304—C308—N302	−6.5 (10)	Zn43—N312—C336—C335	−165.2 (4)
C307—N304—C308—C316	173.9 (6)	Zn43—N312—C332—C333	164.6 (5)
C307—C309—C310—C311	176.3 (7)	Zn32—N306—C314—C315	178.8 (9)
C307—C309—C313—C312	−178.4 (8)	Zn32—N306—C318—C317	−179.8 (9)
N306—C318—C317—C316	3.3 (18)	Zn32—N307—C319—C320	177.3 (8)
C309—C310—C311—N305	1.2 (12)	Zn32—N307—C323—C322	179.6 (7)
C309—C313—C312—N305	3.4 (16)	Zn51^iv—N311—C330—C331	172.8 (14)
C308—N302—C306—N303	3.2 (9)	Zn51^iv—N311—C329—C328	−175.2 (12)
C308—N302—C306—C303	178.8 (6)	Zn51—N301—C305—C304	160.7 (10)
C308—N304—C307—N303	2.2 (10)	Zn51—N301—C301—C302	−162.3 (11)
C308—N304—C307—C309	−176.2 (6)	Zn52—N306—C314—C315	174.3 (12)
C308—C316—C315—C314	176.2 (9)	Zn52—N306—C318—C317	−169.7 (16)
C308—C316—C317—C318	−177.7 (9)	Zn52—N307—C319—C320	151.4 (13)
C306—N302—C308—N304	3.9 (10)	Zn52—N307—C323—C322	−165.8 (11)
C306—N302—C308—C316	−176.5 (6)

Symmetry codes: (i) x, −y+1, z+1/2; (ii) x+1/2, y−1/2, z; (iii) x, −y+1, z−1/2; (iv) x−1/2, y+1/2, z.

catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc cyclohexane solvate (4_5_48c)

Crystal data

C37.024H26.049I6N12Zn3·0.23(C6H12)	F(000) = 6010
Mr = 1615.89	Dx = 1.423 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.3373 (11) Å	Cell parameters from 8602 reflections
b = 15.0894 (3) Å	θ = 2.6–73.9°
c = 29.5872 (11) Å	µ = 20.61 mm^−1
β = 100.291 (3)°	T = 100 K
V = 15083.4 (8) Å^3	Block, colourless
Z = 8	0.21 × 0.11 × 0.06 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	13605 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	9808 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.035
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −40→41
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −18→9
Tmin = 0.149, Tmax = 0.410	l = −35→34
44524 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.075	H-atom parameters constrained
wR(F^2) = 0.253	w = 1/[σ^2(Fo^2) + (0.1664P)^2 + 23.4188P] where P = (Fo^2 + 2Fc^2)/3
S = 1.05	(Δ/σ)max = 0.001
13605 reflections	Δρmax = 1.49 e Å^−3
733 parameters	Δρmin = −0.92 e Å^−3
251 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I303	0.61502 (9)	−0.23823 (17)	0.05329 (11)	0.0750 (5)	0.5736
I304	0.52522 (8)	−0.1550 (2)	0.13984 (7)	0.0799 (6)	0.5736
I302	0.8771 (2)	−0.2365 (4)	0.4333 (4)	0.219 (4)	0.5378
I406	0.62497 (9)	0.65580 (17)	0.19165 (10)	0.1066 (7)	0.475 (3)
Zn32	0.57973 (15)	−0.1258 (4)	0.09438 (18)	0.0594 (9)	0.5736
I405	0.73014 (9)	0.7318 (2)	0.29477 (14)	0.1205 (9)	0.475 (3)
I301	0.83866 (12)	−0.0421 (3)	0.53720 (15)	0.171 (2)	0.5378
Zn31	0.8633 (3)	−0.0844 (6)	0.4630 (3)	0.122 (2)	0.5378
Zn43	0.66971 (14)	0.6373 (4)	0.26889 (17)	0.0843 (11)	0.475 (3)
N312	0.56042 (19)	1.0242 (4)	0.5492 (2)	0.0713 (15)
N308	0.5661 (2)	0.7773 (4)	0.4400 (2)	0.0802 (18)
N305	0.6200 (2)	−0.0507 (4)	0.1408 (2)	0.0812 (18)
N302	0.73231 (19)	0.1894 (4)	0.3166 (2)	0.0779 (17)
N303	0.71890 (18)	0.0528 (4)	0.2772 (2)	0.0788 (18)
N309	0.5333 (2)	0.6436 (4)	0.4181 (3)	0.086 (2)
N304	0.68188 (19)	0.1803 (4)	0.2510 (3)	0.0800 (18)
N310	0.5139 (2)	0.7330 (4)	0.4768 (2)	0.0787 (18)
N311	0.4153 (3)	0.4862 (6)	0.4583 (4)	0.115 (3)
C335	0.5239 (2)	0.8914 (5)	0.5289 (3)	0.0722 (19)
H335	0.503379	0.852260	0.533690	0.087*
C326	0.5426 (2)	0.7889 (5)	0.4693 (3)	0.073 (2)
C334	0.5470 (2)	0.8719 (5)	0.4968 (3)	0.0729 (19)
C327	0.4780 (3)	0.5992 (5)	0.4536 (3)	0.083 (2)
N301	0.8256 (3)	−0.0291 (5)	0.4079 (4)	0.127 (4)
C308	0.7048 (2)	0.2247 (5)	0.2843 (3)	0.079 (2)
C336	0.5309 (2)	0.9686 (5)	0.5541 (3)	0.0719 (18)
H336	0.514275	0.982856	0.575569	0.086*
N306	0.6863 (3)	0.5026 (5)	0.2788 (4)	0.120 (3)
C325	0.5106 (3)	0.6610 (5)	0.4495 (3)	0.081 (2)
C309	0.6673 (2)	0.0431 (4)	0.2102 (3)	0.074 (2)
C307	0.6909 (2)	0.0939 (5)	0.2483 (3)	0.077 (2)
C333	0.5761 (3)	0.9330 (6)	0.4897 (3)	0.089 (2)
H333	0.592038	0.923753	0.467002	0.106*
C311	0.6495 (3)	−0.0905 (5)	0.1690 (3)	0.089 (3)
H311	0.654091	−0.151882	0.165104	0.107*
C324	0.5613 (3)	0.7031 (6)	0.4151 (3)	0.084 (2)
C316	0.6995 (3)	0.3221 (5)	0.2847 (3)	0.084 (2)
C310	0.6734 (3)	−0.0450 (5)	0.2034 (3)	0.089 (3)
H310	0.694452	−0.075019	0.222640	0.107*
C306	0.7382 (2)	0.1023 (4)	0.3115 (3)	0.076 (2)
C331	0.4624 (3)	0.5945 (6)	0.4912 (4)	0.093 (3)
H331	0.472660	0.630918	0.516773	0.112*
N307	0.6381 (4)	0.6567 (6)	0.3217 (4)	0.117 (3)
C321	0.5875 (3)	0.6870 (6)	0.3825 (3)	0.092 (3)
C303	0.7682 (3)	0.0573 (5)	0.3450 (3)	0.092 (3)
C332	0.5804 (3)	1.0080 (6)	0.5178 (4)	0.091 (2)
H332	0.599836	1.050317	0.513104	0.109*
C304	0.7923 (3)	0.1030 (5)	0.3801 (3)	0.100 (3)
H304	0.789332	0.164967	0.383869	0.121*
C330	0.4312 (3)	0.5368 (6)	0.4941 (5)	0.110 (4)
H330	0.420981	0.533348	0.521882	0.132*
C315	0.7195 (3)	0.3765 (6)	0.3162 (5)	0.111 (4)
H315	0.738061	0.352538	0.340869	0.133*
C302	0.7742 (3)	−0.0330 (5)	0.3426 (4)	0.122 (5)
H302	0.757791	−0.066840	0.319649	0.146*
C305	0.8208 (3)	0.0557 (6)	0.4093 (4)	0.123 (5)
H305	0.838199	0.087927	0.432081	0.147*
C301	0.8034 (3)	−0.0743 (6)	0.3728 (5)	0.132 (5)
H301	0.808219	−0.135645	0.369195	0.159*
C328	0.4617 (4)	0.5500 (9)	0.4147 (5)	0.131 (4)
H328	0.470757	0.555693	0.386297	0.157*
C320	0.5799 (4)	0.6223 (7)	0.3486 (4)	0.113 (3)
H320	0.556433	0.587931	0.345536	0.135*
C322	0.6210 (5)	0.7373 (8)	0.3846 (5)	0.130 (5)
H322	0.626504	0.784572	0.405984	0.156*
C313	0.6396 (3)	0.0840 (5)	0.1777 (4)	0.122 (4)
H313	0.636580	0.146593	0.177972	0.146*
C314	0.7134 (4)	0.4679 (7)	0.3135 (6)	0.130 (5)
H314	0.728120	0.505907	0.335795	0.156*
C319	0.6058 (5)	0.6085 (9)	0.3202 (5)	0.128 (4)
H319	0.600635	0.562150	0.298159	0.154*
C323	0.6467 (5)	0.7173 (8)	0.3546 (6)	0.133 (5)
H323	0.671171	0.748022	0.357729	0.160*
C312	0.6169 (4)	0.0353 (6)	0.1457 (5)	0.141 (6)
H312	0.597026	0.065211	0.124794	0.170*
C318	0.6647 (5)	0.4496 (7)	0.2496 (5)	0.149 (6)
H318	0.643905	0.473506	0.227387	0.179*
C317	0.6715 (5)	0.3596 (7)	0.2507 (4)	0.136 (5)
H317	0.656867	0.322752	0.227691	0.164*
I402	0.8836 (3)	−0.2408 (5)	0.4163 (5)	0.194 (4)	0.4071
Zn41	0.8690 (4)	−0.0969 (8)	0.4519 (4)	0.158 (6)	0.4071
I401	0.84548 (17)	−0.0817 (4)	0.5277 (3)	0.189 (3)	0.4071
I306	0.6482 (3)	0.6756 (3)	0.20396 (17)	0.248 (4)	0.483 (3)
Zn33	0.6854 (3)	0.6407 (3)	0.2850 (3)	0.155 (4)	0.483 (3)
I305	0.74817 (19)	0.7163 (2)	0.3201 (3)	0.224 (3)	0.483 (3)
I502	0.9029 (4)	−0.2311 (8)	0.3937 (4)	0.080*	0.0551
I501	0.8488 (4)	−0.1266 (9)	0.5116 (4)	0.080*	0.0551
Zn51	0.8749 (12)	−0.112 (3)	0.4358 (12)	0.080*	0.0551
I505	0.7621 (5)	0.6945 (13)	0.3523 (5)	0.080*	0.0412 (16)
I506	0.6774 (4)	0.7053 (12)	0.2245 (6)	0.080*	0.0412 (16)
Zn53	0.7014 (12)	0.644 (3)	0.3065 (13)	0.080*	0.0412 (16)
C329	0.4314 (4)	0.4923 (9)	0.4201 (6)	0.135 (5)
H329	0.421252	0.454437	0.395127	0.162*
Zn42	0.5766 (2)	−0.1232 (7)	0.1003 (3)	0.106 (4)	0.3704
I403	0.6160 (2)	−0.2344 (4)	0.0627 (2)	0.144 (3)	0.3704
I404	0.52118 (18)	−0.1522 (5)	0.1407 (2)	0.156 (3)	0.3704
I503	0.6289 (5)	−0.2199 (12)	0.0580 (6)	0.080*	0.056
I504	0.5227 (7)	−0.1721 (13)	0.1486 (9)	0.080*	0.056
Zn52	0.5769 (8)	−0.119 (5)	0.0964 (16)	0.080*	0.056
C809	0.5625 (17)	0.331 (3)	0.2325 (13)	0.118 (12)	0.1707
H80A	0.536990	0.349160	0.240944	0.141*	0.1707
H80B	0.584217	0.356893	0.255314	0.141*	0.1707
C808	0.5659 (15)	0.229 (3)	0.2323 (15)	0.116 (13)	0.1707
H80C	0.591339	0.211962	0.223494	0.139*	0.1707
H80D	0.565432	0.206046	0.263436	0.139*	0.1707
C807	0.5313 (16)	0.190 (3)	0.1980 (16)	0.121 (13)	0.1707
H80E	0.533398	0.124180	0.198302	0.146*	0.1707
H80F	0.505908	0.205968	0.207137	0.146*	0.1707
C812	0.5321 (15)	0.224 (2)	0.1493 (14)	0.107 (11)	0.1707
H81A	0.556292	0.202945	0.138917	0.128*	0.1707
H81B	0.508863	0.201132	0.127785	0.128*	0.1707
C811	0.5313 (12)	0.326 (2)	0.1487 (14)	0.098 (11)	0.1707
H81C	0.505564	0.346947	0.155287	0.117*	0.1707
H81D	0.533760	0.347298	0.117641	0.117*	0.1707
C810	0.5650 (13)	0.366 (2)	0.1842 (15)	0.103 (11)	0.1707
H81E	0.590864	0.349411	0.176301	0.124*	0.1707
H81F	0.562956	0.431364	0.183732	0.124*	0.1707
C801	0.6331 (8)	−0.065 (2)	0.3075 (11)	0.095 (8)	0.2298
H80G	0.657301	−0.056352	0.294245	0.115*	0.2298
H80H	0.638784	−0.111361	0.331505	0.115*	0.2298
C806	0.5999 (10)	−0.098 (3)	0.2698 (12)	0.109 (9)	0.2298
H80I	0.606252	−0.158361	0.260664	0.131*	0.2298
H80J	0.598586	−0.058923	0.242560	0.131*	0.2298
C805	0.5593 (10)	−0.099 (3)	0.2843 (16)	0.127 (11)	0.2298
H80K	0.558787	−0.145257	0.307769	0.153*	0.2298
H80L	0.538604	−0.112491	0.257456	0.153*	0.2298
C804	0.5510 (9)	−0.008 (2)	0.3041 (16)	0.125 (11)	0.2298
H80M	0.524497	−0.007832	0.312842	0.149*	0.2298
H80N	0.551663	0.038960	0.280857	0.149*	0.2298
C803	0.5832 (11)	0.010 (3)	0.3467 (14)	0.143 (12)	0.2298
H80P	0.584845	−0.040816	0.368367	0.171*	0.2298
H80O	0.576771	0.063882	0.362776	0.171*	0.2298
C802	0.6229 (10)	0.021 (3)	0.3295 (17)	0.133 (11)	0.2298
H80Q	0.620614	0.070058	0.306776	0.160*	0.2298
H80R	0.644149	0.036719	0.355601	0.160*	0.2298

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I303	0.0873 (10)	0.0442 (8)	0.0906 (8)	0.0021 (6)	0.0084 (10)	−0.0028 (6)
I304	0.0845 (10)	0.0856 (15)	0.0673 (10)	−0.0202 (9)	0.0072 (9)	−0.0038 (9)
I302	0.182 (5)	0.0643 (16)	0.327 (7)	−0.007 (2)	−0.183 (5)	0.021 (2)
I406	0.1534 (15)	0.0568 (8)	0.0998 (10)	0.0096 (8)	−0.0038 (10)	0.0081 (6)
Zn32	0.068 (2)	0.0397 (17)	0.0638 (13)	0.0000 (14)	−0.0050 (13)	0.0015 (10)
I405	0.1190 (14)	0.0558 (9)	0.188 (2)	−0.0189 (8)	0.0298 (13)	−0.0377 (10)
I301	0.1002 (13)	0.231 (5)	0.167 (2)	−0.021 (2)	−0.0196 (13)	0.118 (3)
Zn31	0.083 (2)	0.086 (5)	0.168 (4)	−0.030 (2)	−0.056 (3)	0.050 (3)
Zn43	0.1032 (18)	0.0391 (13)	0.104 (2)	0.0029 (11)	0.0006 (16)	−0.0072 (13)
N312	0.075 (4)	0.058 (3)	0.073 (3)	−0.006 (3)	−0.007 (3)	−0.004 (3)
N308	0.088 (4)	0.058 (3)	0.081 (4)	0.003 (3)	−0.021 (4)	−0.005 (3)
N305	0.079 (4)	0.050 (3)	0.098 (4)	0.005 (3)	−0.029 (3)	0.005 (3)
N302	0.073 (3)	0.044 (3)	0.104 (4)	−0.010 (3)	−0.018 (3)	0.003 (3)
N303	0.067 (3)	0.041 (3)	0.111 (5)	−0.004 (2)	−0.032 (3)	0.006 (3)
N309	0.094 (5)	0.058 (4)	0.087 (4)	0.008 (3)	−0.033 (4)	−0.007 (3)
N304	0.077 (4)	0.038 (3)	0.110 (5)	−0.001 (3)	−0.024 (3)	0.010 (3)
N310	0.081 (4)	0.056 (3)	0.083 (4)	−0.002 (3)	−0.029 (3)	−0.002 (3)
N311	0.089 (5)	0.071 (5)	0.158 (8)	−0.013 (4)	−0.055 (6)	0.015 (5)
C335	0.069 (4)	0.057 (4)	0.079 (4)	−0.007 (3)	−0.020 (4)	0.003 (3)
C326	0.079 (5)	0.054 (4)	0.074 (4)	−0.004 (3)	−0.021 (4)	0.000 (3)
C334	0.070 (4)	0.058 (4)	0.078 (4)	0.001 (3)	−0.018 (4)	0.001 (3)
C327	0.077 (5)	0.050 (4)	0.104 (6)	0.001 (3)	−0.036 (5)	0.002 (4)
N301	0.101 (5)	0.063 (4)	0.180 (9)	−0.029 (4)	−0.074 (6)	0.036 (5)
C308	0.078 (4)	0.040 (3)	0.107 (5)	−0.005 (3)	−0.013 (4)	0.003 (3)
C336	0.069 (4)	0.063 (4)	0.076 (4)	0.000 (3)	−0.010 (3)	0.000 (3)
N306	0.140 (8)	0.048 (4)	0.167 (9)	0.009 (4)	0.016 (7)	0.005 (5)
C325	0.088 (5)	0.052 (4)	0.085 (5)	−0.001 (4)	−0.037 (4)	−0.001 (3)
C309	0.068 (4)	0.041 (3)	0.099 (5)	−0.003 (3)	−0.024 (4)	0.001 (3)
C307	0.067 (4)	0.043 (3)	0.108 (5)	−0.008 (3)	−0.021 (4)	0.005 (3)
C333	0.095 (6)	0.069 (5)	0.099 (6)	−0.029 (4)	0.012 (5)	−0.011 (4)
C311	0.094 (5)	0.050 (4)	0.104 (6)	0.006 (4)	−0.032 (5)	−0.004 (4)
C324	0.089 (5)	0.062 (4)	0.086 (5)	0.003 (4)	−0.025 (4)	−0.002 (4)
C316	0.095 (5)	0.042 (4)	0.111 (6)	−0.001 (4)	0.008 (5)	0.005 (4)
C310	0.085 (5)	0.053 (4)	0.110 (6)	0.008 (4)	−0.036 (4)	0.001 (4)
C306	0.070 (4)	0.039 (3)	0.105 (5)	−0.006 (3)	−0.016 (4)	0.004 (3)
C331	0.084 (5)	0.062 (5)	0.118 (7)	−0.017 (4)	−0.026 (5)	0.006 (5)
N307	0.167 (10)	0.060 (4)	0.128 (7)	0.023 (5)	0.040 (7)	−0.004 (4)
C321	0.115 (7)	0.067 (5)	0.088 (5)	0.014 (5)	0.001 (5)	0.005 (4)
C303	0.079 (5)	0.052 (4)	0.121 (6)	−0.013 (3)	−0.043 (5)	0.011 (4)
C332	0.089 (5)	0.067 (5)	0.115 (7)	−0.023 (4)	0.012 (5)	−0.017 (5)
C304	0.110 (6)	0.048 (4)	0.118 (6)	−0.019 (4)	−0.047 (5)	0.016 (4)
C330	0.092 (6)	0.063 (5)	0.150 (9)	−0.012 (4)	−0.043 (6)	0.013 (5)
C315	0.104 (7)	0.049 (4)	0.164 (10)	−0.007 (4)	−0.018 (7)	−0.005 (5)
C302	0.102 (6)	0.041 (4)	0.185 (10)	−0.006 (4)	−0.077 (7)	0.000 (5)
C305	0.115 (7)	0.063 (5)	0.154 (9)	−0.035 (5)	−0.074 (7)	0.026 (5)
C301	0.109 (7)	0.053 (4)	0.194 (11)	−0.009 (5)	−0.080 (8)	0.020 (6)
C328	0.124 (8)	0.113 (9)	0.135 (9)	−0.039 (7)	−0.032 (7)	−0.029 (7)
C320	0.140 (9)	0.083 (7)	0.108 (7)	0.005 (6)	0.004 (7)	−0.024 (6)
C322	0.160 (12)	0.084 (7)	0.154 (11)	−0.041 (7)	0.048 (10)	−0.033 (7)
C313	0.126 (7)	0.038 (4)	0.164 (9)	0.010 (4)	−0.074 (7)	−0.005 (5)
C314	0.123 (9)	0.061 (5)	0.202 (14)	−0.024 (6)	0.018 (9)	−0.036 (7)
C319	0.170 (12)	0.088 (7)	0.131 (10)	−0.009 (8)	0.037 (9)	−0.023 (7)
C323	0.168 (13)	0.076 (7)	0.168 (12)	−0.018 (7)	0.064 (11)	−0.009 (7)
C312	0.150 (9)	0.049 (4)	0.175 (10)	0.004 (5)	−0.107 (9)	0.005 (5)
C318	0.219 (16)	0.054 (5)	0.150 (10)	0.032 (7)	−0.035 (10)	−0.014 (6)
C317	0.200 (13)	0.053 (5)	0.129 (9)	0.024 (6)	−0.045 (9)	0.001 (5)
I402	0.136 (2)	0.0457 (15)	0.343 (10)	−0.0007 (14)	−0.111 (4)	0.023 (3)
Zn41	0.124 (7)	0.057 (3)	0.235 (12)	−0.023 (4)	−0.122 (7)	0.041 (5)
I401	0.129 (3)	0.160 (4)	0.235 (5)	−0.045 (3)	−0.085 (3)	0.102 (3)
I306	0.496 (10)	0.109 (3)	0.177 (4)	0.157 (4)	0.164 (5)	0.077 (2)
Zn33	0.289 (11)	0.0385 (17)	0.165 (6)	0.020 (5)	0.113 (7)	0.004 (4)
I305	0.275 (6)	0.0723 (19)	0.382 (9)	−0.070 (3)	0.219 (6)	−0.088 (3)
C329	0.123 (9)	0.106 (9)	0.154 (11)	−0.045 (7)	−0.037 (8)	−0.037 (8)
Zn42	0.100 (6)	0.059 (4)	0.129 (6)	−0.015 (4)	−0.064 (4)	0.009 (4)
I403	0.150 (4)	0.0526 (17)	0.190 (5)	0.0186 (18)	−0.077 (3)	−0.021 (2)
I404	0.155 (4)	0.142 (5)	0.144 (4)	−0.079 (3)	−0.048 (3)	0.014 (3)
C809	0.11 (3)	0.10 (2)	0.15 (3)	0.00 (2)	0.02 (2)	0.03 (2)
C808	0.10 (3)	0.09 (2)	0.15 (3)	0.00 (2)	0.03 (2)	0.04 (2)
C807	0.11 (3)	0.09 (2)	0.16 (3)	0.00 (2)	0.02 (2)	0.04 (2)
C812	0.09 (2)	0.08 (2)	0.15 (3)	0.013 (17)	0.02 (2)	0.031 (19)
C811	0.07 (2)	0.08 (2)	0.14 (3)	0.011 (16)	0.029 (19)	0.041 (19)
C810	0.09 (2)	0.07 (2)	0.14 (3)	0.026 (17)	0.015 (19)	0.029 (18)
C801	0.13 (2)	0.074 (16)	0.099 (18)	−0.012 (15)	0.054 (15)	0.031 (14)
C806	0.14 (2)	0.084 (19)	0.11 (2)	−0.012 (17)	0.053 (16)	−0.001 (16)
C805	0.13 (2)	0.11 (2)	0.15 (3)	−0.028 (19)	0.053 (19)	−0.01 (2)
C804	0.11 (2)	0.10 (2)	0.18 (3)	−0.019 (18)	0.076 (18)	0.01 (2)
C803	0.14 (2)	0.13 (3)	0.18 (3)	−0.04 (2)	0.085 (19)	−0.04 (2)
C802	0.13 (2)	0.12 (2)	0.17 (3)	−0.043 (18)	0.067 (19)	−0.041 (19)

Geometric parameters (Å, º)

I303—Zn32	2.520 (5)	C303—C302	1.381 (12)
I304—Zn32	2.531 (5)	C332—H332	0.9500
I302—Zn31	2.532 (9)	C304—H304	0.9500
I406—Zn43	2.531 (5)	C304—C305	1.383 (12)
Zn32—N312^i	2.064 (9)	C330—H330	0.9500
Zn32—N305	2.099 (8)	C315—H315	0.9500
I405—Zn43	2.522 (5)	C315—C314	1.396 (15)
I301—Zn31	2.570 (9)	C302—H302	0.9500
Zn31—N311^ii	2.107 (14)	C302—C301	1.370 (12)
Zn31—N301	2.069 (10)	C305—H305	0.9500
Zn43—N306	2.117 (10)	C301—H301	0.9500
Zn43—N307	2.077 (12)	C328—H328	0.9500
N312—C336	1.345 (10)	C328—C329	1.39 (2)
N312—C332	1.274 (12)	C320—H320	0.9500
N312—Zn42^iii	2.128 (13)	C320—C319	1.344 (18)
N312—Zn52^iii	2.01 (8)	C322—H322	0.9500
N308—C326	1.299 (11)	C322—C323	1.392 (19)
N308—C324	1.334 (11)	C313—H313	0.9500
N305—C311	1.335 (9)	C313—C312	1.334 (12)
N305—C312	1.311 (11)	C314—H314	0.9500
N305—Zn42	2.053 (10)	C319—H319	0.9500
N305—Zn52	2.070 (18)	C323—H323	0.9500
N302—C308	1.329 (10)	C312—H312	0.9500
N302—C306	1.343 (9)	C318—H318	0.9500
N303—C307	1.321 (9)	C318—C317	1.379 (14)
N303—C306	1.336 (10)	C317—H317	0.9500
N309—C325	1.342 (13)	I402—Zn41	2.503 (11)
N309—C324	1.332 (12)	Zn41—I401	2.524 (13)
N304—C308	1.326 (10)	I306—Zn33	2.561 (9)
N304—C307	1.346 (9)	Zn33—I305	2.496 (9)
N310—C326	1.344 (11)	I502—Zn51	2.48 (4)
N310—C325	1.345 (10)	I501—Zn51	2.57 (3)
N311—C330	1.341 (15)	I505—Zn53	2.40 (4)
N311—Zn41^iv	2.008 (17)	I506—Zn53	2.59 (4)
N311—Zn51^iv	2.06 (4)	C329—H329	0.9500
N311—C329	1.344 (19)	Zn42—I403	2.535 (10)
C335—H335	0.9500	Zn42—I404	2.460 (10)
C335—C334	1.372 (12)	I503—Zn52	2.74 (4)
C335—C336	1.381 (11)	I504—Zn52	2.74 (4)
C326—C334	1.487 (11)	C809—H80A	0.9900
C334—C333	1.404 (12)	C809—H80B	0.9900
C327—C325	1.478 (13)	C809—C808	1.544 (13)
C327—C331	1.320 (14)	C809—C810	1.537 (13)
C327—C328	1.402 (14)	C808—H80C	0.9900
N301—C305	1.292 (13)	C808—H80D	0.9900
N301—C301	1.355 (13)	C808—C807	1.540 (13)
N301—Zn41	2.067 (12)	C807—H80E	0.9900
N301—Zn51	2.15 (4)	C807—H80F	0.9900
C308—C316	1.482 (10)	C807—C812	1.537 (13)
C336—H336	0.9500	C812—H81A	0.9900
N306—C314	1.358 (18)	C812—H81B	0.9900
N306—C318	1.308 (16)	C812—C811	1.537 (13)
N306—Zn33	2.093 (9)	C811—H81C	0.9900
N306—Zn53	2.31 (5)	C811—H81D	0.9900
C309—C307	1.479 (10)	C811—C810	1.540 (13)
C309—C310	1.367 (11)	C810—H81E	0.9900
C309—C313	1.373 (11)	C810—H81F	0.9900
C333—H333	0.9500	C801—H80G	0.9900
C333—C332	1.397 (12)	C801—H80H	0.9900
C311—H311	0.9500	C801—C806	1.525 (13)
C311—C310	1.373 (11)	C801—C802	1.528 (13)
C324—C321	1.453 (14)	C806—H80I	0.9900
C316—C315	1.337 (14)	C806—H80J	0.9900
C316—C317	1.380 (14)	C806—C805	1.528 (13)
C310—H310	0.9500	C805—H80K	0.9900
C306—C303	1.464 (10)	C805—H80L	0.9900
C331—H331	0.9500	C805—C804	1.536 (13)
C331—C330	1.396 (14)	C804—H80M	0.9900
N307—C319	1.320 (17)	C804—H80N	0.9900
N307—C323	1.330 (17)	C804—C803	1.543 (13)
N307—Zn33	2.123 (12)	C803—H80P	0.9900
N307—Zn53	2.31 (4)	C803—H80O	0.9900
C321—C320	1.389 (14)	C803—C802	1.550 (13)
C321—C322	1.369 (16)	C802—H80Q	0.9900
C303—C304	1.390 (11)	C802—H80R	0.9900
I303—Zn32—I304	127.2 (2)	C327—C328—H328	122.1
N312^i—Zn32—I303	108.3 (3)	C329—C328—C327	115.8 (14)
N312^i—Zn32—I304	106.9 (3)	C329—C328—H328	122.1
N312^i—Zn32—N305	96.9 (3)	C321—C320—H320	120.0
N305—Zn32—I303	111.3 (3)	C319—C320—C321	120.1 (13)
N305—Zn32—I304	102.1 (3)	C319—C320—H320	120.0
I302—Zn31—I301	129.2 (5)	C321—C322—H322	120.9
N311^ii—Zn31—I302	102.8 (5)	C321—C322—C323	118.2 (11)
N311^ii—Zn31—I301	110.1 (6)	C323—C322—H322	120.9
N301—Zn31—I302	102.8 (5)	C309—C313—H313	120.2
N301—Zn31—I301	108.5 (5)	C312—C313—C309	119.5 (7)
N301—Zn31—N311^ii	99.4 (5)	C312—C313—H313	120.2
I405—Zn43—I406	123.1 (3)	N306—C314—C315	120.0 (11)
N306—Zn43—I406	109.7 (4)	N306—C314—H314	120.0
N306—Zn43—I405	108.3 (4)	C315—C314—H314	120.0
N307—Zn43—I406	110.4 (4)	N307—C319—C320	122.5 (12)
N307—Zn43—I405	101.8 (4)	N307—C319—H319	118.8
N307—Zn43—N306	101.3 (5)	C320—C319—H319	118.8
Zn32^iii—N312—Zn42^iii	5.9 (3)	N307—C323—C322	122.2 (13)
C336—N312—Zn32^iii	123.6 (6)	N307—C323—H323	118.9
C336—N312—Zn42^iii	117.8 (6)	C322—C323—H323	118.9
C336—N312—Zn52^iii	119.5 (9)	N305—C312—C313	125.1 (8)
C332—N312—Zn32^iii	117.5 (6)	N305—C312—H312	117.4
C332—N312—C336	118.4 (7)	C313—C312—H312	117.4
C332—N312—Zn42^iii	123.2 (6)	N306—C318—H318	119.6
C332—N312—Zn52^iii	121.5 (9)	N306—C318—C317	120.8 (12)
C326—N308—C324	116.8 (8)	C317—C318—H318	119.6
C311—N305—Zn32	120.2 (5)	C316—C317—H317	119.5
C311—N305—Zn42	121.0 (6)	C318—C317—C316	120.9 (11)
C311—N305—Zn52	123 (2)	C318—C317—H317	119.5
C312—N305—Zn32	123.4 (5)	N311^ii—Zn41—N301	102.8 (6)
C312—N305—C311	116.3 (7)	N311^ii—Zn41—I402	111.5 (7)
C312—N305—Zn42	121.8 (6)	N311^ii—Zn41—I401	103.6 (7)
C312—N305—Zn52	120 (2)	N301—Zn41—I402	109.8 (6)
C308—N302—C306	114.4 (6)	N301—Zn41—I401	101.9 (6)
C307—N303—C306	115.7 (6)	I402—Zn41—I401	124.9 (7)
C324—N309—C325	115.5 (7)	N306—Zn33—N307	100.5 (5)
C308—N304—C307	114.9 (6)	N306—Zn33—I306	97.8 (4)
C326—N310—C325	113.3 (8)	N306—Zn33—I305	117.7 (5)
C330—N311—Zn31^iv	117.6 (11)	N307—Zn33—I306	99.0 (4)
C330—N311—Zn41^iv	129.2 (12)	N307—Zn33—I305	114.7 (4)
C330—N311—Zn51^iv	145.1 (14)	I305—Zn33—I306	123.1 (3)
C330—N311—C329	117.2 (10)	N311^ii—Zn51—N301	98.4 (17)
C329—N311—Zn31^iv	124.8 (8)	N311^ii—Zn51—I502	112.6 (16)
C329—N311—Zn41^iv	113.7 (9)	N311^ii—Zn51—I501	95.8 (14)
C329—N311—Zn51^iv	97.6 (11)	N301—Zn51—I502	125.3 (17)
C334—C335—H335	120.3	N301—Zn51—I501	90.7 (13)
C334—C335—C336	119.4 (7)	I502—Zn51—I501	127.1 (17)
C336—C335—H335	120.3	N306—Zn53—I505	128 (2)
N308—C326—N310	125.9 (7)	N306—Zn53—I506	89.1 (13)
N308—C326—C334	117.7 (7)	N307—Zn53—N306	89.2 (15)
N310—C326—C334	116.3 (8)	N307—Zn53—I505	128.2 (19)
C335—C334—C326	123.1 (7)	N307—Zn53—I506	89.9 (14)
C335—C334—C333	118.5 (7)	I505—Zn53—I506	120.9 (18)
C333—C334—C326	118.4 (8)	N311—C329—C328	124.7 (11)
C331—C327—C325	122.0 (8)	N311—C329—H329	117.7
C331—C327—C328	120.1 (10)	C328—C329—H329	117.7
C328—C327—C325	117.7 (11)	N312^i—Zn42—I403	104.1 (4)
C305—N301—Zn31	116.0 (7)	N312^i—Zn42—I404	110.1 (5)
C305—N301—C301	117.8 (8)	N305—Zn42—N312^i	96.4 (5)
C305—N301—Zn41	123.4 (7)	N305—Zn42—I403	102.8 (4)
C305—N301—Zn51	131.2 (12)	N305—Zn42—I404	110.8 (5)
C301—N301—Zn31	126.0 (7)	I404—Zn42—I403	128.0 (5)
C301—N301—Zn41	118.5 (8)	N312^i—Zn52—N305	100 (3)
C301—N301—Zn51	107.4 (12)	N312^i—Zn52—I503	103.3 (15)
N302—C308—C316	117.7 (7)	N312^i—Zn52—I504	117.8 (19)
N304—C308—N302	125.6 (6)	N305—Zn52—I503	95.4 (12)
N304—C308—C316	116.6 (7)	N305—Zn52—I504	105.5 (14)
N312—C336—C335	121.9 (8)	I504—Zn52—I503	129 (3)
N312—C336—H336	119.1	H80A—C809—H80B	108.4
C335—C336—H336	119.1	C808—C809—H80A	110.0
C314—N306—Zn43	127.3 (8)	C808—C809—H80B	110.0
C314—N306—Zn33	109.7 (8)	C810—C809—H80A	110.0
C314—N306—Zn53	90.5 (12)	C810—C809—H80B	110.0
C318—N306—Zn43	112.8 (8)	C810—C809—C808	108 (2)
C318—N306—C314	119.6 (9)	C809—C808—H80C	109.7
C318—N306—Zn33	130.5 (9)	C809—C808—H80D	109.7
C318—N306—Zn53	149.8 (13)	H80C—C808—H80D	108.2
N309—C325—N310	125.2 (8)	C807—C808—C809	109.9 (19)
N309—C325—C327	118.3 (7)	C807—C808—H80C	109.7
N310—C325—C327	116.5 (10)	C807—C808—H80D	109.7
C310—C309—C307	122.5 (6)	C808—C807—H80E	109.6
C310—C309—C313	116.1 (7)	C808—C807—H80F	109.6
C313—C309—C307	121.2 (6)	H80E—C807—H80F	108.1
N303—C307—N304	124.3 (7)	C812—C807—C808	110.2 (19)
N303—C307—C309	119.1 (6)	C812—C807—H80E	109.6
N304—C307—C309	116.6 (6)	C812—C807—H80F	109.6
C334—C333—H333	121.7	C807—C812—H81A	109.6
C332—C333—C334	116.6 (9)	C807—C812—H81B	109.6
C332—C333—H333	121.7	H81A—C812—H81B	108.1
N305—C311—H311	119.2	C811—C812—C807	110.3 (18)
N305—C311—C310	121.7 (7)	C811—C812—H81A	109.6
C310—C311—H311	119.2	C811—C812—H81B	109.6
N308—C324—C321	118.5 (9)	C812—C811—H81C	109.2
N309—C324—N308	123.3 (10)	C812—C811—H81D	109.2
N309—C324—C321	118.2 (8)	C812—C811—C810	111.9 (18)
C315—C316—C308	124.4 (8)	H81C—C811—H81D	107.9
C315—C316—C317	117.5 (8)	C810—C811—H81C	109.2
C317—C316—C308	118.1 (8)	C810—C811—H81D	109.2
C309—C310—C311	120.5 (7)	C809—C810—C811	110.0 (18)
C309—C310—H310	119.7	C809—C810—H81E	109.7
C311—C310—H310	119.7	C809—C810—H81F	109.7
N302—C306—C303	118.6 (7)	C811—C810—H81E	109.7
N303—C306—N302	124.7 (6)	C811—C810—H81F	109.7
N303—C306—C303	116.7 (6)	H81E—C810—H81F	108.2
C327—C331—H331	119.4	H80G—C801—H80H	107.8
C327—C331—C330	121.1 (10)	C806—C801—H80G	109.0
C330—C331—H331	119.4	C806—C801—H80H	109.0
C319—N307—Zn43	116.5 (9)	C806—C801—C802	112.9 (19)
C319—N307—C323	118.6 (12)	C802—C801—H80G	109.0
C319—N307—Zn33	129.4 (9)	C802—C801—H80H	109.0
C319—N307—Zn53	139.7 (14)	C801—C806—H80I	108.9
C323—N307—Zn43	124.8 (10)	C801—C806—H80J	108.9
C323—N307—Zn33	111.2 (10)	C801—C806—C805	113.3 (17)
C323—N307—Zn53	96.1 (14)	H80I—C806—H80J	107.7
C320—C321—C324	122.6 (11)	C805—C806—H80I	108.9
C322—C321—C324	119.4 (9)	C805—C806—H80J	108.9
C322—C321—C320	118.0 (11)	C806—C805—H80K	109.7
C304—C303—C306	122.0 (7)	C806—C805—H80L	109.7
C302—C303—C306	121.0 (7)	C806—C805—C804	109.8 (17)
C302—C303—C304	117.0 (7)	H80K—C805—H80L	108.2
N312—C332—C333	125.1 (8)	C804—C805—H80K	109.7
N312—C332—H332	117.5	C804—C805—H80L	109.7
C333—C332—H332	117.5	C805—C804—H80M	110.1
C303—C304—H304	120.9	C805—C804—H80N	110.1
C305—C304—C303	118.2 (8)	C805—C804—C803	108.1 (18)
C305—C304—H304	120.9	H80M—C804—H80N	108.4
N311—C330—C331	120.9 (13)	C803—C804—H80M	110.1
N311—C330—H330	119.5	C803—C804—H80N	110.1
C331—C330—H330	119.5	C804—C803—H80P	110.3
C316—C315—H315	119.6	C804—C803—H80O	110.3
C316—C315—C314	120.8 (11)	C804—C803—C802	107.1 (18)
C314—C315—H315	119.6	H80P—C803—H80O	108.5
C303—C302—H302	119.6	C802—C803—H80P	110.3
C301—C302—C303	120.9 (8)	C802—C803—H80O	110.3
C301—C302—H302	119.6	C801—C802—C803	108.9 (17)
N301—C305—C304	124.7 (8)	C801—C802—H80Q	109.9
N301—C305—H305	117.6	C801—C802—H80R	109.9
C304—C305—H305	117.6	C803—C802—H80Q	109.9
N301—C301—C302	121.1 (9)	C803—C802—H80R	109.9
N301—C301—H301	119.4	H80Q—C802—H80R	108.3
C302—C301—H301	119.4
Zn32^iii—N312—C336—C335	−166.8 (5)	C310—C309—C313—C312	9 (2)
Zn32^iii—N312—C332—C333	167.9 (8)	C306—N302—C308—N304	5.3 (14)
Zn32—N305—C311—C310	−172.1 (8)	C306—N302—C308—C316	−173.7 (8)
Zn32—N305—C312—C313	173.3 (13)	C306—N303—C307—N304	1.5 (14)
Zn31^iv—N311—C330—C331	−171.4 (7)	C306—N303—C307—C309	−178.1 (8)
Zn31^iv—N311—C329—C328	168.9 (11)	C306—C303—C304—C305	−177.8 (11)
Zn31—N301—C305—C304	−168.9 (11)	C306—C303—C302—C301	177.2 (13)
Zn31—N301—C301—C302	168.0 (12)	C331—C327—C325—N309	158.7 (8)
Zn43—N306—C314—C315	176.8 (10)	C331—C327—C325—N310	−24.1 (11)
Zn43—N306—C318—C317	179.3 (14)	C331—C327—C328—C329	−5.4 (17)
Zn43—N307—C319—C320	−171.2 (11)	C321—C320—C319—N307	−3 (2)
Zn43—N307—C323—C322	169.2 (11)	C321—C322—C323—N307	6 (2)
N308—C326—C334—C335	−179.9 (6)	C303—C304—C305—N301	−4 (2)
N308—C326—C334—C333	0.0 (10)	C303—C302—C301—N301	4 (2)
N308—C324—C321—C320	−166.2 (9)	C332—N312—C336—C335	5.5 (11)
N308—C324—C321—C322	13.3 (14)	C304—C303—C302—C301	−2 (2)
N305—C311—C310—C309	0.8 (17)	C330—N311—C329—C328	−3 (2)
N302—C308—C316—C315	−2.5 (16)	C315—C316—C317—C318	0 (2)
N302—C308—C316—C317	178.7 (11)	C302—C303—C304—C305	1.1 (18)
N302—C306—C303—C304	−4.2 (15)	C305—N301—C301—C302	−6 (2)
N302—C306—C303—C302	176.9 (11)	C301—N301—C305—C304	6 (2)
N303—C306—C303—C304	174.9 (10)	C328—C327—C325—N309	−26.3 (12)
N303—C306—C303—C302	−4.0 (16)	C328—C327—C325—N310	150.9 (9)
N309—C324—C321—C320	12.8 (13)	C328—C327—C331—C330	4.0 (14)
N309—C324—C321—C322	−167.6 (10)	C320—C321—C322—C323	−4 (2)
N304—C308—C316—C315	178.5 (11)	C322—C321—C320—C319	2.4 (18)
N304—C308—C316—C317	−0.4 (15)	C313—C309—C307—N303	−175.9 (11)
N310—C326—C334—C335	1.1 (10)	C313—C309—C307—N304	4.5 (15)
N310—C326—C334—C333	−179.0 (7)	C313—C309—C310—C311	−7.7 (16)
C335—C334—C333—C332	2.8 (12)	C314—N306—C318—C317	−7 (3)
C326—N308—C324—N309	2.1 (11)	C319—N307—C323—C322	−6 (2)
C326—N308—C324—C321	−178.9 (7)	C323—N307—C319—C320	5 (2)
C326—N310—C325—N309	0.7 (10)	C312—N305—C311—C310	4.8 (17)
C326—N310—C325—C327	−176.2 (6)	C318—N306—C314—C315	4 (2)
C326—C334—C333—C332	−177.1 (8)	C317—C316—C315—C314	−2.8 (19)
C334—C335—C336—N312	−2.0 (10)	Zn41^iv—N311—C330—C331	−176.6 (8)
C334—C333—C332—N312	0.7 (15)	Zn41^iv—N311—C329—C328	175.0 (13)
C327—C331—C330—N311	−1.8 (14)	Zn41—N301—C305—C304	179.4 (12)
C327—C328—C329—N311	5 (2)	Zn41—N301—C301—C302	179.9 (13)
C308—N302—C306—N303	0.3 (13)	Zn33—N306—C314—C315	−179.5 (11)
C308—N302—C306—C303	179.4 (9)	Zn33—N306—C318—C317	177.2 (13)
C308—N304—C307—N303	3.3 (14)	Zn33—N307—C319—C320	174.0 (10)
C308—N304—C307—C309	−177.1 (8)	Zn33—N307—C323—C322	−177.5 (12)
C308—C316—C315—C314	178.4 (11)	Zn51^iv—N311—C330—C331	175 (2)
C308—C316—C317—C318	178.8 (15)	Zn51^iv—N311—C329—C328	−179.9 (18)
C336—N312—C332—C333	−4.8 (14)	Zn51—N301—C305—C304	161.6 (15)
C336—C335—C334—C326	177.7 (6)	Zn51—N301—C301—C302	−167.4 (16)
C336—C335—C334—C333	−2.1 (11)	Zn53—N306—C314—C315	−179.3 (16)
N306—C318—C317—C316	5 (3)	Zn53—N306—C318—C317	179 (2)
C325—N309—C324—N308	−2.6 (11)	Zn53—N307—C319—C320	150.8 (18)
C325—N309—C324—C321	178.4 (7)	Zn53—N307—C323—C322	−165.0 (17)
C325—N310—C326—N308	−1.3 (10)	C329—N311—C330—C331	1.3 (15)
C325—N310—C326—C334	177.6 (6)	Zn42^iii—N312—C336—C335	−165.7 (6)
C325—C327—C331—C330	178.8 (8)	Zn42^iii—N312—C332—C333	165.8 (8)
C325—C327—C328—C329	179.5 (11)	Zn42—N305—C311—C310	−165.1 (9)
C309—C313—C312—N305	−4 (3)	Zn42—N305—C312—C313	166.3 (14)
C307—N303—C306—N302	−3.4 (13)	Zn52^iii—N312—C336—C335	−165.7 (9)
C307—N303—C306—C303	177.5 (9)	Zn52^iii—N312—C332—C333	166.2 (11)
C307—N304—C308—N302	−7.0 (14)	Zn52—N305—C311—C310	−168.5 (13)
C307—N304—C308—C316	171.9 (8)	Zn52—N305—C312—C313	170.1 (18)
C307—C309—C310—C311	176.8 (10)	C809—C808—C807—C812	60 (4)
C307—C309—C313—C312	−175.4 (13)	C808—C809—C810—C811	59 (4)
C311—N305—C312—C313	−4 (2)	C808—C807—C812—C811	−56 (4)
C324—N308—C326—N310	−0.1 (11)	C807—C812—C811—C810	55 (4)
C324—N308—C326—C334	−178.9 (6)	C812—C811—C810—C809	−57 (4)
C324—N309—C325—N310	1.0 (10)	C810—C809—C808—C807	−62 (4)
C324—N309—C325—C327	178.0 (6)	C801—C806—C805—C804	52 (4)
C324—C321—C320—C319	−178.1 (11)	C806—C801—C802—C803	54 (4)
C324—C321—C322—C323	176.6 (12)	C806—C805—C804—C803	−61 (4)
C316—C315—C314—N306	1 (2)	C805—C804—C803—C802	67 (3)
C310—C309—C307—N303	−0.6 (14)	C804—C803—C802—C801	−63 (4)
C310—C309—C307—N304	179.8 (9)	C802—C801—C806—C805	−49 (4)

Symmetry codes: (i) x, −y+1, z−1/2; (ii) x+1/2, y−1/2, z; (iii) x, −y+1, z+1/2; (iv) x−1/2, y+1/2, z.

catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc (4_10_24a)

Crystal data

C36H24I6N12Zn3	F(000) = 5856
Mr = 1582.18	Dx = 1.420 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 33.994 (5) Å	Cell parameters from 3407 reflections
b = 15.0640 (7) Å	θ = 2.6–67.9°
c = 29.295 (5) Å	µ = 20.99 mm^−1
β = 99.334 (15)°	T = 100 K
V = 14803 (3) Å^3	Block, colourless
Z = 8	0.17 × 0.15 × 0.07 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	13329 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	6347 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.113
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −40→40
Absorption correction: analytical CrysAlisPro 1.171.41.89a (Rigaku Oxford Diffraction, 2020) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −9→18
Tmin = 0.088, Tmax = 0.337	l = −35→35
43344 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.122	H-atom parameters constrained
wR(F^2) = 0.422	w = 1/[σ^2(Fo^2) + (0.2P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.27	(Δ/σ)max < 0.001
13329 reflections	Δρmax = 0.97 e Å^−3
418 parameters	Δρmin = −0.79 e Å^−3
72 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. No guests or solvent were identified from the electron density map, SQUEEZE has been applied to address the residual electron density within the pore. SQUEEZE analysis indicated one void with a volume of 797 Ang**3 and an electron count of 206. This is equivalent to 4.29 cyclohexane molecules or 1.58 BBA-8,12-OMe molecules.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I401	0.6183 (2)	−0.2349 (4)	0.0547 (2)	0.097 (3)	0.275 (13)
I402	0.52551 (18)	−0.1631 (4)	0.14347 (17)	0.084 (2)	0.275 (13)
I303	0.8704 (3)	−0.2362 (4)	0.4456 (4)	0.274 (6)	0.489
Zn41	0.5784 (3)	−0.1254 (6)	0.0956 (3)	0.065 (3)	0.275 (13)
I305	0.62648 (16)	0.65502 (16)	0.19246 (12)	0.1824 (19)	0.565 (7)
I306	0.73131 (14)	0.72822 (14)	0.29791 (18)	0.1829 (19)	0.565 (7)
I304	0.8312 (2)	−0.0349 (6)	0.5469 (4)	0.245 (4)	0.489
Zn32	0.8569 (5)	−0.0807 (8)	0.4736 (6)	0.177 (5)	0.489
Zn33	0.6694 (2)	0.6373 (2)	0.2714 (2)	0.146 (2)	0.565 (7)
N311	0.4137 (7)	0.4823 (10)	0.4624 (10)	0.195 (7)
N309	0.5314 (5)	0.6454 (7)	0.4215 (6)	0.146 (4)
N308	0.5631 (5)	0.7806 (8)	0.4432 (6)	0.146 (4)
N302	0.6747 (7)	0.1740 (11)	0.2573 (10)	0.105 (5)	0.505 (12)
N304	0.7247 (7)	0.1816 (11)	0.3222 (10)	0.105 (5)	0.505 (12)
N301	0.6132 (9)	−0.0583 (11)	0.1479 (13)	0.128 (5)	0.505 (12)
N303	0.7111 (7)	0.0471 (11)	0.2835 (10)	0.105 (5)	0.505 (12)
N310	0.5122 (5)	0.7358 (7)	0.4796 (6)	0.146 (4)
C325	0.5094 (7)	0.6627 (9)	0.4541 (8)	0.146 (4)
C327	0.4770 (8)	0.5997 (13)	0.4567 (12)	0.195 (7)
C331	0.4598 (8)	0.5950 (13)	0.4924 (11)	0.195 (7)
H331	0.468670	0.632859	0.517960	0.233*
C313	0.7850 (16)	0.1059 (17)	0.3870 (19)	0.169 (9)	0.505 (12)
H313	0.779644	0.166734	0.391902	0.203*	0.505 (12)
C324	0.5607 (6)	0.7062 (9)	0.4166 (7)	0.146 (4)
C308	0.6944 (8)	0.2232 (11)	0.2932 (11)	0.105 (5)	0.505 (12)
C307	0.7298 (8)	0.0979 (12)	0.3196 (11)	0.105 (5)	0.505 (12)
C306	0.6840 (8)	0.0868 (11)	0.2561 (11)	0.105 (5)	0.505 (12)
C309	0.763 (2)	0.0600 (18)	0.349 (2)	0.169 (9)	0.505 (12)
C303	0.6600 (9)	0.0358 (12)	0.2182 (12)	0.128 (5)	0.505 (12)
C316	0.695 (2)	0.3221 (12)	0.284 (2)	0.148 (5)	0.505 (12)
C321	0.5863 (6)	0.6891 (10)	0.3843 (6)	0.191 (5)
C322	0.6207 (6)	0.7395 (9)	0.3858 (6)	0.191 (5)
H322	0.626414	0.785777	0.407894	0.229*
C323	0.6467 (5)	0.7223 (8)	0.3549 (7)	0.191 (5)
H323	0.670275	0.756707	0.355862	0.229*
N307	0.6384 (6)	0.6546 (9)	0.3225 (6)	0.191 (5)
C319	0.6039 (6)	0.6042 (8)	0.3210 (6)	0.191 (5)
H319	0.598220	0.557893	0.298916	0.229*
C320	0.5779 (5)	0.6214 (9)	0.3519 (7)	0.191 (5)
H320	0.554359	0.586962	0.350948	0.229*
C330	0.4297 (7)	0.5387 (11)	0.4951 (11)	0.195 (7)
H330	0.418763	0.539139	0.522985	0.233*
N306	0.6756 (12)	0.4980 (13)	0.2788 (13)	0.148 (5)	0.505 (12)
C312	0.8141 (19)	0.0639 (18)	0.416 (2)	0.169 (9)	0.505 (12)
H312	0.833681	0.099487	0.434347	0.203*	0.505 (12)
C302	0.6654 (9)	−0.0514 (12)	0.2128 (13)	0.128 (5)	0.505 (12)
H302	0.684843	−0.081021	0.234493	0.153*	0.505 (12)
C328	0.4649 (7)	0.5464 (11)	0.4222 (11)	0.195 (7)
H328	0.477251	0.546225	0.395298	0.233*
C318	0.7076 (15)	0.4717 (15)	0.3086 (17)	0.148 (5)	0.505 (12)
H318	0.722331	0.513340	0.328851	0.178*	0.505 (12)
C301	0.6435 (9)	−0.1021 (13)	0.1759 (12)	0.128 (5)	0.505 (12)
H301	0.649458	−0.162617	0.171047	0.153*	0.505 (12)
C317	0.7196 (15)	0.3795 (14)	0.3097 (16)	0.148 (5)	0.505 (12)
H317	0.743868	0.360206	0.327631	0.178*	0.505 (12)
C311	0.7963 (15)	−0.0710 (17)	0.3865 (17)	0.169 (9)	0.505 (12)
H311	0.800700	−0.133290	0.386251	0.203*	0.505 (12)
C310	0.7681 (16)	−0.0347 (16)	0.3510 (18)	0.169 (9)	0.505 (12)
H310	0.753035	−0.071982	0.328528	0.203*	0.505 (12)
C305	0.6055 (10)	0.0266 (13)	0.1557 (12)	0.128 (5)	0.505 (12)
H305	0.582831	0.054038	0.137965	0.153*	0.505 (12)
C304	0.6303 (9)	0.0765 (13)	0.1897 (12)	0.128 (5)	0.505 (12)
H304	0.626017	0.138494	0.192527	0.153*	0.505 (12)
I301	0.61389 (17)	−0.23808 (19)	0.0625 (3)	0.235 (4)	0.725 (13)
Zn31	0.5769 (2)	−0.1262 (4)	0.1033 (3)	0.194 (5)	0.725 (13)
I302	0.5196 (2)	−0.1574 (4)	0.1453 (2)	0.247 (4)	0.725 (13)
I403	0.8876 (3)	−0.2410 (3)	0.4133 (4)	0.314 (8)	0.511
Zn42	0.8699 (4)	−0.0978 (6)	0.4513 (6)	0.226 (8)	0.511
I404	0.8438 (3)	−0.0847 (5)	0.5274 (4)	0.304 (7)	0.511
N305	0.8173 (12)	−0.0239 (16)	0.4205 (14)	0.169 (9)	0.505 (12)
I406	0.7610 (3)	0.7080 (3)	0.3353 (4)	0.254 (5)	0.435 (7)
Zn43	0.6977 (4)	0.6448 (4)	0.2919 (4)	0.189 (5)	0.435 (7)
I405	0.6670 (4)	0.6907 (4)	0.2114 (3)	0.283 (7)	0.435 (7)
C334	0.5458 (6)	0.8758 (9)	0.4989 (7)	0.123 (3)
C335	0.5224 (6)	0.8936 (9)	0.5325 (7)	0.123 (3)
H335	0.502032	0.853340	0.537565	0.148*
C326	0.5411 (7)	0.7941 (9)	0.4725 (8)	0.146 (4)
C336	0.5291 (5)	0.9707 (9)	0.5588 (7)	0.123 (3)
H336	0.512057	0.984119	0.580548	0.148*
C333	0.5765 (5)	0.9340 (9)	0.4919 (7)	0.123 (3)
H333	0.592829	0.925258	0.468834	0.148*
C329	0.4328 (8)	0.4890 (13)	0.4262 (12)	0.195 (7)
H329	0.423947	0.451297	0.400624	0.233*
N312	0.5584 (5)	1.0259 (8)	0.5542 (6)	0.123 (3)
C315	0.6653 (14)	0.3556 (14)	0.2542 (14)	0.148 (5)	0.505 (12)
H315	0.648355	0.316504	0.234576	0.178*	0.505 (12)
C314	0.6590 (14)	0.4388 (15)	0.2509 (14)	0.148 (5)	0.505 (12)
H314	0.640298	0.458647	0.225261	0.178*	0.505 (12)
C332	0.5810 (6)	1.0094 (9)	0.5236 (7)	0.123 (3)
H332	0.602184	1.049562	0.521706	0.148*
N402	0.6878 (7)	0.1868 (11)	0.2496 (10)	0.105 (5)	0.495 (12)
N404	0.7388 (7)	0.1916 (11)	0.3152 (10)	0.105 (5)	0.495 (12)
N401	0.6206 (9)	−0.0424 (13)	0.1442 (14)	0.128 (5)	0.495 (12)
N403	0.7234 (7)	0.0599 (12)	0.2750 (10)	0.105 (5)	0.495 (12)
C413	0.7959 (16)	0.0993 (18)	0.382 (2)	0.169 (9)	0.495 (12)
H413	0.795970	0.161855	0.386257	0.203*	0.495 (12)
C408	0.7088 (8)	0.2314 (11)	0.2859 (11)	0.105 (5)	0.495 (12)
C407	0.7444 (8)	0.1083 (12)	0.3107 (11)	0.105 (5)	0.495 (12)
C406	0.6949 (8)	0.0983 (12)	0.2497 (11)	0.105 (5)	0.495 (12)
C409	0.769 (2)	0.0600 (18)	0.346 (2)	0.169 (9)	0.495 (12)
C403	0.6708 (9)	0.0495 (12)	0.2111 (12)	0.128 (5)	0.495 (12)
C416	0.701 (2)	0.3291 (13)	0.289 (2)	0.148 (5)	0.495 (12)
N406	0.6953 (12)	0.5044 (13)	0.2863 (12)	0.148 (5)	0.495 (12)
C412	0.8213 (19)	0.0484 (18)	0.412 (2)	0.169 (9)	0.495 (12)
H412	0.833358	0.072891	0.440330	0.203*	0.495 (12)
C402	0.6780 (9)	−0.0370 (13)	0.2048 (13)	0.128 (5)	0.495 (12)
H402	0.698814	−0.066499	0.224593	0.153*	0.495 (12)
C418	0.7188 (15)	0.4679 (15)	0.3221 (17)	0.148 (5)	0.495 (12)
H418	0.735438	0.503621	0.343941	0.178*	0.495 (12)
C401	0.6540 (10)	−0.0846 (13)	0.1678 (13)	0.128 (5)	0.495 (12)
H401	0.660901	−0.143027	0.159766	0.153*	0.495 (12)
C417	0.7185 (17)	0.3731 (14)	0.3268 (15)	0.148 (5)	0.495 (12)
H417	0.729995	0.343602	0.354408	0.178*	0.495 (12)
C411	0.8070 (14)	−0.0760 (17)	0.3672 (17)	0.169 (9)	0.495 (12)
H411	0.811427	−0.137241	0.362401	0.203*	0.495 (12)
C410	0.7760 (16)	−0.0329 (16)	0.3378 (19)	0.169 (9)	0.495 (12)
H410	0.760084	−0.064035	0.313261	0.203*	0.495 (12)
C405	0.6223 (10)	0.0459 (13)	0.1407 (12)	0.128 (5)	0.495 (12)
H405	0.608182	0.076676	0.114797	0.153*	0.495 (12)
C404	0.6462 (10)	0.0912 (13)	0.1774 (12)	0.128 (5)	0.495 (12)
H404	0.644786	0.154129	0.178200	0.153*	0.495 (12)
N405	0.8302 (12)	−0.0348 (16)	0.4015 (16)	0.169 (9)	0.495 (12)
C415	0.6865 (14)	0.3714 (14)	0.2507 (13)	0.148 (5)	0.495 (12)
H415	0.679096	0.339551	0.222665	0.178*	0.495 (12)
C414	0.6826 (14)	0.4555 (14)	0.2514 (13)	0.148 (5)	0.495 (12)
H414	0.669324	0.483639	0.224218	0.178*	0.495 (12)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I401	0.118 (4)	0.066 (3)	0.109 (4)	0.025 (2)	0.021 (3)	0.018 (2)
I402	0.083 (3)	0.088 (3)	0.077 (3)	−0.014 (2)	−0.005 (2)	0.0054 (18)
I303	0.247 (6)	0.078 (2)	0.400 (12)	−0.001 (3)	−0.243 (8)	0.014 (4)
Zn41	0.078 (6)	0.051 (4)	0.060 (4)	−0.015 (3)	−0.007 (4)	0.004 (2)
I305	0.274 (5)	0.0752 (11)	0.169 (3)	0.0269 (17)	−0.049 (3)	0.0205 (12)
I306	0.200 (3)	0.0685 (11)	0.268 (4)	−0.0273 (14)	0.001 (3)	−0.0493 (16)
I304	0.166 (4)	0.247 (8)	0.293 (8)	−0.006 (4)	−0.044 (4)	0.154 (7)
Zn32	0.144 (7)	0.105 (6)	0.235 (13)	−0.015 (5)	−0.106 (7)	0.042 (6)
Zn33	0.189 (5)	0.0452 (14)	0.179 (5)	0.007 (2)	−0.044 (4)	−0.0075 (18)
N311	0.169 (10)	0.081 (3)	0.277 (15)	−0.009 (5)	−0.133 (10)	−0.005 (7)
N309	0.166 (7)	0.068 (2)	0.164 (7)	0.019 (3)	−0.095 (6)	−0.010 (3)
N308	0.166 (7)	0.068 (2)	0.164 (7)	0.019 (3)	−0.095 (6)	−0.010 (3)
N302	0.073 (9)	0.046 (3)	0.174 (8)	−0.030 (4)	−0.048 (8)	0.020 (3)
N304	0.073 (9)	0.046 (3)	0.174 (8)	−0.030 (4)	−0.048 (8)	0.020 (3)
N301	0.118 (10)	0.037 (4)	0.191 (10)	−0.032 (4)	−0.085 (8)	0.019 (5)
N303	0.073 (9)	0.046 (3)	0.174 (8)	−0.030 (4)	−0.048 (8)	0.020 (3)
N310	0.166 (7)	0.068 (2)	0.164 (7)	0.019 (3)	−0.095 (6)	−0.010 (3)
C325	0.166 (7)	0.068 (2)	0.164 (7)	0.019 (3)	−0.095 (6)	−0.010 (3)
C327	0.169 (10)	0.081 (3)	0.277 (15)	−0.009 (5)	−0.133 (10)	−0.005 (7)
C331	0.169 (10)	0.081 (3)	0.277 (15)	−0.009 (5)	−0.133 (10)	−0.005 (7)
C313	0.147 (13)	0.062 (3)	0.247 (14)	−0.015 (4)	−0.120 (12)	0.013 (5)
C324	0.166 (7)	0.068 (2)	0.164 (7)	0.019 (3)	−0.095 (6)	−0.010 (3)
C308	0.073 (9)	0.046 (3)	0.174 (8)	−0.030 (4)	−0.048 (8)	0.020 (3)
C307	0.073 (9)	0.046 (3)	0.174 (8)	−0.030 (4)	−0.048 (8)	0.020 (3)
C306	0.073 (9)	0.046 (3)	0.174 (8)	−0.030 (4)	−0.048 (8)	0.020 (3)
C309	0.147 (13)	0.062 (3)	0.247 (14)	−0.015 (4)	−0.120 (12)	0.013 (5)
C303	0.118 (10)	0.037 (4)	0.191 (10)	−0.032 (4)	−0.085 (8)	0.019 (5)
C316	0.176 (12)	0.057 (3)	0.179 (10)	0.005 (4)	−0.070 (9)	−0.009 (4)
C321	0.273 (15)	0.090 (4)	0.197 (11)	0.009 (6)	0.004 (9)	−0.018 (5)
C322	0.273 (15)	0.090 (4)	0.197 (11)	0.009 (6)	0.004 (9)	−0.018 (5)
C323	0.273 (15)	0.090 (4)	0.197 (11)	0.009 (6)	0.004 (9)	−0.018 (5)
N307	0.273 (15)	0.090 (4)	0.197 (11)	0.009 (6)	0.004 (9)	−0.018 (5)
C319	0.273 (15)	0.090 (4)	0.197 (11)	0.009 (6)	0.004 (9)	−0.018 (5)
C320	0.273 (15)	0.090 (4)	0.197 (11)	0.009 (6)	0.004 (9)	−0.018 (5)
C330	0.169 (10)	0.081 (3)	0.277 (15)	−0.009 (5)	−0.133 (10)	−0.005 (7)
N306	0.176 (12)	0.057 (3)	0.179 (10)	0.005 (4)	−0.070 (9)	−0.009 (4)
C312	0.147 (13)	0.062 (3)	0.247 (14)	−0.015 (4)	−0.120 (12)	0.013 (5)
C302	0.118 (10)	0.037 (4)	0.191 (10)	−0.032 (4)	−0.085 (8)	0.019 (5)
C328	0.169 (10)	0.081 (3)	0.277 (15)	−0.009 (5)	−0.133 (10)	−0.005 (7)
C318	0.176 (12)	0.057 (3)	0.179 (10)	0.005 (4)	−0.070 (9)	−0.009 (4)
C301	0.118 (10)	0.037 (4)	0.191 (10)	−0.032 (4)	−0.085 (8)	0.019 (5)
C317	0.176 (12)	0.057 (3)	0.179 (10)	0.005 (4)	−0.070 (9)	−0.009 (4)
C311	0.147 (13)	0.062 (3)	0.247 (14)	−0.015 (4)	−0.120 (12)	0.013 (5)
C310	0.147 (13)	0.062 (3)	0.247 (14)	−0.015 (4)	−0.120 (12)	0.013 (5)
C305	0.118 (10)	0.037 (4)	0.191 (10)	−0.032 (4)	−0.085 (8)	0.019 (5)
C304	0.118 (10)	0.037 (4)	0.191 (10)	−0.032 (4)	−0.085 (8)	0.019 (5)
I301	0.238 (5)	0.0567 (12)	0.346 (7)	0.0051 (15)	−0.145 (4)	−0.0180 (18)
Zn31	0.205 (7)	0.062 (2)	0.251 (8)	−0.008 (3)	−0.154 (6)	0.016 (3)
I302	0.249 (6)	0.182 (4)	0.256 (6)	−0.075 (3)	−0.119 (5)	−0.008 (3)
I403	0.332 (10)	0.0521 (12)	0.444 (13)	0.021 (3)	−0.282 (10)	−0.013 (4)
Zn42	0.201 (12)	0.065 (3)	0.332 (16)	−0.036 (5)	−0.196 (11)	0.055 (6)
I404	0.218 (7)	0.226 (7)	0.394 (14)	−0.067 (5)	−0.176 (8)	0.155 (8)
N305	0.147 (13)	0.062 (3)	0.247 (14)	−0.015 (4)	−0.120 (12)	0.013 (5)
I406	0.282 (9)	0.095 (2)	0.387 (12)	−0.053 (4)	0.064 (9)	−0.092 (4)
Zn43	0.293 (14)	0.057 (3)	0.209 (9)	0.033 (5)	0.019 (9)	−0.001 (4)
I405	0.508 (18)	0.115 (3)	0.227 (6)	0.125 (7)	0.060 (9)	0.064 (4)
C334	0.119 (6)	0.077 (3)	0.149 (7)	−0.007 (3)	−0.052 (4)	0.005 (3)
C335	0.119 (6)	0.077 (3)	0.149 (7)	−0.007 (3)	−0.052 (4)	0.005 (3)
C326	0.166 (7)	0.068 (2)	0.164 (7)	0.019 (3)	−0.095 (6)	−0.010 (3)
C336	0.119 (6)	0.077 (3)	0.149 (7)	−0.007 (3)	−0.052 (4)	0.005 (3)
C333	0.119 (6)	0.077 (3)	0.149 (7)	−0.007 (3)	−0.052 (4)	0.005 (3)
C329	0.169 (10)	0.081 (3)	0.277 (15)	−0.009 (5)	−0.133 (10)	−0.005 (7)
N312	0.119 (6)	0.077 (3)	0.149 (7)	−0.007 (3)	−0.052 (4)	0.005 (3)
C315	0.176 (12)	0.057 (3)	0.179 (10)	0.005 (4)	−0.070 (9)	−0.009 (4)
C314	0.176 (12)	0.057 (3)	0.179 (10)	0.005 (4)	−0.070 (9)	−0.009 (4)
C332	0.119 (6)	0.077 (3)	0.149 (7)	−0.007 (3)	−0.052 (4)	0.005 (3)
N402	0.073 (9)	0.046 (3)	0.174 (8)	−0.030 (4)	−0.048 (8)	0.020 (3)
N404	0.073 (9)	0.046 (3)	0.174 (8)	−0.030 (4)	−0.048 (8)	0.020 (3)
N401	0.118 (10)	0.037 (4)	0.191 (10)	−0.032 (4)	−0.085 (8)	0.019 (5)
N403	0.073 (9)	0.046 (3)	0.174 (8)	−0.030 (4)	−0.048 (8)	0.020 (3)
C413	0.147 (13)	0.062 (3)	0.247 (14)	−0.015 (4)	−0.120 (12)	0.013 (5)
C408	0.073 (9)	0.046 (3)	0.174 (8)	−0.030 (4)	−0.048 (8)	0.020 (3)
C407	0.073 (9)	0.046 (3)	0.174 (8)	−0.030 (4)	−0.048 (8)	0.020 (3)
C406	0.073 (9)	0.046 (3)	0.174 (8)	−0.030 (4)	−0.048 (8)	0.020 (3)
C409	0.147 (13)	0.062 (3)	0.247 (14)	−0.015 (4)	−0.120 (12)	0.013 (5)
C403	0.118 (10)	0.037 (4)	0.191 (10)	−0.032 (4)	−0.085 (8)	0.019 (5)
C416	0.176 (12)	0.057 (3)	0.179 (10)	0.005 (4)	−0.070 (9)	−0.009 (4)
N406	0.176 (12)	0.057 (3)	0.179 (10)	0.005 (4)	−0.070 (9)	−0.009 (4)
C412	0.147 (13)	0.062 (3)	0.247 (14)	−0.015 (4)	−0.120 (12)	0.013 (5)
C402	0.118 (10)	0.037 (4)	0.191 (10)	−0.032 (4)	−0.085 (8)	0.019 (5)
C418	0.176 (12)	0.057 (3)	0.179 (10)	0.005 (4)	−0.070 (9)	−0.009 (4)
C401	0.118 (10)	0.037 (4)	0.191 (10)	−0.032 (4)	−0.085 (8)	0.019 (5)
C417	0.176 (12)	0.057 (3)	0.179 (10)	0.005 (4)	−0.070 (9)	−0.009 (4)
C411	0.147 (13)	0.062 (3)	0.247 (14)	−0.015 (4)	−0.120 (12)	0.013 (5)
C410	0.147 (13)	0.062 (3)	0.247 (14)	−0.015 (4)	−0.120 (12)	0.013 (5)
C405	0.118 (10)	0.037 (4)	0.191 (10)	−0.032 (4)	−0.085 (8)	0.019 (5)
C404	0.118 (10)	0.037 (4)	0.191 (10)	−0.032 (4)	−0.085 (8)	0.019 (5)
N405	0.147 (13)	0.062 (3)	0.247 (14)	−0.015 (4)	−0.120 (12)	0.013 (5)
C415	0.176 (12)	0.057 (3)	0.179 (10)	0.005 (4)	−0.070 (9)	−0.009 (4)
C414	0.176 (12)	0.057 (3)	0.179 (10)	0.005 (4)	−0.070 (9)	−0.009 (4)

Geometric parameters (Å, º)

I401—Zn41	2.557 (9)	C311—H311	0.9500
I402—Zn41	2.516 (8)	C311—C310	1.41 (2)
I303—Zn32	2.547 (13)	C311—N305	1.33 (3)
Zn41—N312^i	1.977 (16)	C310—H310	0.9500
Zn41—N401	2.23 (2)	C305—H305	0.9500
I305—Zn33	2.542 (6)	C305—C304	1.41 (2)
I306—Zn33	2.524 (7)	C304—H304	0.9500
I304—Zn32	2.542 (16)	I301—Zn31	2.519 (8)
Zn32—N311^ii	2.22 (3)	Zn31—I302	2.510 (9)
Zn32—N305	2.07 (3)	Zn31—N312^i	2.110 (15)
Zn33—N307	1.983 (17)	I403—Zn42	2.542 (13)
Zn33—N306	2.116 (19)	Zn42—I404	2.536 (17)
N311—C330	1.33 (3)	Zn42—N405	2.05 (3)
N311—Zn42^iii	1.90 (2)	I406—Zn43	2.504 (14)
N311—C329	1.33 (4)	Zn43—I405	2.517 (12)
N309—C325	1.33 (3)	Zn43—N406	2.12 (2)
N309—C324	1.38 (3)	C334—C335	1.39 (3)
N308—C324	1.36 (2)	C334—C326	1.45 (2)
N308—C326	1.24 (3)	C334—C333	1.40 (3)
N302—C308	1.37 (2)	C335—H335	0.9500
N302—C306	1.352 (18)	C335—C336	1.39 (2)
N304—C308	1.37 (2)	C336—H336	0.9500
N304—C307	1.276 (19)	C336—N312	1.32 (2)
N301—C301	1.38 (2)	C333—H333	0.9500
N301—C305	1.33 (2)	C333—C332	1.46 (2)
N301—Zn31	1.94 (2)	C329—H329	0.9500
N303—C307	1.37 (2)	N312—C332	1.29 (3)
N303—C306	1.270 (19)	C315—H315	0.9500
N310—C325	1.33 (2)	C315—C314	1.27 (3)
N310—C326	1.36 (3)	C314—H314	0.9500
C325—C327	1.47 (4)	C332—H332	0.9500
C327—C331	1.28 (5)	N402—C408	1.36 (2)
C327—C328	1.30 (3)	N402—C406	1.354 (18)
C331—H331	0.9500	N404—C408	1.36 (2)
C331—C330	1.34 (4)	N404—C407	1.28 (2)
C313—H313	0.9500	N401—C401	1.39 (2)
C313—C309	1.41 (3)	N401—C405	1.34 (2)
C313—C312	1.35 (2)	N403—C407	1.38 (2)
C324—C321	1.41 (3)	N403—C406	1.262 (19)
C308—C316	1.51 (2)	C413—H413	0.9500
C307—C309	1.42 (2)	C413—C409	1.41 (3)
C306—C303	1.48 (2)	C413—C412	1.35 (2)
C309—C310	1.44 (2)	C408—C416	1.50 (2)
C303—C302	1.34 (2)	C407—C409	1.42 (3)
C303—C304	1.35 (2)	C406—C403	1.48 (2)
C316—C317	1.35 (3)	C409—C410	1.44 (3)
C316—C315	1.31 (4)	C403—C402	1.34 (2)
C321—C322	1.3900	C403—C404	1.34 (2)
C321—C320	1.3900	C416—C417	1.35 (3)
C322—H322	0.9500	C416—C415	1.31 (4)
C322—C323	1.3900	N406—C418	1.33 (3)
C323—H323	0.9500	N406—C414	1.28 (3)
C323—N307	1.3900	C412—H412	0.9500
N307—C319	1.3900	C412—N405	1.33 (3)
N307—Zn43	2.34 (2)	C402—H402	0.9500
C319—H319	0.9500	C402—C401	1.44 (2)
C319—C320	1.3900	C418—H418	0.9500
C320—H320	0.9500	C418—C417	1.43 (3)
C330—H330	0.9500	C401—H401	0.9500
N306—C318	1.34 (3)	C417—H417	0.9500
N306—C314	1.28 (3)	C411—H411	0.9500
C312—H312	0.9500	C411—C410	1.41 (2)
C312—N305	1.33 (3)	C411—N405	1.33 (3)
C302—H302	0.9500	C410—H410	0.9500
C302—C301	1.43 (2)	C405—H405	0.9500
C328—H328	0.9500	C405—C404	1.41 (2)
C328—C329	1.41 (4)	C404—H404	0.9500
C318—H318	0.9500	C415—H415	0.9500
C318—C317	1.45 (3)	C415—C414	1.27 (3)
C301—H301	0.9500	C414—H414	0.9500
C317—H317	0.9500
I402—Zn41—I401	126.7 (4)	C305—C304—H304	120.2
N312^i—Zn41—I401	110.9 (7)	N301—Zn31—I301	111.1 (11)
N312^i—Zn41—I402	108.0 (7)	N301—Zn31—I302	103.3 (13)
N312^i—Zn41—N401	95.0 (8)	N301—Zn31—N312^i	99.7 (8)
N401—Zn41—I401	109.0 (11)	I302—Zn31—I301	126.5 (3)
N401—Zn41—I402	102.4 (12)	N312^i—Zn31—I301	105.7 (6)
I304—Zn32—I303	128.8 (7)	N312^i—Zn31—I302	107.4 (6)
N311^ii—Zn32—I303	98.0 (8)	N311^ii—Zn42—I403	112.3 (11)
N311^ii—Zn32—I304	115.7 (10)	N311^ii—Zn42—I404	100.1 (12)
N305—Zn32—I303	105.5 (11)	N311^ii—Zn42—N405	103.6 (13)
N305—Zn32—I304	104.6 (16)	I404—Zn42—I403	126.3 (6)
N305—Zn32—N311^ii	100.8 (16)	N405—Zn42—I403	104.8 (12)
I306—Zn33—I305	123.4 (3)	N405—Zn42—I404	107.8 (17)
N307—Zn33—I305	112.0 (6)	C312—N305—Zn32	121.2 (17)
N307—Zn33—I306	102.5 (6)	C312—N305—C311	115 (2)
N307—Zn33—N306	96.3 (14)	C311—N305—Zn32	123.0 (17)
N306—Zn33—I305	103.3 (8)	N307—Zn43—I406	120.4 (6)
N306—Zn33—I306	116.3 (10)	N307—Zn43—I405	95.2 (7)
C330—N311—Zn32^iii	116 (3)	I406—Zn43—I405	124.3 (5)
C330—N311—Zn42^iii	138 (3)	N406—Zn43—N307	93.9 (14)
C330—N311—C329	109 (3)	N406—Zn43—I406	115.9 (10)
C329—N311—Zn32^iii	134.1 (16)	N406—Zn43—I405	101.3 (9)
C329—N311—Zn42^iii	112.4 (18)	C335—C334—C326	121.0 (19)
C325—N309—C324	116.4 (15)	C335—C334—C333	120.6 (16)
C326—N308—C324	123 (2)	C333—C334—C326	118 (2)
C306—N302—C308	117.4 (14)	C334—C335—H335	120.3
C307—N304—C308	120.6 (15)	C334—C335—C336	119.5 (18)
C301—N301—Zn31	118.9 (12)	C336—C335—H335	120.3
C305—N301—C301	120.5 (17)	N308—C326—N310	122.0 (16)
C305—N301—Zn31	119.9 (14)	N308—C326—C334	119 (2)
C306—N303—C307	114.9 (15)	N310—C326—C334	119 (3)
C325—N310—C326	116 (2)	C335—C336—H336	119.1
N309—C325—C327	115.2 (19)	N312—C336—C335	122 (2)
N310—C325—N309	125 (2)	N312—C336—H336	119.1
N310—C325—C327	120 (3)	C334—C333—H333	123.3
C331—C327—C325	122 (2)	C334—C333—C332	113 (2)
C331—C327—C328	118 (3)	C332—C333—H333	123.3
C328—C327—C325	120 (4)	N311—C329—C328	127 (3)
C327—C331—H331	118.8	N311—C329—H329	116.7
C327—C331—C330	122 (3)	C328—C329—H329	116.7
C330—C331—H331	118.8	C336—N312—Zn41^iv	127.1 (16)
C309—C313—H313	119.8	C336—N312—Zn31^iv	121.8 (16)
C312—C313—H313	119.7	C332—N312—Zn41^iv	112.8 (12)
C312—C313—C309	120 (2)	C332—N312—Zn31^iv	117.8 (12)
N309—C324—C321	118.9 (15)	C332—N312—C336	119.4 (16)
N308—C324—N309	118 (2)	C316—C315—H315	119.0
N308—C324—C321	123 (2)	C314—C315—C316	122 (3)
N302—C308—N304	116.8 (16)	C314—C315—H315	119.0
N302—C308—C316	114.3 (18)	N306—C314—H314	117.0
N304—C308—C316	122.3 (18)	C315—C314—N306	126 (3)
N304—C307—N303	123.1 (16)	C315—C314—H314	117.0
N304—C307—C309	117.5 (16)	C333—C332—H332	117.3
N303—C307—C309	117.9 (18)	N312—C332—C333	125.4 (18)
N302—C306—C303	115.0 (14)	N312—C332—H332	117.3
N303—C306—N302	126.0 (16)	C406—N402—C408	114.4 (15)
N303—C306—C303	119.0 (15)	C407—N404—C408	118.4 (15)
C313—C309—C307	124 (2)	C401—N401—Zn41	116.9 (14)
C313—C309—C310	114.1 (19)	C405—N401—Zn41	122.7 (15)
C307—C309—C310	120 (2)	C405—N401—C401	116.8 (16)
C302—C303—C306	121.9 (16)	C406—N403—C407	117.3 (16)
C302—C303—C304	118.4 (16)	C409—C413—H413	119.8
C304—C303—C306	119.5 (16)	C412—C413—H413	119.8
C317—C316—C308	123 (2)	C412—C413—C409	120.5 (19)
C315—C316—C308	118 (3)	N402—C408—N404	121.4 (15)
C315—C316—C317	117.7 (18)	N402—C408—C416	116.8 (15)
C322—C321—C324	119.2 (13)	N404—C408—C416	121.4 (16)
C322—C321—C320	120.0	N404—C407—N403	122.0 (16)
C320—C321—C324	120.8 (13)	N404—C407—C409	120.6 (19)
C321—C322—H322	120.0	N403—C407—C409	117.0 (15)
C321—C322—C323	120.0	N402—C406—C403	114.2 (15)
C323—C322—H322	120.0	N403—C406—N402	125.0 (15)
C322—C323—H323	120.0	N403—C406—C403	119.9 (16)
N307—C323—C322	120.0	C413—C409—C407	124 (2)
N307—C323—H323	120.0	C413—C409—C410	115.5 (18)
C323—N307—Zn33	122.4 (9)	C407—C409—C410	118 (2)
C323—N307—Zn43	102.3 (9)	C402—C403—C406	119.8 (15)
C319—N307—Zn33	117.0 (10)	C404—C403—C406	122.1 (14)
C319—N307—C323	120.0	C404—C403—C402	117.1 (18)
C319—N307—Zn43	136.7 (8)	C417—C416—C408	117.8 (19)
N307—C319—H319	120.0	C415—C416—C408	118 (3)
N307—C319—C320	120.0	C415—C416—C417	121 (2)
C320—C319—H319	120.0	C418—N406—Zn43	110.0 (17)
C321—C320—H320	120.0	C414—N406—Zn43	130 (2)
C319—C320—C321	120.0	C414—N406—C418	118 (2)
C319—C320—H320	120.0	C413—C412—H412	118.8
N311—C330—C331	126 (4)	N405—C412—C413	122 (3)
N311—C330—H330	116.9	N405—C412—H412	118.8
C331—C330—H330	116.9	C403—C402—H402	120.2
C318—N306—Zn33	114.6 (18)	C403—C402—C401	119.7 (16)
C314—N306—Zn33	127 (2)	C401—C402—H402	120.2
C314—N306—C318	116 (2)	N406—C418—H418	120.8
C313—C312—H312	117.7	N406—C418—C417	118 (2)
N305—C312—C313	125 (2)	C417—C418—H418	120.8
N305—C312—H312	117.7	N401—C401—C402	117.8 (18)
C303—C302—H302	118.4	N401—C401—H401	121.1
C303—C302—C301	123.2 (17)	C402—C401—H401	121.1
C301—C302—H302	118.4	C416—C417—C418	115 (3)
C327—C328—H328	121.3	C416—C417—H417	122.6
C327—C328—C329	117 (4)	C418—C417—H417	122.6
C329—C328—H328	121.3	C410—C411—H411	118.5
N306—C318—H318	120.1	N405—C411—H411	118.5
N306—C318—C317	120 (2)	N405—C411—C410	123 (2)
C317—C318—H318	120.1	C409—C410—H410	121.0
N301—C301—C302	116.3 (16)	C411—C410—C409	118.0 (19)
N301—C301—H301	121.9	C411—C410—H410	121.0
C302—C301—H301	121.9	N401—C405—H405	121.6
C316—C317—C318	117 (3)	N401—C405—C404	116.7 (18)
C316—C317—H317	121.6	C404—C405—H405	121.6
C318—C317—H317	121.6	C403—C404—C405	123.2 (15)
C310—C311—H311	117.8	C403—C404—H404	118.4
N305—C311—H311	117.8	C405—C404—H404	118.4
N305—C311—C310	124 (2)	C412—N405—Zn42	115 (2)
C309—C310—H310	120.7	C411—N405—Zn42	124.3 (16)
C311—C310—C309	118.6 (19)	C411—N405—C412	118.7 (19)
C311—C310—H310	120.7	C416—C415—H415	120.1
N301—C305—H305	119.4	C414—C415—C416	120 (3)
N301—C305—C304	121.3 (17)	C414—C415—H415	120.1
C304—C305—H305	119.4	N406—C414—H414	117.8
C303—C304—C305	119.7 (16)	C415—C414—N406	124 (3)
C303—C304—H304	120.2	C415—C414—H414	117.8
Zn41^iv—N312—C332—C333	172.7 (11)	C310—C311—N305—Zn32	177 (5)
Zn41—N401—C401—C402	−170 (3)	C310—C311—N305—C312	−9 (9)
Zn41—N401—C405—C404	171 (3)	C305—N301—C301—C302	0 (5)
Zn32^iii—N311—C330—C331	−168.3 (16)	C304—C303—C302—C301	5 (6)
Zn32^iii—N311—C329—C328	166.4 (14)	Zn31—N301—C301—C302	−171 (3)
Zn33—N307—C319—C320	−171.1 (11)	Zn31—N301—C305—C304	177 (3)
Zn33—N306—C318—C317	−167 (5)	Zn31^iv—N312—C332—C333	169.8 (11)
Zn33—N306—C314—C315	175 (5)	Zn42^iii—N311—C330—C331	−173.5 (16)
N309—C325—C327—C331	163 (2)	Zn42^iii—N311—C329—C328	175.9 (16)
N309—C325—C327—C328	−17 (2)	N305—C311—C310—C309	3 (10)
N309—C324—C321—C322	−166.7 (10)	Zn43—N307—C319—C320	166.2 (15)
N309—C324—C321—C320	12 (2)	Zn43—N406—C418—C417	174 (5)
N308—C324—C321—C322	14 (2)	Zn43—N406—C414—C415	172 (4)
N308—C324—C321—C320	−167.5 (11)	C334—C335—C336—N312	−3 (2)
N302—C308—C316—C317	−164 (7)	C334—C333—C332—N312	−3 (2)
N302—C308—C316—C315	26 (9)	C335—C334—C326—N308	−179.0 (15)
N302—C306—C303—C302	−179 (3)	C335—C334—C326—N310	3 (2)
N302—C306—C303—C304	−3 (5)	C335—C334—C333—C332	2 (2)
N304—C308—C316—C317	−13 (10)	C335—C336—N312—Zn41^iv	−167.9 (11)
N304—C308—C316—C315	177 (6)	C335—C336—N312—Zn31^iv	−165.9 (11)
N304—C307—C309—C313	12 (10)	C335—C336—N312—C332	2 (2)
N304—C307—C309—C310	175 (6)	C326—N308—C324—N309	3 (2)
N301—C305—C304—C303	−7 (6)	C326—N308—C324—C321	−178.0 (17)
N303—C307—C309—C313	178 (6)	C326—N310—C325—N309	−3 (2)
N303—C307—C309—C310	−19 (10)	C326—N310—C325—C327	−175.0 (14)
N303—C306—C303—C302	2 (5)	C326—C334—C335—C336	176.9 (12)
N303—C306—C303—C304	178 (3)	C326—C334—C333—C332	−174.0 (12)
N310—C325—C327—C331	−24 (3)	C336—N312—C332—C333	1 (2)
N310—C325—C327—C328	155.6 (18)	C333—C334—C335—C336	1 (2)
C325—N309—C324—N308	−4.1 (19)	C333—C334—C326—N308	−3 (2)
C325—N309—C324—C321	176.7 (15)	C333—C334—C326—N310	178.3 (13)
C325—N310—C326—N308	2 (2)	C329—N311—C330—C331	1 (3)
C325—N310—C326—C334	179.7 (12)	C315—C316—C317—C318	12 (11)
C325—C327—C331—C330	179.0 (15)	C314—N306—C318—C317	−4 (8)
C325—C327—C328—C329	−178.3 (16)	N402—C408—C416—C417	174 (6)
C327—C331—C330—N311	−1 (4)	N402—C408—C416—C415	−25 (8)
C327—C328—C329—N311	−1 (4)	N402—C406—C403—C402	173 (3)
C331—C327—C328—C329	2 (3)	N402—C406—C403—C404	4 (5)
C313—C309—C310—C311	−4 (10)	N404—C408—C416—C417	−13 (10)
C313—C312—N305—Zn32	−169 (6)	N404—C408—C416—C415	148 (5)
C313—C312—N305—C311	17 (11)	N404—C407—C409—C413	−14 (11)
C324—N309—C325—N310	5 (2)	N404—C407—C409—C410	−177 (5)
C324—N309—C325—C327	176.6 (13)	N401—C405—C404—C403	10 (6)
C324—N308—C326—N310	−1 (2)	N403—C407—C409—C413	173 (6)
C324—N308—C326—C334	−179.6 (11)	N403—C407—C409—C410	11 (9)
C324—C321—C322—C323	178.5 (17)	N403—C406—C403—C402	4 (5)
C324—C321—C320—C319	−178.5 (17)	N403—C406—C403—C404	−165 (4)
C308—N302—C306—N303	−5 (5)	C413—C409—C410—C411	2 (10)
C308—N302—C306—C303	176 (3)	C413—C412—N405—Zn42	180 (6)
C308—N304—C307—N303	12 (5)	C413—C412—N405—C411	−16 (11)
C308—N304—C307—C309	178 (5)	C408—N402—C406—N403	−13 (5)
C308—C316—C317—C318	−158 (6)	C408—N402—C406—C403	178 (3)
C308—C316—C315—C314	167 (6)	C408—N404—C407—N403	6 (5)
C307—N304—C308—N302	−10 (4)	C408—N404—C407—C409	−167 (5)
C307—N304—C308—C316	−160 (5)	C408—C416—C417—C418	163 (6)
C307—N303—C306—N302	6 (4)	C408—C416—C415—C414	−174 (5)
C307—N303—C306—C303	−175 (3)	C407—N404—C408—N402	−7 (4)
C307—C309—C310—C311	−169 (7)	C407—N404—C408—C416	−180 (5)
C306—N302—C308—N304	6 (4)	C407—N403—C406—N402	13 (5)
C306—N302—C308—C316	159 (4)	C407—N403—C406—C403	−179 (3)
C306—N303—C307—N304	−10 (4)	C407—C409—C410—C411	166 (7)
C306—N303—C307—C309	−175 (5)	C406—N402—C408—N404	10 (4)
C306—C303—C302—C301	−178 (3)	C406—N402—C408—C416	−177 (5)
C306—C303—C304—C305	−175 (3)	C406—N403—C407—N404	−8 (5)
C309—C313—C312—N305	−19 (12)	C406—N403—C407—C409	164 (5)
C303—C302—C301—N301	−6 (5)	C406—C403—C402—C401	179 (3)
C316—C315—C314—N306	−10 (11)	C406—C403—C404—C405	−179 (4)
C321—C322—C323—N307	0.0	C409—C413—C412—N405	18 (12)
C322—C321—C320—C319	0.0	C403—C402—C401—N401	−9 (5)
C322—C323—N307—Zn33	170.6 (13)	C416—C415—C414—N406	7 (9)
C322—C323—N307—C319	0.0	N406—C418—C417—C416	14 (10)
C322—C323—N307—Zn43	−170.4 (10)	C412—C413—C409—C407	−173 (8)
C323—N307—C319—C320	0.0	C412—C413—C409—C410	−10 (11)
N307—C319—C320—C321	0.0	C402—C403—C404—C405	12 (6)
C320—C321—C322—C323	0.0	C418—N406—C414—C415	10 (8)
C330—N311—C329—C328	0 (3)	C401—N401—C405—C404	−31 (6)
N306—C318—C317—C316	−8 (10)	C417—C416—C415—C414	−13 (11)
C312—C313—C309—C307	175 (7)	C410—C411—N405—Zn42	170 (5)
C312—C313—C309—C310	12 (11)	C410—C411—N405—C412	7 (10)
C302—C303—C304—C305	1 (6)	C405—N401—C401—C402	31 (5)
C328—C327—C331—C330	−1 (4)	C404—C403—C402—C401	−12 (5)
C318—N306—C314—C315	14 (9)	N405—C411—C410—C409	−1 (10)
C301—N301—C305—C304	6 (6)	C415—C416—C417—C418	3 (11)
C317—C316—C315—C314	−4 (12)	C414—N406—C418—C417	−20 (8)

Symmetry codes: (i) x, −y+1, z−1/2; (ii) x+1/2, y−1/2, z; (iii) x−1/2, y+1/2, z; (iv) x, −y+1, z+1/2.

catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc (4_10_24b)

Crystal data

C36H24I6N12Zn3	F(000) = 5856
Mr = 1582.18	Dx = 1.402 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.2193 (11) Å	Cell parameters from 8098 reflections
b = 15.0730 (4) Å	θ = 2.6–71.7°
c = 29.5041 (12) Å	µ = 20.73 mm^−1
β = 99.979 (3)°	T = 100 K
V = 14987.6 (9) Å^3	Block, colourless
Z = 8	0.17 × 0.15 × 0.07 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	13632 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	9162 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.036
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −38→41
Absorption correction: analytical CrysAlisPro 1.171.41.89a (Rigaku Oxford Diffraction, 2020) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −18→17
Tmin = 0.091, Tmax = 0.323	l = −35→35
48842 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.060	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.210	w = 1/[σ^2(Fo^2) + (0.1271P)^2 + 3.478P] where P = (Fo^2 + 2Fc^2)/3
S = 1.10	(Δ/σ)max = 0.001
13632 reflections	Δρmax = 0.82 e Å^−3
612 parameters	Δρmin = −0.74 e Å^−3
93 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. No guests or solvent were identified from the electron density map, SQUEEZE has been applied to address the residual electron density within the pore. SQUEEZE analysis indicated one void with a volume of 834 Ang**3 and an electron count of 234. This is equivalent to 4.88 cyclohexane molecules or 1.80 BBA-8,12-OMe molecules.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I306	0.61824 (9)	0.26424 (15)	0.55516 (7)	0.0983 (5)	0.585 (3)
I305	0.52491 (8)	0.34086 (17)	0.64078 (7)	0.1001 (4)	0.585 (3)
I302	0.8773 (2)	0.2620 (2)	0.9318 (4)	0.270 (3)	0.694 (15)
Zn33	0.57992 (14)	0.3728 (3)	0.59542 (14)	0.0740 (6)	0.585 (3)
I304	0.62627 (7)	1.15716 (10)	0.69279 (6)	0.1466 (7)	0.543 (6)
I303	0.73111 (8)	1.23029 (11)	0.79670 (9)	0.1546 (8)	0.543 (6)
I301	0.83708 (15)	0.4492 (7)	1.0377 (2)	0.235 (3)	0.694 (15)
Zn31	0.86264 (19)	0.4130 (4)	0.9638 (3)	0.156 (2)	0.694 (15)
Zn32	0.67010 (9)	1.13797 (18)	0.77045 (11)	0.1128 (8)	0.543 (6)
N302	0.71849 (14)	0.5529 (3)	0.77795 (19)	0.1015 (16)
N306	0.55969 (15)	0.4754 (3)	0.55028 (19)	0.0907 (13)
N307	0.56643 (18)	0.7214 (3)	0.4405 (2)	0.1012 (16)
N309	0.53323 (19)	0.8558 (3)	0.4194 (2)	0.1095 (18)
N304	0.68154 (14)	0.6800 (3)	0.75196 (19)	0.0979 (15)
N310	0.4141 (2)	1.0156 (5)	0.4595 (3)	0.146 (3)
N303	0.73252 (15)	0.6888 (3)	0.81687 (19)	0.0997 (15)
N308	0.51351 (16)	0.7673 (3)	0.47787 (18)	0.1000 (15)
N00I	0.61889 (16)	0.4486 (3)	0.6429 (2)	0.1087 (18)
C321	0.54669 (19)	0.6269 (4)	0.4980 (2)	0.0909 (16)
C320	0.52324 (18)	0.6077 (4)	0.5295 (2)	0.0920 (17)
H320	0.502450	0.646689	0.534000	0.110*
C327	0.4777 (2)	0.9013 (4)	0.4548 (3)	0.112 (2)
C319	0.53019 (17)	0.5302 (4)	0.5549 (2)	0.0901 (15)
H319	0.513350	0.515818	0.576217	0.108*
C324	0.54270 (19)	0.7102 (4)	0.4696 (2)	0.0925 (17)
C325	0.5099 (2)	0.8387 (4)	0.4508 (3)	0.101 (2)
C316	0.66658 (17)	0.5426 (3)	0.7119 (2)	0.0968 (18)
C307	0.70431 (18)	0.7243 (3)	0.7853 (3)	0.0992 (19)
C326	0.5618 (2)	0.7957 (4)	0.4164 (3)	0.107 (2)
C308	0.68943 (16)	0.5941 (3)	0.7501 (2)	0.0951 (18)
C328	0.4617 (2)	0.9052 (4)	0.4926 (3)	0.116 (2)
H328	0.471888	0.869013	0.518344	0.139*
N305	0.6869 (3)	1.0035 (4)	0.7798 (3)	0.146 (3)
N301	0.82490 (19)	0.4704 (4)	0.9078 (3)	0.152 (3)
C306	0.73759 (18)	0.6023 (4)	0.8119 (3)	0.103 (2)
C303	0.76790 (18)	0.5578 (4)	0.8455 (3)	0.108 (2)
C323	0.5806 (2)	0.4912 (5)	0.5188 (3)	0.114 (2)
H323	0.599966	0.448736	0.513998	0.137*
C334	0.5874 (3)	0.8126 (5)	0.3835 (3)	0.117 (2)
N311	0.6389 (3)	0.8427 (4)	0.3224 (3)	0.149 (3)
C322	0.5764 (2)	0.5679 (5)	0.4912 (3)	0.111 (2)
H322	0.592882	0.578826	0.468998	0.134*
C315	0.6732 (2)	0.4560 (4)	0.7043 (3)	0.113 (2)
H315	0.694645	0.426198	0.722913	0.136*
C314	0.6492 (2)	0.4104 (4)	0.6698 (3)	0.118 (2)
H314	0.654495	0.349556	0.665149	0.142*
C302	0.7913 (2)	0.6029 (4)	0.8805 (3)	0.134 (3)
H302	0.788236	0.665088	0.883884	0.161*
C329	0.4301 (2)	0.9620 (4)	0.4949 (3)	0.129 (2)
H329	0.419156	0.963344	0.522335	0.154*
C309	0.6988 (2)	0.8229 (4)	0.7863 (3)	0.106 (2)
C310	0.7197 (3)	0.8777 (4)	0.8177 (4)	0.131 (3)
H310	0.738819	0.854573	0.842079	0.158*
C301	0.8196 (2)	0.5561 (5)	0.9112 (3)	0.146 (4)
H301	0.835643	0.587596	0.935519	0.175*
C335	0.5795 (3)	0.8785 (6)	0.3502 (4)	0.141 (3)
H335	0.556097	0.913519	0.346864	0.169*
C304	0.7738 (2)	0.4682 (4)	0.8435 (4)	0.150 (4)
H304	0.757675	0.433818	0.820555	0.180*
C336	0.6071 (4)	0.8899 (7)	0.3229 (4)	0.160 (4)
H336	0.602723	0.937740	0.301619	0.192*
C311	0.7127 (3)	0.9687 (5)	0.8138 (5)	0.154 (4)
H311	0.726950	1.007160	0.836336	0.185*
C317	0.6406 (6)	0.5876 (6)	0.6768 (6)	0.115 (6)	0.65 (3)
H317	0.639209	0.650567	0.676382	0.139*	0.65 (3)
C333	0.6213 (4)	0.7639 (6)	0.3847 (4)	0.146 (3)
H333	0.626721	0.717216	0.406513	0.175*
C305	0.8027 (3)	0.4279 (5)	0.8744 (4)	0.167 (5)
H305	0.806766	0.366025	0.871396	0.200*
C318	0.6174 (6)	0.5378 (6)	0.6430 (7)	0.115 (6)	0.65 (3)
H318	0.599911	0.567447	0.619254	0.139*	0.65 (3)
C332	0.6477 (4)	0.7795 (6)	0.3556 (4)	0.159 (4)
H332	0.671751	0.746922	0.358613	0.191*
C312	0.6652 (4)	0.9506 (6)	0.7514 (4)	0.168 (4)
H312	0.644588	0.975422	0.729258	0.202*
C313	0.6704 (3)	0.8607 (5)	0.7516 (3)	0.153 (4)
H313	0.655049	0.824527	0.728870	0.183*
C331	0.4640 (3)	0.9539 (7)	0.4164 (4)	0.164 (3)
H331	0.475123	0.953605	0.389119	0.196*
I402	0.8888 (3)	0.2586 (4)	0.9062 (5)	0.229 (4)	0.306 (15)
Zn41	0.8723 (4)	0.3985 (7)	0.9429 (5)	0.135 (4)	0.306 (15)
I401	0.8487 (3)	0.4058 (7)	1.0189 (4)	0.194 (3)	0.306 (15)
I403	0.7536 (2)	1.2122 (2)	0.8279 (3)	0.250 (4)	0.457 (6)
Zn42	0.6906 (3)	1.1429 (2)	0.7891 (3)	0.171 (2)	0.457 (6)
I404	0.6569 (4)	1.1851 (3)	0.7086 (2)	0.292 (5)	0.457 (6)
C330	0.4307 (3)	1.0092 (7)	0.4230 (5)	0.170 (4)
H330	0.419558	1.045146	0.397600	0.204*
Zn43	0.5736 (2)	0.3797 (5)	0.6024 (3)	0.123 (3)	0.389 (3)
I405	0.51710 (18)	0.3505 (5)	0.6437 (2)	0.186 (3)	0.389 (3)
I406	0.61076 (16)	0.2626 (2)	0.56423 (17)	0.158 (2)	0.389 (3)
I506	0.6395 (5)	0.2792 (11)	0.5446 (5)	0.080*	0.0267 (11)
I505	0.5424 (5)	0.3242 (11)	0.6206 (6)	0.080*	0.0267 (11)
Zn53	0.5953 (10)	0.375 (3)	0.5804 (13)	0.080*	0.0267 (11)
C418	0.6050 (6)	0.5232 (14)	0.6596 (9)	0.115 (6)	0.35 (3)
H418	0.578333	0.540661	0.648805	0.18 (10)*	0.35 (3)
C417	0.6285 (6)	0.5752 (13)	0.6923 (9)	0.115 (6)	0.35 (3)
H417	0.619443	0.630950	0.701254	0.3 (3)*	0.35 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I306	0.1139 (12)	0.0540 (6)	0.1178 (6)	0.0177 (6)	−0.0055 (6)	0.0033 (4)
I305	0.0968 (7)	0.0962 (8)	0.0969 (7)	−0.0234 (6)	−0.0123 (6)	−0.0066 (6)
I302	0.232 (3)	0.0638 (9)	0.410 (6)	−0.0082 (12)	−0.237 (4)	0.0216 (16)
Zn33	0.0791 (11)	0.0461 (12)	0.0837 (10)	0.0014 (9)	−0.0225 (8)	0.0045 (9)
I304	0.2177 (17)	0.0643 (6)	0.1389 (9)	0.0220 (8)	−0.0221 (10)	0.0121 (5)
I303	0.1642 (14)	0.0612 (6)	0.2360 (19)	−0.0259 (7)	0.0282 (13)	−0.0475 (8)
I301	0.1419 (16)	0.300 (5)	0.229 (3)	−0.056 (2)	−0.0660 (18)	0.149 (3)
Zn31	0.127 (2)	0.087 (2)	0.208 (5)	−0.0356 (18)	−0.102 (3)	0.051 (2)
Zn32	0.1429 (18)	0.0422 (9)	0.1383 (17)	0.0069 (10)	−0.0173 (13)	−0.0089 (9)
N302	0.096 (3)	0.040 (2)	0.140 (4)	−0.008 (2)	−0.058 (3)	0.006 (2)
N306	0.089 (3)	0.062 (3)	0.106 (3)	0.009 (2)	−0.024 (3)	−0.004 (2)
N307	0.109 (3)	0.067 (3)	0.107 (3)	−0.004 (3)	−0.039 (3)	0.012 (3)
N309	0.112 (4)	0.062 (3)	0.128 (4)	−0.008 (3)	−0.053 (3)	0.010 (3)
N304	0.095 (3)	0.043 (2)	0.134 (4)	−0.003 (2)	−0.042 (3)	0.005 (2)
N310	0.124 (5)	0.080 (4)	0.196 (6)	0.015 (4)	−0.080 (4)	−0.006 (4)
N303	0.103 (3)	0.044 (2)	0.130 (4)	−0.010 (2)	−0.042 (3)	0.007 (2)
N308	0.103 (3)	0.065 (3)	0.108 (3)	0.001 (2)	−0.050 (3)	0.006 (2)
N00I	0.114 (3)	0.045 (2)	0.137 (4)	−0.006 (2)	−0.061 (3)	0.003 (2)
C321	0.093 (3)	0.063 (3)	0.098 (3)	0.001 (3)	−0.033 (3)	−0.005 (3)
C320	0.090 (3)	0.061 (3)	0.105 (4)	−0.002 (3)	−0.042 (3)	−0.006 (3)
C327	0.106 (4)	0.056 (3)	0.143 (4)	−0.006 (3)	−0.067 (3)	0.006 (3)
C319	0.088 (3)	0.065 (3)	0.099 (3)	0.002 (3)	−0.033 (3)	−0.005 (3)
C324	0.095 (3)	0.057 (3)	0.105 (4)	0.002 (3)	−0.042 (3)	0.004 (3)
C325	0.097 (4)	0.062 (3)	0.118 (4)	−0.007 (3)	−0.053 (4)	0.006 (3)
C316	0.090 (3)	0.046 (3)	0.132 (4)	−0.003 (2)	−0.046 (3)	0.005 (3)
C307	0.099 (3)	0.037 (2)	0.142 (5)	0.000 (2)	−0.033 (3)	0.000 (3)
C326	0.108 (4)	0.070 (4)	0.122 (5)	−0.010 (3)	−0.038 (4)	0.008 (3)
C308	0.082 (3)	0.044 (2)	0.140 (5)	−0.006 (2)	−0.037 (3)	0.009 (3)
C328	0.119 (4)	0.057 (3)	0.145 (5)	0.018 (3)	−0.053 (4)	−0.006 (4)
N305	0.199 (7)	0.041 (3)	0.181 (6)	0.012 (4)	−0.013 (6)	0.007 (3)
N301	0.124 (4)	0.065 (3)	0.222 (7)	−0.032 (3)	−0.100 (5)	0.046 (4)
C306	0.098 (3)	0.044 (3)	0.146 (5)	−0.008 (3)	−0.041 (4)	0.008 (3)
C303	0.101 (3)	0.049 (3)	0.146 (5)	−0.016 (3)	−0.062 (4)	0.010 (3)
C323	0.109 (4)	0.069 (4)	0.153 (6)	0.021 (4)	−0.009 (5)	0.015 (4)
C334	0.134 (5)	0.071 (4)	0.127 (5)	−0.009 (4)	−0.032 (5)	0.000 (4)
N311	0.220 (9)	0.060 (4)	0.162 (6)	−0.015 (5)	0.015 (6)	−0.007 (4)
C322	0.114 (4)	0.078 (4)	0.132 (5)	0.021 (4)	−0.009 (4)	0.021 (4)
C315	0.111 (4)	0.057 (3)	0.141 (5)	0.008 (3)	−0.064 (4)	−0.005 (3)
C314	0.124 (4)	0.053 (3)	0.144 (5)	0.003 (3)	−0.067 (4)	0.001 (3)
C302	0.136 (5)	0.052 (3)	0.176 (7)	−0.020 (3)	−0.083 (5)	0.016 (4)
C329	0.116 (4)	0.063 (3)	0.174 (6)	0.011 (3)	−0.068 (4)	−0.013 (4)
C309	0.113 (4)	0.048 (3)	0.143 (5)	−0.001 (3)	−0.018 (4)	0.006 (3)
C310	0.135 (5)	0.044 (3)	0.193 (8)	−0.004 (3)	−0.036 (5)	−0.010 (4)
C301	0.146 (6)	0.066 (4)	0.181 (7)	−0.036 (4)	−0.097 (6)	0.028 (4)
C335	0.159 (7)	0.104 (6)	0.145 (7)	−0.018 (6)	−0.011 (6)	0.032 (5)
C304	0.119 (5)	0.049 (3)	0.234 (9)	−0.008 (3)	−0.107 (6)	0.006 (4)
C336	0.211 (11)	0.086 (6)	0.176 (9)	−0.001 (7)	0.019 (9)	0.019 (6)
C311	0.158 (7)	0.061 (4)	0.233 (11)	−0.027 (5)	0.006 (8)	−0.037 (6)
C317	0.123 (8)	0.037 (3)	0.153 (9)	−0.009 (4)	−0.071 (8)	0.016 (4)
C333	0.183 (9)	0.081 (5)	0.168 (8)	0.012 (6)	0.016 (8)	0.017 (5)
C305	0.140 (6)	0.064 (4)	0.244 (10)	−0.013 (4)	−0.110 (7)	0.021 (5)
C318	0.123 (8)	0.037 (3)	0.153 (9)	−0.009 (4)	−0.071 (8)	0.016 (4)
C332	0.227 (11)	0.070 (5)	0.187 (9)	0.014 (6)	0.050 (10)	0.017 (5)
C312	0.248 (12)	0.067 (5)	0.166 (8)	0.039 (6)	−0.030 (8)	−0.016 (5)
C313	0.199 (9)	0.062 (4)	0.164 (7)	0.024 (5)	−0.065 (7)	0.000 (4)
C331	0.151 (6)	0.123 (7)	0.189 (7)	0.038 (5)	−0.048 (5)	0.052 (6)
I402	0.222 (4)	0.0574 (14)	0.336 (8)	0.035 (2)	−0.155 (5)	−0.014 (3)
Zn41	0.125 (5)	0.059 (2)	0.180 (7)	−0.011 (2)	−0.089 (5)	0.023 (4)
I401	0.128 (3)	0.202 (5)	0.216 (5)	−0.032 (3)	−0.069 (3)	0.091 (4)
I403	0.272 (5)	0.0867 (15)	0.434 (8)	−0.074 (2)	0.183 (6)	−0.108 (3)
Zn42	0.281 (7)	0.0450 (13)	0.201 (5)	0.018 (3)	0.082 (5)	0.002 (2)
I404	0.570 (12)	0.117 (2)	0.224 (4)	0.170 (5)	0.168 (6)	0.088 (3)
C330	0.146 (7)	0.111 (7)	0.221 (9)	0.049 (6)	−0.057 (6)	0.053 (7)
Zn43	0.119 (5)	0.053 (2)	0.165 (6)	−0.011 (2)	−0.066 (4)	−0.003 (3)
I405	0.175 (4)	0.165 (4)	0.187 (4)	−0.061 (3)	−0.056 (3)	0.005 (3)
I406	0.130 (2)	0.0532 (11)	0.258 (4)	−0.0047 (10)	−0.057 (3)	−0.0215 (18)
C418	0.123 (8)	0.037 (3)	0.153 (9)	−0.009 (4)	−0.071 (8)	0.016 (4)
C417	0.123 (8)	0.037 (3)	0.153 (9)	−0.009 (4)	−0.071 (8)	0.016 (4)

Geometric parameters (Å, º)

I306—Zn33	2.520 (5)	N301—C301	1.312 (10)
I305—Zn33	2.538 (5)	N301—C305	1.303 (10)
I302—Zn31	2.547 (6)	N301—Zn41	2.073 (11)
Zn33—N306	2.079 (6)	C306—C303	1.466 (8)
Zn33—N00I	2.096 (6)	C303—C302	1.373 (9)
I304—Zn32	2.528 (3)	C303—C304	1.368 (9)
I303—Zn32	2.517 (3)	C323—H323	0.9500
I301—Zn31	2.546 (6)	C323—C322	1.408 (10)
Zn31—N310^i	2.087 (10)	C334—C335	1.389 (12)
Zn31—N301	2.099 (7)	C334—C333	1.369 (13)
Zn32—N305	2.112 (6)	N311—C336	1.303 (14)
Zn32—N311^ii	2.034 (10)	N311—C332	1.363 (13)
N302—C308	1.328 (7)	N311—Zn42^iv	2.177 (12)
N302—C306	1.326 (8)	C322—H322	0.9500
N306—C319	1.329 (8)	C315—H315	0.9500
N306—C323	1.289 (10)	C315—C314	1.376 (8)
N306—Zn43	2.102 (9)	C314—H314	0.9500
N306—Zn53	2.05 (4)	C302—H302	0.9500
N307—C324	1.292 (9)	C302—C301	1.398 (9)
N307—C326	1.321 (9)	C329—H329	0.9500
N309—C325	1.350 (10)	C309—C310	1.350 (10)
N309—C326	1.347 (10)	C309—C313	1.404 (10)
N304—C307	1.326 (8)	C310—H310	0.9500
N304—C308	1.326 (7)	C310—C311	1.395 (11)
N310—C329	1.357 (11)	C301—H301	0.9500
N310—Zn41^iii	1.928 (13)	C335—H335	0.9500
N310—C330	1.304 (15)	C335—C336	1.356 (15)
N303—C307	1.332 (7)	C304—H304	0.9500
N303—C306	1.328 (7)	C304—C305	1.365 (9)
N308—C324	1.372 (9)	C336—H336	0.9500
N308—C325	1.332 (8)	C311—H311	0.9500
N00I—C314	1.323 (7)	C317—H317	0.9500
N00I—C318	1.347 (9)	C317—C318	1.383 (10)
N00I—Zn43	2.065 (9)	C333—H333	0.9500
N00I—Zn53	2.19 (4)	C333—C332	1.369 (15)
N00I—C418	1.349 (15)	C305—H305	0.9500
C321—C320	1.360 (9)	C318—H318	0.9500
C321—C324	1.502 (9)	C332—H332	0.9500
C321—C322	1.390 (10)	C312—H312	0.9500
C320—H320	0.9500	C312—C313	1.365 (11)
C320—C319	1.385 (9)	C313—H313	0.9500
C327—C325	1.469 (11)	C331—H331	0.9500
C327—C328	1.328 (12)	C331—C330	1.451 (16)
C327—C331	1.395 (11)	I402—Zn41	2.480 (11)
C319—H319	0.9500	Zn41—I401	2.512 (12)
C316—C308	1.477 (8)	Zn41—C330^i	2.58 (2)
C316—C315	1.351 (8)	I403—Zn42	2.489 (7)
C316—C317	1.415 (10)	Zn42—I404	2.535 (7)
C316—C417	1.417 (14)	C330—H330	0.9500
C307—C309	1.499 (7)	Zn43—I405	2.497 (9)
C326—C334	1.439 (12)	Zn43—I406	2.549 (9)
C328—H328	0.9500	I506—Zn53	2.45 (4)
C328—C329	1.390 (11)	I505—Zn53	2.45 (4)
N305—C311	1.324 (14)	C418—H418	0.9500
N305—C312	1.296 (13)	C418—C417	1.386 (14)
N305—Zn42	2.120 (7)	C417—H417	0.9500
I306—Zn33—I305	128.3 (2)	C336—N311—Zn42^iv	134.2 (8)
N306—Zn33—I306	108.9 (3)	C332—N311—Zn32^iv	124.3 (9)
N306—Zn33—I305	106.5 (3)	C332—N311—Zn42^iv	107.4 (9)
N306—Zn33—N00I	97.2 (3)	C321—C322—C323	116.4 (8)
N00I—Zn33—I306	110.2 (3)	C321—C322—H322	121.8
N00I—Zn33—I305	101.3 (3)	C323—C322—H322	121.8
I301—Zn31—I302	128.9 (3)	C316—C315—H315	119.7
N310^i—Zn31—I302	102.5 (4)	C316—C315—C314	120.6 (5)
N310^i—Zn31—I301	111.1 (4)	C314—C315—H315	119.7
N310^i—Zn31—N301	98.7 (4)	N00I—C314—C315	122.2 (6)
N301—Zn31—I302	102.2 (3)	N00I—C314—H314	118.9
N301—Zn31—I301	109.3 (4)	C315—C314—H314	118.9
I303—Zn32—I304	123.08 (15)	C303—C302—H302	120.5
N305—Zn32—I304	109.5 (3)	C303—C302—C301	119.1 (6)
N305—Zn32—I303	107.3 (3)	C301—C302—H302	120.5
N311^ii—Zn32—I304	111.1 (3)	N310—C329—C328	122.9 (10)
N311^ii—Zn32—I303	101.8 (3)	N310—C329—H329	118.5
N311^ii—Zn32—N305	101.9 (4)	C328—C329—H329	118.5
C306—N302—C308	115.0 (5)	C310—C309—C307	124.4 (6)
C319—N306—Zn33	124.9 (5)	C310—C309—C313	118.0 (6)
C319—N306—Zn43	115.6 (5)	C313—C309—C307	117.5 (6)
C319—N306—Zn53	145.2 (11)	C309—C310—H310	120.6
C323—N306—Zn33	115.7 (4)	C309—C310—C311	118.8 (8)
C323—N306—C319	119.0 (6)	C311—C310—H310	120.6
C323—N306—Zn43	124.8 (5)	N301—C301—C302	122.4 (6)
C323—N306—Zn53	95.0 (11)	N301—C301—H301	118.8
C324—N307—C326	116.0 (7)	C302—C301—H301	118.8
C326—N309—C325	116.1 (6)	C334—C335—H335	121.9
C307—N304—C308	115.1 (4)	C336—C335—C334	116.2 (11)
C329—N310—Zn31^iii	119.5 (9)	C336—C335—H335	121.9
C329—N310—Zn41^iii	141.0 (11)	C303—C304—H304	119.8
C330—N310—Zn31^iii	125.5 (7)	C305—C304—C303	120.4 (6)
C330—N310—C329	114.5 (8)	C305—C304—H304	119.8
C330—N310—Zn41^iii	104.5 (8)	N311—C336—C335	127.4 (10)
C306—N303—C307	114.3 (5)	N311—C336—H336	116.3
C325—N308—C324	113.4 (7)	C335—C336—H336	116.3
C314—N00I—Zn33	120.4 (4)	N305—C311—C310	122.3 (9)
C314—N00I—C318	117.3 (6)	N305—C311—H311	118.8
C314—N00I—Zn43	124.1 (4)	C310—C311—H311	118.8
C314—N00I—Zn53	114.9 (11)	C316—C317—H317	120.8
C314—N00I—C418	115.6 (10)	C318—C317—C316	118.5 (7)
C318—N00I—Zn33	121.8 (5)	C318—C317—H317	120.8
C418—N00I—Zn43	110.7 (8)	C334—C333—H333	118.7
C320—C321—C324	123.5 (6)	C334—C333—C332	122.7 (10)
C320—C321—C322	119.7 (6)	C332—C333—H333	118.7
C322—C321—C324	116.8 (7)	N301—C305—C304	123.1 (7)
C321—C320—H320	120.6	N301—C305—H305	118.4
C321—C320—C319	118.8 (6)	C304—C305—H305	118.4
C319—C320—H320	120.6	N00I—C318—C317	121.8 (7)
C328—C327—C325	121.3 (6)	N00I—C318—H318	119.1
C328—C327—C331	121.8 (8)	C317—C318—H318	119.1
C331—C327—C325	116.9 (10)	N311—C332—C333	119.0 (11)
N306—C319—C320	122.1 (7)	N311—C332—H332	120.5
N306—C319—H319	118.9	C333—C332—H332	120.5
C320—C319—H319	118.9	N305—C312—H312	118.4
N307—C324—N308	126.6 (6)	N305—C312—C313	123.2 (10)
N307—C324—C321	118.3 (6)	C313—C312—H312	118.4
N308—C324—C321	115.1 (7)	C309—C313—H313	120.6
N309—C325—C327	118.2 (6)	C312—C313—C309	118.7 (8)
N308—C325—N309	124.0 (7)	C312—C313—H313	120.6
N308—C325—C327	117.7 (8)	C327—C331—H331	123.8
C315—C316—C308	123.5 (5)	C327—C331—C330	112.3 (12)
C315—C316—C317	116.4 (7)	C330—C331—H331	123.8
C315—C316—C417	115.8 (9)	N310^i—Zn41—N301	105.0 (5)
C317—C316—C308	119.3 (6)	N310^i—Zn41—I402	117.8 (7)
C417—C316—C308	117.2 (9)	N310^i—Zn41—I401	94.8 (6)
N304—C307—N303	125.3 (5)	N310^i—Zn41—C330^i	29.3 (4)
N304—C307—C309	117.0 (5)	N301—Zn41—I402	116.3 (5)
N303—C307—C309	117.6 (5)	N301—Zn41—I401	94.5 (6)
N307—C326—N309	123.8 (8)	N301—Zn41—C330^i	100.0 (6)
N307—C326—C334	118.9 (7)	I402—Zn41—I401	124.0 (6)
N309—C326—C334	117.3 (7)	I402—Zn41—C330^i	96.6 (6)
N302—C308—C316	117.9 (5)	I401—Zn41—C330^i	124.0 (5)
N304—C308—N302	124.6 (5)	N305—Zn42—N311^ii	97.0 (4)
N304—C308—C316	117.3 (5)	N305—Zn42—I403	120.2 (4)
C327—C328—H328	119.8	N305—Zn42—I404	96.9 (3)
C327—C328—C329	120.3 (7)	N311^ii—Zn42—I403	117.3 (4)
C329—C328—H328	119.8	N311^ii—Zn42—I404	97.2 (4)
C311—N305—Zn32	127.6 (6)	I403—Zn42—I404	122.9 (2)
C311—N305—Zn42	106.1 (7)	N310—C330—C331	128.1 (9)
C312—N305—Zn32	113.2 (7)	N310—C330—Zn41^iii	46.3 (6)
C312—N305—C311	118.6 (7)	N310—C330—H330	116.0
C312—N305—Zn42	135.1 (7)	C331—C330—Zn41^iii	174.4 (10)
C301—N301—Zn31	114.8 (6)	C331—C330—H330	116.0
C301—N301—Zn41	125.6 (5)	N306—Zn43—I405	112.5 (4)
C305—N301—Zn31	126.3 (5)	N306—Zn43—I406	102.6 (4)
C305—N301—C301	118.2 (6)	N00I—Zn43—N306	97.5 (4)
C305—N301—Zn41	115.2 (6)	N00I—Zn43—I405	111.9 (4)
N302—C306—N303	125.3 (5)	N00I—Zn43—I406	102.8 (4)
N302—C306—C303	116.9 (5)	I405—Zn43—I406	125.5 (4)
N303—C306—C303	117.8 (5)	N306—Zn53—N00I	95.3 (16)
C302—C303—C306	122.2 (6)	N306—Zn53—I506	127.8 (17)
C304—C303—C306	121.0 (5)	N306—Zn53—I505	90.3 (14)
C304—C303—C302	116.7 (5)	N00I—Zn53—I506	119.8 (15)
N306—C323—H323	118.1	N00I—Zn53—I505	86.9 (13)
N306—C323—C322	123.7 (7)	I505—Zn53—I506	126.0 (18)
C322—C323—H323	118.1	N00I—C418—H418	119.1
C335—C334—C326	122.5 (9)	N00I—C418—C417	121.8 (14)
C333—C334—C326	120.0 (8)	C417—C418—H418	119.1
C333—C334—C335	117.5 (10)	C316—C417—H417	121.0
Zn32^iv—N311—Zn42^iv	22.0 (2)	C418—C417—C316	118.0 (13)
C336—N311—Zn32^iv	118.6 (8)	C418—C417—H417	121.0
C336—N311—C332	117.0 (11)
Zn33—N306—C319—C320	166.6 (4)	C328—C327—C325—N309	−159.1 (6)
Zn33—N306—C323—C322	−167.0 (6)	C328—C327—C325—N308	22.5 (8)
Zn33—N00I—C314—C315	−173.7 (7)	C328—C327—C331—C330	−1.4 (13)
Zn33—N00I—C318—C317	174.1 (11)	N305—C312—C313—C309	4 (2)
Zn31^iii—N310—C329—C328	172.9 (5)	C306—N302—C308—N304	6.6 (11)
Zn31^iii—N310—C330—C331	−173.3 (9)	C306—N302—C308—C316	−179.3 (7)
Zn31—N301—C301—C302	−170.7 (9)	C306—N303—C307—N304	2.0 (11)
Zn31—N301—C305—C304	168.1 (10)	C306—N303—C307—C309	−175.4 (7)
Zn32—N305—C311—C310	176.2 (8)	C306—C303—C302—C301	−179.9 (9)
Zn32—N305—C312—C313	−179.1 (11)	C306—C303—C304—C305	178.6 (10)
Zn32^iv—N311—C336—C335	169.9 (10)	C303—C302—C301—N301	0.3 (16)
Zn32^iv—N311—C332—C333	−170.3 (8)	C303—C304—C305—N301	3 (2)
N302—C306—C303—C302	176.0 (8)	C323—N306—C319—C320	−5.4 (8)
N302—C306—C303—C304	−4.9 (12)	C334—C335—C336—N311	4.5 (18)
N306—C323—C322—C321	−2.4 (11)	C334—C333—C332—N311	−4.0 (17)
N307—C326—C334—C335	166.0 (7)	C322—C321—C320—C319	1.5 (8)
N307—C326—C334—C333	−14.9 (10)	C322—C321—C324—N307	0.9 (8)
N309—C326—C334—C335	−11.4 (10)	C322—C321—C324—N308	−179.0 (5)
N309—C326—C334—C333	167.7 (7)	C315—C316—C308—N302	1.3 (11)
N304—C307—C309—C310	−179.7 (8)	C315—C316—C308—N304	175.9 (7)
N304—C307—C309—C313	−0.5 (12)	C315—C316—C317—C318	14.2 (19)
N303—C307—C309—C310	−2.2 (12)	C315—C316—C417—C418	−14 (3)
N303—C307—C309—C313	177.0 (9)	C314—N00I—C318—C317	−15 (2)
N303—C306—C303—C302	−1.5 (12)	C314—N00I—C418—C417	24 (3)
N303—C306—C303—C304	177.6 (9)	C302—C303—C304—C305	−2.2 (16)
N00I—C418—C417—C316	−7 (3)	C329—N310—C330—C331	−1.4 (18)
C321—C320—C319—N306	1.8 (8)	C329—N310—C330—Zn41^iii	178.8 (10)
C320—C321—C324—N307	−179.6 (5)	C309—C310—C311—N305	−1.4 (17)
C320—C321—C324—N308	0.5 (7)	C310—C309—C313—C312	0.1 (17)
C320—C321—C322—C323	−1.3 (9)	C301—N301—C305—C304	−1.2 (19)
C327—C328—C329—N310	−0.2 (11)	C335—C334—C333—C332	2.1 (15)
C327—C331—C330—N310	1.9 (18)	C304—C303—C302—C301	0.9 (14)
C319—N306—C323—C322	5.7 (10)	C336—N311—C332—C333	5.7 (16)
C324—N307—C326—N309	−3.1 (9)	C311—N305—C312—C313	−7 (2)
C324—N307—C326—C334	179.7 (5)	C317—C316—C308—N302	−168.3 (14)
C324—N308—C325—N309	−2.3 (7)	C317—C316—C308—N304	6.3 (16)
C324—N308—C325—C327	176.1 (5)	C317—C316—C315—C314	−14.4 (17)
C324—C321—C320—C319	−178.1 (5)	C333—C334—C335—C336	−2.0 (13)
C324—C321—C322—C323	178.3 (6)	C305—N301—C301—C302	−0.1 (17)
C325—N309—C326—N307	3.2 (8)	C318—N00I—C314—C315	14.8 (18)
C325—N309—C326—C334	−179.5 (5)	C332—N311—C336—C335	−6.4 (18)
C325—N308—C324—N307	2.5 (8)	C312—N305—C311—C310	5.7 (17)
C325—N308—C324—C321	−177.6 (4)	C313—C309—C310—C311	−1.4 (15)
C325—C327—C328—C329	−177.0 (6)	C331—C327—C325—N309	23.1 (9)
C325—C327—C331—C330	176.4 (8)	C331—C327—C325—N308	−155.4 (7)
C316—C315—C314—N00I	−0.1 (14)	C331—C327—C328—C329	0.7 (11)
C316—C317—C318—N00I	0 (2)	Zn41^iii—N310—C329—C328	178.7 (8)
C307—N304—C308—N302	−2.1 (11)	Zn41^iii—N310—C330—C331	179.8 (11)
C307—N304—C308—C316	−176.3 (7)	Zn41—N301—C301—C302	167.7 (10)
C307—N303—C306—N302	3.2 (11)	Zn41—N301—C305—C304	−170.3 (11)
C307—N303—C306—C303	−179.5 (7)	Zn42—N305—C311—C310	−177.2 (9)
C307—C309—C310—C311	177.8 (9)	Zn42—N305—C312—C313	176.7 (10)
C307—C309—C313—C312	−179.2 (11)	Zn42^iv—N311—C336—C335	−170.5 (9)
C326—N307—C324—N308	0.0 (8)	Zn42^iv—N311—C332—C333	173.9 (9)
C326—N307—C324—C321	−179.9 (5)	C330—N310—C329—C328	0.5 (12)
C326—N309—C325—N308	−0.3 (8)	Zn43—N306—C319—C320	165.7 (5)
C326—N309—C325—C327	−178.7 (5)	Zn43—N306—C323—C322	−164.5 (6)
C326—C334—C335—C336	177.0 (8)	Zn43—N00I—C314—C315	−163.6 (7)
C326—C334—C333—C332	−177.0 (9)	Zn43—N00I—C418—C417	171.9 (17)
C308—N302—C306—N303	−7.2 (11)	Zn53—N306—C319—C320	160.4 (19)
C308—N302—C306—C303	175.5 (7)	Zn53—N306—C323—C322	−166.2 (13)
C308—N304—C307—N303	−2.5 (11)	Zn53—N00I—C314—C315	164.6 (13)
C308—N304—C307—C309	174.9 (7)	C418—N00I—C314—C315	−20.7 (19)
C308—C316—C315—C314	175.7 (8)	C417—C316—C308—N302	159.5 (16)
C308—C316—C317—C318	−175.4 (11)	C417—C316—C308—N304	−25.9 (17)
C308—C316—C417—C418	−173.4 (16)	C417—C316—C315—C314	17.3 (19)

Symmetry codes: (i) x+1/2, −y+3/2, z+1/2; (ii) x, −y+2, z+1/2; (iii) x−1/2, −y+3/2, z−1/2; (iv) x, −y+2, z−1/2.

catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc (4_10_24c)

Crystal data

C36H24I6N12Zn3	F(000) = 5856
Mr = 1582.18	Dx = 1.386 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.3369 (12) Å	Cell parameters from 12682 reflections
b = 15.0656 (4) Å	θ = 2.7–66.3°
c = 29.8140 (12) Å	µ = 20.49 mm^−1
β = 100.460 (3)°	T = 100 K
V = 15166.7 (9) Å^3	Block, colourless
Z = 8	0.2 × 0.14 × 0.09 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	13796 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	9615 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.043
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −36→41
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −18→18
Tmin = 0.058, Tmax = 0.312	l = −35→35
70635 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.065	H-atom parameters constrained
wR(F^2) = 0.228	w = 1/[σ^2(Fo^2) + (0.1328P)^2 + 19.9313P] where P = (Fo^2 + 2Fc^2)/3
S = 1.10	(Δ/σ)max < 0.001
13796 reflections	Δρmax = 0.71 e Å^−3
622 parameters	Δρmin = −0.81 e Å^−3
21 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. No guests or solvent were identified from the electron density map, SQUEEZE has been applied to address the residual electron density within the pore. SQUEEZE analysis indicated one void with a volume of 846 Ang**3 and an electron count of 222. This is equivalent to 4.63 cyclohexane molecules or 1.71 BBA-8,12-OMe molecules.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I405	0.88716 (15)	0.2621 (3)	0.93846 (14)	0.1298 (17)	0.446
I406	0.98073 (19)	0.3541 (5)	0.86212 (16)	0.152 (2)	0.446
I303	0.6213 (2)	0.2626 (4)	0.5707 (2)	0.175 (3)	0.4844
I402	0.37532 (8)	0.65786 (16)	0.80721 (9)	0.1180 (7)	0.4781
Zn43	0.9234 (3)	0.3803 (8)	0.9022 (4)	0.119 (4)	0.446
I401	0.26912 (9)	0.73296 (18)	0.70597 (11)	0.1338 (8)	0.4781
I304	0.66037 (18)	0.4522 (5)	0.46659 (18)	0.171 (2)	0.4844
Zn32	0.6356 (2)	0.4175 (5)	0.5396 (3)	0.116 (2)	0.4844
Zn41	0.32972 (14)	0.6384 (4)	0.73113 (18)	0.0977 (11)	0.4781
N303	0.4309 (2)	0.7777 (4)	0.5599 (2)	0.0952 (19)
N308	0.78080 (16)	0.5521 (3)	0.7243 (2)	0.0851 (17)
N305	0.4382 (2)	1.0244 (4)	0.4518 (2)	0.0894 (17)
N312	0.87991 (17)	0.4485 (3)	0.8595 (2)	0.0887 (18)
N309	0.76649 (18)	0.6887 (4)	0.6843 (2)	0.0898 (17)
N302	0.4653 (2)	0.6432 (4)	0.5828 (2)	0.094 (2)
N304	0.48346 (19)	0.7322 (4)	0.5245 (2)	0.0913 (18)
N310	0.81810 (18)	0.6800 (3)	0.7496 (2)	0.0931 (19)
N306	0.5842 (3)	0.4868 (6)	0.5427 (4)	0.121 (3)
C309	0.4514 (2)	0.8736 (4)	0.5040 (2)	0.0802 (19)
C317	0.5208 (2)	0.5981 (5)	0.5480 (3)	0.092 (2)
C313	0.4683 (2)	0.9662 (5)	0.4469 (3)	0.0800 (17)
H313	0.484697	0.979051	0.425274	0.096*
C326	0.7944 (2)	0.7256 (4)	0.7167 (3)	0.092 (2)
C327	0.8095 (2)	0.5943 (4)	0.7526 (3)	0.085 (2)
C307	0.4559 (3)	0.7872 (5)	0.5310 (3)	0.089 (2)
N311	0.8139 (3)	1.0030 (4)	0.7220 (4)	0.129 (3)
C314	0.4749 (2)	0.8895 (5)	0.4729 (3)	0.089 (2)
H314	0.495362	0.849234	0.469061	0.106*
N307	0.6738 (2)	0.4709 (4)	0.5952 (3)	0.131 (3)
C335	0.8339 (2)	0.5438 (4)	0.7905 (3)	0.083 (2)
C325	0.7620 (2)	0.6016 (4)	0.6898 (3)	0.087 (2)
C308	0.4877 (3)	0.6602 (5)	0.5514 (3)	0.094 (3)
C334	0.8265 (2)	0.4555 (4)	0.7971 (3)	0.098 (3)
H334	0.805405	0.425904	0.777881	0.118*
C322	0.7317 (2)	0.5567 (4)	0.6566 (3)	0.092 (2)
C333	0.8502 (2)	0.4112 (5)	0.8316 (3)	0.097 (2)
H333	0.844946	0.350104	0.835818	0.116*
C306	0.4376 (3)	0.7026 (5)	0.5854 (3)	0.093 (2)
C328	0.8011 (2)	0.8224 (5)	0.7172 (3)	0.092 (2)
N301	0.3605 (4)	0.6575 (6)	0.6761 (4)	0.149 (4)
C311	0.4175 (3)	1.0069 (6)	0.4834 (3)	0.105 (3)
H311	0.398380	1.049487	0.488500	0.126*
C303	0.4116 (3)	0.6881 (5)	0.6169 (3)	0.094 (2)
C318	0.5373 (3)	0.5928 (6)	0.5109 (4)	0.115 (3)
H318	0.527514	0.628715	0.485110	0.138*
C321	0.7081 (2)	0.6021 (6)	0.6209 (3)	0.107 (3)
H321	0.711543	0.664014	0.616990	0.129*
C310	0.4213 (3)	0.9303 (6)	0.5102 (3)	0.110 (3)
H310	0.404279	0.918126	0.531238	0.133*
C319	0.5685 (3)	0.5356 (6)	0.5097 (4)	0.114 (3)
H319	0.578885	0.532606	0.482351	0.137*
C323	0.7242 (3)	0.4677 (5)	0.6610 (4)	0.127 (4)
H323	0.738035	0.434676	0.686058	0.152*
C320	0.6800 (3)	0.5567 (5)	0.5919 (3)	0.125 (4)
H320	0.664045	0.588497	0.567802	0.150*
C304	0.4181 (4)	0.6246 (7)	0.6506 (4)	0.126 (3)
H304	0.441234	0.588993	0.653619	0.151*
C302	0.3779 (4)	0.7320 (7)	0.6161 (4)	0.132 (4)
H302	0.371982	0.778125	0.594207	0.159*
C329	0.7794 (3)	0.8794 (5)	0.6856 (4)	0.140 (4)
H329	0.759364	0.857552	0.661972	0.169*
C324	0.6966 (3)	0.4275 (6)	0.6284 (5)	0.165 (6)
H324	0.693602	0.364971	0.629892	0.197*
C330	0.7879 (4)	0.9709 (8)	0.6898 (6)	0.167 (6)
H330	0.773803	1.010444	0.667875	0.201*
C336	0.8619 (3)	0.5839 (5)	0.8198 (4)	0.146 (5)
H336	0.866618	0.645471	0.816584	0.176*
C337	0.8846 (3)	0.5362 (6)	0.8553 (4)	0.148 (5)
H337	0.903702	0.566508	0.877002	0.178*
C305	0.3932 (5)	0.6114 (7)	0.6790 (5)	0.151 (5)
H305	0.399225	0.567469	0.702095	0.181*
C316	0.5359 (4)	0.5468 (8)	0.5857 (5)	0.149 (4)
H316	0.525775	0.547426	0.613254	0.179*
C301	0.3512 (4)	0.7177 (7)	0.6434 (5)	0.133 (4)
H301	0.326902	0.749212	0.639338	0.159*
C332	0.8292 (4)	0.8618 (6)	0.7493 (4)	0.143 (5)
H332	0.845302	0.826109	0.771590	0.171*
C331	0.8346 (5)	0.9510 (6)	0.7497 (5)	0.180 (7)
H331	0.855029	0.975468	0.772105	0.216*
I403	0.6133 (2)	0.2578 (4)	0.5912 (3)	0.198 (4)	0.4678
Zn42	0.6298 (2)	0.3990 (5)	0.5519 (3)	0.146 (5)	0.4678
I404	0.65268 (19)	0.4133 (5)	0.4764 (2)	0.201 (3)	0.4678
I301	0.25179 (12)	0.71690 (19)	0.68020 (19)	0.228 (2)	0.4934
Zn31	0.3151 (2)	0.6427 (3)	0.7150 (2)	0.167 (3)	0.4934
I302	0.35266 (16)	0.6788 (2)	0.79531 (14)	0.235 (2)	0.4934
I305	0.88189 (13)	0.2648 (2)	0.94546 (9)	0.0873 (7)	0.5158
Zn33	0.92032 (19)	0.3745 (5)	0.90559 (18)	0.0617 (10)	0.5158
I306	0.97521 (11)	0.3457 (3)	0.86120 (8)	0.0818 (5)	0.5158
I503	0.5963 (4)	0.2682 (10)	0.6073 (4)	0.080*	0.0478
I504	0.6443 (5)	0.4164 (10)	0.4942 (5)	0.080*	0.0478
Zn52	0.6191 (12)	0.396 (3)	0.5660 (13)	0.080*	0.0478
I501	0.2406 (6)	0.6980 (15)	0.6445 (6)	0.080*	0.0285
I502	0.3190 (5)	0.7038 (14)	0.7761 (6)	0.080*	0.0285
Zn51	0.3033 (14)	0.647 (4)	0.6911 (14)	0.080*	0.0285
C315	0.5697 (4)	0.4907 (8)	0.5783 (6)	0.150 (5)
H315	0.581602	0.454221	0.603026	0.181*
I505	0.8607 (5)	0.2796 (10)	0.9557 (5)	0.080*	0.0381
I506	0.9690 (6)	0.3440 (14)	0.8857 (7)	0.080*	0.0381
Zn53	0.9082 (14)	0.378 (4)	0.9194 (18)	0.080*	0.0381

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I405	0.111 (2)	0.0504 (11)	0.202 (4)	0.0000 (11)	−0.041 (2)	0.0076 (18)
I406	0.149 (4)	0.120 (3)	0.160 (3)	0.050 (3)	−0.045 (2)	−0.008 (2)
I303	0.150 (3)	0.0634 (12)	0.250 (4)	0.0038 (16)	−0.126 (3)	−0.0180 (18)
I402	0.1695 (16)	0.0603 (7)	0.1131 (9)	−0.0146 (8)	−0.0038 (10)	−0.0091 (6)
Zn43	0.117 (6)	0.051 (3)	0.156 (7)	0.011 (3)	−0.061 (4)	−0.005 (3)
I401	0.1421 (16)	0.0548 (8)	0.201 (2)	0.0194 (8)	0.0226 (13)	0.0306 (9)
I304	0.114 (2)	0.231 (5)	0.1494 (19)	0.017 (2)	−0.0273 (14)	−0.098 (3)
Zn32	0.099 (3)	0.074 (3)	0.151 (3)	0.017 (2)	−0.046 (2)	−0.037 (3)
Zn41	0.1195 (19)	0.0388 (13)	0.124 (2)	−0.0057 (12)	−0.0060 (17)	0.0085 (13)
N303	0.096 (4)	0.071 (4)	0.103 (4)	−0.001 (3)	−0.024 (4)	0.009 (3)
N308	0.072 (3)	0.036 (2)	0.129 (4)	0.003 (2)	−0.031 (3)	−0.004 (3)
N305	0.101 (4)	0.064 (3)	0.090 (4)	0.009 (3)	−0.017 (3)	0.006 (3)
N312	0.081 (3)	0.044 (3)	0.122 (4)	0.001 (2)	−0.031 (3)	−0.010 (3)
N309	0.093 (4)	0.043 (3)	0.118 (4)	0.009 (3)	−0.023 (3)	0.002 (3)
N302	0.101 (4)	0.062 (3)	0.099 (4)	−0.008 (3)	−0.039 (4)	0.006 (3)
N304	0.089 (4)	0.061 (3)	0.105 (4)	0.002 (3)	−0.032 (3)	0.003 (3)
N310	0.088 (4)	0.039 (2)	0.132 (5)	0.001 (2)	−0.034 (3)	−0.003 (3)
N306	0.104 (6)	0.099 (6)	0.139 (6)	−0.004 (4)	−0.041 (5)	−0.007 (5)
C309	0.087 (4)	0.057 (4)	0.082 (4)	0.006 (3)	−0.025 (4)	0.000 (3)
C317	0.087 (5)	0.058 (4)	0.107 (5)	−0.002 (3)	−0.042 (4)	0.000 (4)
C313	0.066 (4)	0.067 (4)	0.097 (4)	0.007 (3)	−0.012 (3)	0.006 (3)
C326	0.077 (4)	0.049 (3)	0.131 (6)	0.004 (3)	−0.029 (4)	0.004 (3)
C327	0.080 (4)	0.042 (3)	0.115 (5)	0.002 (3)	−0.028 (4)	−0.002 (3)
C307	0.091 (5)	0.065 (4)	0.096 (5)	0.004 (4)	−0.022 (4)	0.006 (4)
N311	0.155 (8)	0.040 (3)	0.178 (8)	−0.015 (4)	−0.004 (6)	−0.011 (4)
C314	0.092 (5)	0.054 (4)	0.100 (5)	0.002 (3)	−0.034 (4)	−0.001 (3)
N307	0.099 (4)	0.056 (3)	0.199 (7)	0.025 (3)	−0.079 (5)	−0.035 (4)
C335	0.076 (4)	0.043 (3)	0.112 (5)	0.003 (3)	−0.028 (3)	−0.003 (3)
C325	0.075 (4)	0.047 (3)	0.124 (5)	0.007 (3)	−0.022 (4)	−0.005 (3)
C308	0.099 (5)	0.054 (4)	0.106 (5)	0.000 (4)	−0.045 (5)	0.011 (4)
C334	0.101 (5)	0.041 (3)	0.126 (6)	−0.002 (3)	−0.050 (4)	−0.007 (3)
C322	0.086 (4)	0.040 (3)	0.125 (5)	0.013 (3)	−0.043 (4)	−0.006 (3)
C333	0.106 (5)	0.051 (3)	0.112 (5)	0.000 (3)	−0.036 (4)	0.010 (3)
C306	0.098 (5)	0.062 (4)	0.102 (5)	−0.002 (4)	−0.025 (4)	0.008 (4)
C328	0.096 (5)	0.050 (3)	0.120 (6)	0.004 (3)	−0.008 (4)	0.001 (4)
N301	0.209 (11)	0.063 (5)	0.187 (9)	−0.035 (6)	0.067 (8)	−0.010 (5)
C311	0.106 (6)	0.084 (5)	0.122 (6)	0.035 (5)	0.014 (5)	0.016 (5)
C303	0.104 (6)	0.066 (4)	0.101 (5)	0.007 (4)	−0.011 (5)	−0.001 (4)
C318	0.114 (6)	0.068 (5)	0.135 (7)	0.020 (4)	−0.051 (6)	−0.012 (5)
C321	0.096 (5)	0.067 (4)	0.136 (6)	0.008 (4)	−0.041 (5)	−0.008 (4)
C310	0.112 (6)	0.100 (6)	0.116 (6)	0.033 (5)	0.009 (5)	0.013 (5)
C319	0.100 (5)	0.068 (4)	0.150 (7)	0.017 (4)	−0.044 (5)	−0.007 (5)
C323	0.112 (6)	0.047 (4)	0.180 (8)	0.008 (4)	−0.082 (6)	0.001 (4)
C320	0.131 (7)	0.060 (4)	0.147 (7)	0.035 (4)	−0.076 (6)	−0.023 (4)
C304	0.133 (8)	0.094 (7)	0.159 (9)	0.007 (6)	0.048 (8)	0.037 (6)
C302	0.175 (11)	0.080 (6)	0.144 (8)	0.014 (7)	0.034 (8)	0.031 (6)
C329	0.146 (8)	0.039 (4)	0.205 (11)	−0.001 (4)	−0.052 (8)	0.021 (5)
C324	0.145 (8)	0.052 (4)	0.238 (12)	0.008 (5)	−0.119 (9)	−0.007 (6)
C330	0.146 (10)	0.075 (7)	0.271 (17)	0.040 (7)	0.013 (11)	0.058 (9)
C336	0.142 (7)	0.044 (4)	0.202 (10)	−0.006 (4)	−0.107 (7)	0.019 (5)
C337	0.142 (8)	0.056 (4)	0.197 (10)	−0.001 (5)	−0.101 (8)	0.006 (5)
C305	0.224 (15)	0.073 (6)	0.149 (9)	0.044 (8)	0.020 (10)	0.017 (6)
C316	0.137 (8)	0.105 (7)	0.184 (10)	0.043 (7)	−0.029 (8)	0.048 (7)
C301	0.143 (9)	0.077 (6)	0.187 (11)	0.028 (6)	0.055 (9)	0.027 (7)
C332	0.203 (12)	0.053 (4)	0.141 (8)	−0.017 (6)	−0.051 (8)	0.012 (5)
C331	0.279 (18)	0.046 (5)	0.181 (11)	−0.042 (7)	−0.047 (11)	0.008 (6)
I403	0.150 (3)	0.0590 (12)	0.328 (9)	−0.0029 (14)	−0.104 (5)	−0.018 (3)
Zn42	0.098 (4)	0.060 (2)	0.231 (9)	0.017 (3)	−0.099 (5)	−0.026 (4)
I404	0.107 (3)	0.235 (6)	0.232 (5)	0.033 (3)	−0.048 (3)	−0.139 (4)
I301	0.252 (4)	0.0760 (17)	0.407 (6)	0.070 (2)	0.197 (5)	0.095 (3)
Zn31	0.283 (9)	0.0407 (15)	0.201 (7)	−0.001 (4)	0.109 (7)	0.003 (4)
I302	0.396 (6)	0.108 (2)	0.236 (4)	−0.122 (3)	0.147 (4)	−0.080 (2)
I305	0.1126 (15)	0.0590 (10)	0.0892 (8)	−0.0174 (9)	0.0154 (9)	−0.0048 (6)
Zn33	0.067 (2)	0.048 (2)	0.0621 (13)	−0.0018 (14)	−0.0083 (12)	−0.0022 (12)
I306	0.0825 (8)	0.0880 (11)	0.0708 (9)	0.0172 (7)	0.0026 (7)	0.0071 (7)
C315	0.115 (8)	0.093 (7)	0.210 (13)	0.035 (6)	−0.060 (9)	0.035 (9)

Geometric parameters (Å, º)

I405—Zn43	2.525 (10)	C334—H334	0.9500
I406—Zn43	2.513 (10)	C334—C333	1.365 (9)
I303—Zn32	2.592 (9)	C322—C321	1.395 (10)
I402—Zn41	2.528 (5)	C322—C323	1.375 (10)
Zn43—N305^i	2.059 (14)	C333—H333	0.9500
Zn43—N312	2.051 (10)	C306—C303	1.424 (12)
I401—Zn41	2.521 (5)	C328—C329	1.387 (11)
I304—Zn32	2.531 (9)	C328—C332	1.366 (12)
Zn32—N306	2.069 (12)	N301—C305	1.311 (17)
Zn32—N307	2.079 (9)	N301—C301	1.327 (15)
Zn41—N311^ii	2.115 (9)	N301—Zn31	2.117 (12)
Zn41—N301	2.127 (12)	N301—Zn51	2.10 (5)
N303—C307	1.328 (11)	C311—H311	0.9500
N303—C306	1.360 (10)	C311—C310	1.395 (12)
N308—C327	1.334 (8)	C311—Zn53^iii	2.55 (6)
N308—C325	1.337 (9)	C303—C304	1.377 (13)
N305—C313	1.383 (10)	C303—C302	1.332 (15)
N305—C311	1.304 (11)	C318—H318	0.9500
N305—Zn33^iii	2.071 (9)	C318—C319	1.380 (13)
N305—Zn53^iii	1.95 (6)	C321—H321	0.9500
N312—C333	1.320 (9)	C321—C320	1.357 (11)
N312—C337	1.340 (10)	C310—H310	0.9500
N312—Zn33	2.088 (8)	C319—H319	0.9500
N312—Zn53	2.15 (5)	C323—H323	0.9500
N309—C326	1.351 (9)	C323—C324	1.369 (11)
N309—C325	1.336 (9)	C320—H320	0.9500
N302—C308	1.339 (12)	C304—H304	0.9500
N302—C306	1.319 (11)	C304—C305	1.322 (17)
N304—C307	1.299 (11)	C302—H302	0.9500
N304—C308	1.342 (9)	C302—C301	1.345 (15)
N310—C326	1.343 (9)	C329—H329	0.9500
N310—C327	1.332 (8)	C329—C330	1.410 (15)
N306—C319	1.266 (12)	C324—H324	0.9500
N306—Zn42	2.030 (12)	C330—H330	0.9500
N306—Zn52	1.86 (5)	C336—H336	0.9500
N306—C315	1.253 (17)	C336—C337	1.395 (11)
C309—C307	1.523 (10)	C337—H337	0.9500
C309—C314	1.356 (11)	C305—H305	0.9500
C309—C310	1.381 (11)	C316—H316	0.9500
C317—C308	1.491 (12)	C316—C315	1.484 (19)
C317—C318	1.333 (14)	C301—H301	0.9500
C317—C316	1.385 (12)	C332—H332	0.9500
C313—H313	0.9500	C332—C331	1.356 (12)
C313—C314	1.388 (10)	C331—H331	0.9500
C326—C328	1.476 (9)	I403—Zn42	2.541 (9)
C327—C335	1.489 (9)	Zn42—I404	2.524 (10)
N311—C330	1.281 (17)	I301—Zn31	2.496 (8)
N311—C331	1.261 (15)	Zn31—I302	2.565 (8)
N311—Zn31^iv	2.116 (9)	I305—Zn33	2.541 (6)
N311—Zn51^iv	2.35 (6)	Zn33—I306	2.529 (6)
C314—H314	0.9500	I503—Zn52	2.49 (5)
N307—C320	1.316 (11)	I504—Zn52	2.47 (4)
N307—C324	1.318 (11)	I501—Zn51	2.46 (5)
N307—Zn42	2.103 (9)	I502—Zn51	2.64 (5)
N307—Zn52	2.23 (5)	C315—H315	0.9500
C335—C334	1.373 (9)	I505—Zn53	2.58 (5)
C335—C336	1.322 (10)	I506—Zn53	2.53 (5)
C325—C322	1.466 (9)
I406—Zn43—I405	125.6 (5)	C305—N301—Zn51	140.3 (18)
N305^i—Zn43—I405	105.1 (5)	C301—N301—Zn41	125.0 (10)
N305^i—Zn43—I406	109.8 (5)	C301—N301—Zn31	111.9 (10)
N312—Zn43—I405	105.0 (4)	C301—N301—Zn51	95.8 (17)
N312—Zn43—I406	109.2 (5)	N305—C311—H311	117.5
N312—Zn43—N305^i	98.8 (5)	N305—C311—C310	125.0 (8)
I304—Zn32—I303	127.5 (4)	N305—C311—Zn53^iii	48.3 (12)
N306—Zn32—I303	102.6 (5)	C310—C311—H311	117.5
N306—Zn32—I304	110.9 (5)	C310—C311—Zn53^iii	167.0 (14)
N306—Zn32—N307	101.0 (4)	Zn53^iii—C311—H311	70.5
N307—Zn32—I303	101.3 (4)	C304—C303—C306	123.5 (9)
N307—Zn32—I304	110.1 (5)	C302—C303—C306	124.1 (8)
I401—Zn41—I402	123.0 (3)	C302—C303—C304	112.4 (10)
N311^ii—Zn41—I402	109.2 (4)	C317—C318—H318	119.8
N311^ii—Zn41—I401	109.2 (4)	C317—C318—C319	120.4 (10)
N311^ii—Zn41—N301	100.5 (4)	C319—C318—H318	119.8
N301—Zn41—I402	111.3 (4)	C322—C321—H321	120.5
N301—Zn41—I401	101.1 (4)	C320—C321—C322	119.1 (8)
C307—N303—C306	112.9 (8)	C320—C321—H321	120.5
C327—N308—C325	114.7 (5)	C309—C310—C311	115.5 (9)
Zn43^iii—N305—Zn33^iii	5.0 (4)	C309—C310—H310	122.3
C313—N305—Zn43^iii	117.2 (6)	C311—C310—H310	122.3
C313—N305—Zn33^iii	122.1 (6)	N306—C319—C318	124.5 (12)
C313—N305—Zn53^iii	139.7 (16)	N306—C319—H319	117.8
C311—N305—Zn43^iii	124.3 (6)	C318—C319—H319	117.8
C311—N305—C313	117.7 (6)	C322—C323—H323	120.6
C311—N305—Zn33^iii	119.6 (6)	C324—C323—C322	118.7 (8)
C311—N305—Zn53^iii	101.7 (15)	C324—C323—H323	120.6
C333—N312—Zn43	124.7 (6)	N307—C320—C321	123.5 (7)
C333—N312—C337	117.0 (6)	N307—C320—H320	118.2
C333—N312—Zn33	122.2 (5)	C321—C320—H320	118.2
C333—N312—Zn53	119.6 (16)	C303—C304—H304	118.8
C337—N312—Zn43	117.7 (6)	C305—C304—C303	122.4 (11)
C337—N312—Zn33	120.7 (5)	C305—C304—H304	118.8
C337—N312—Zn53	121.3 (17)	C303—C302—H302	116.8
C325—N309—C326	113.5 (6)	C303—C302—C301	126.5 (10)
C306—N302—C308	115.0 (7)	C301—C302—H302	116.8
C307—N304—C308	115.4 (8)	C328—C329—H329	121.1
C327—N310—C326	115.6 (6)	C328—C329—C330	117.9 (10)
C319—N306—Zn32	120.4 (10)	C330—C329—H329	121.1
C319—N306—Zn42	133.9 (10)	N307—C324—C323	123.6 (8)
C319—N306—Zn52	150.2 (15)	N307—C324—H324	118.2
C315—N306—Zn32	122.2 (8)	C323—C324—H324	118.2
C315—N306—C319	116.9 (11)	N311—C330—C329	122.7 (11)
C315—N306—Zn42	109.2 (8)	N311—C330—H330	118.6
C315—N306—Zn52	92.6 (13)	C329—C330—H330	118.6
C314—C309—C307	119.8 (7)	C335—C336—H336	119.8
C314—C309—C310	122.3 (7)	C335—C336—C337	120.4 (7)
C310—C309—C307	117.7 (9)	C337—C336—H336	119.8
C318—C317—C308	122.6 (7)	N312—C337—C336	121.2 (7)
C318—C317—C316	119.1 (10)	N312—C337—H337	119.4
C316—C317—C308	118.2 (10)	C336—C337—H337	119.4
N305—C313—H313	119.4	N301—C305—C304	121.5 (11)
N305—C313—C314	121.2 (8)	N301—C305—H305	119.2
C314—C313—H313	119.4	C304—C305—H305	119.2
N309—C326—C328	120.1 (6)	C317—C316—H316	123.7
N310—C326—N309	124.6 (6)	C317—C316—C315	112.7 (13)
N310—C326—C328	115.3 (6)	C315—C316—H316	123.7
N308—C327—C335	119.0 (5)	N301—C301—C302	117.1 (11)
N310—C327—N308	124.6 (6)	N301—C301—H301	121.5
N310—C327—C335	116.4 (5)	C302—C301—H301	121.5
N303—C307—C309	114.8 (7)	C328—C332—H332	119.5
N304—C307—N303	127.0 (7)	C331—C332—C328	121.0 (10)
N304—C307—C309	118.2 (9)	C331—C332—H332	119.5
Zn41^iv—N311—Zn31^iv	17.2 (2)	N311—C331—C332	123.4 (12)
Zn41^iv—N311—Zn51^iv	35.1 (12)	N311—C331—H331	118.3
C330—N311—Zn41^iv	126.0 (8)	C332—C331—H331	118.3
C330—N311—Zn31^iv	108.9 (8)	N306—Zn42—N307	101.5 (4)
C330—N311—Zn51^iv	90.9 (13)	N306—Zn42—I403	112.2 (5)
C331—N311—Zn41^iv	114.5 (8)	N306—Zn42—I404	100.4 (5)
C331—N311—C330	119.3 (8)	N307—Zn42—I403	110.1 (4)
C331—N311—Zn31^iv	131.8 (8)	N307—Zn42—I404	101.3 (5)
C331—N311—Zn51^iv	149.1 (14)	I404—Zn42—I403	127.9 (4)
C309—C314—C313	118.1 (7)	N311^ii—Zn31—N301	100.8 (5)
C309—C314—H314	120.9	N311^ii—Zn31—I301	117.2 (4)
C313—C314—H314	120.9	N311^ii—Zn31—I302	97.6 (4)
C320—N307—Zn32	114.0 (6)	N301—Zn31—I301	113.4 (5)
C320—N307—C324	117.5 (7)	N301—Zn31—I302	101.2 (4)
C320—N307—Zn42	124.6 (6)	I301—Zn31—I302	123.0 (3)
C320—N307—Zn52	127.1 (13)	N305^i—Zn33—N312	97.3 (4)
C324—N307—Zn32	127.5 (6)	N305^i—Zn33—I305	106.5 (3)
C324—N307—Zn42	117.9 (6)	N305^i—Zn33—I306	108.4 (4)
C324—N307—Zn52	112.7 (13)	N312—Zn33—I305	108.4 (3)
C334—C335—C327	120.7 (6)	N312—Zn33—I306	102.5 (3)
C336—C335—C327	120.6 (6)	I306—Zn33—I305	129.2 (3)
C336—C335—C334	118.6 (7)	N306—Zn52—N307	103 (2)
N308—C325—C322	116.5 (6)	N306—Zn52—I503	120.8 (19)
N309—C325—N308	126.3 (6)	N306—Zn52—I504	83.7 (15)
N309—C325—C322	117.0 (6)	N307—Zn52—I503	121.1 (18)
N302—C308—N304	124.0 (8)	N307—Zn52—I504	82.7 (13)
N302—C308—C317	118.0 (7)	I504—Zn52—I503	136 (2)
N304—C308—C317	117.9 (9)	N311^ii—Zn51—I501	125 (2)
C335—C334—H334	120.6	N311^ii—Zn51—I502	86.1 (15)
C333—C334—C335	118.8 (6)	N301—Zn51—N311^ii	94 (2)
C333—C334—H334	120.6	N301—Zn51—I501	128 (2)
C321—C322—C325	122.2 (6)	N301—Zn51—I502	98.2 (18)
C323—C322—C325	120.5 (6)	I501—Zn51—I502	116 (2)
C323—C322—C321	117.3 (6)	N306—C315—C316	126.4 (11)
N312—C333—C334	123.6 (7)	N306—C315—H315	116.8
N312—C333—H333	118.2	C316—C315—H315	116.8
C334—C333—H333	118.2	N305^i—Zn53—N312	99 (2)
N303—C306—C303	115.7 (8)	N305^i—Zn53—C311^i	30.0 (9)
N302—C306—N303	125.6 (9)	N305^i—Zn53—I505	123 (2)
N302—C306—C303	118.6 (7)	N305^i—Zn53—I506	87.2 (18)
C329—C328—C326	122.8 (7)	N312—Zn53—C311^i	105 (2)
C332—C328—C326	121.6 (7)	N312—Zn53—I505	114 (2)
C332—C328—C329	115.5 (7)	N312—Zn53—I506	93.0 (19)
C305—N301—Zn41	114.6 (10)	C311^i—Zn53—I505	94.5 (17)
C305—N301—C301	119.9 (11)	I506—Zn53—I505	133 (2)
C305—N301—Zn31	128.0 (10)
Zn43^iii—N305—C313—C314	−166.7 (6)	C322—C321—C320—N307	−0.4 (18)
Zn43^iii—N305—C311—C310	163.8 (8)	C322—C323—C324—N307	−7 (2)
Zn43—N312—C333—C334	−165.8 (8)	C333—N312—C337—C336	−7.1 (18)
Zn43—N312—C337—C336	164.8 (11)	C306—N303—C307—N304	2.7 (11)
Zn32—N306—C319—C318	−171.3 (7)	C306—N303—C307—C309	−176.0 (6)
Zn32—N306—C315—C316	172.3 (10)	C306—N302—C308—N304	0.9 (10)
Zn32—N307—C320—C321	−170.3 (9)	C306—N302—C308—C317	177.3 (6)
Zn32—N307—C324—C323	172.2 (11)	C306—C303—C304—C305	−178.8 (11)
Zn41^iv—N311—C330—C329	179.1 (11)	C306—C303—C302—C301	176.0 (11)
Zn41^iv—N311—C331—C332	−179.6 (14)	C328—C329—C330—N311	−2 (2)
Zn41—N301—C305—C304	−171.2 (11)	C328—C332—C331—N311	2 (3)
Zn41—N301—C301—C302	167.9 (9)	C311—N305—C313—C314	3.3 (10)
N303—C306—C303—C304	−168.4 (9)	C303—C304—C305—N301	1 (2)
N303—C306—C303—C302	14.0 (12)	C303—C302—C301—N301	4 (2)
N308—C327—C335—C334	−1.4 (13)	C318—C317—C308—N302	160.1 (7)
N308—C327—C335—C336	−178.4 (10)	C318—C317—C308—N304	−23.3 (10)
N308—C325—C322—C321	175.5 (9)	C318—C317—C316—C315	−0.4 (15)
N308—C325—C322—C323	−1.7 (13)	C321—C322—C323—C324	4.9 (17)
N305—C313—C314—C309	−1.0 (10)	C310—C309—C307—N303	−3.1 (10)
N305—C311—C310—C309	4.8 (15)	C310—C309—C307—N304	178.1 (7)
N309—C326—C328—C329	0.8 (15)	C310—C309—C314—C313	0.5 (10)
N309—C326—C328—C332	−179.7 (10)	C319—N306—Zn52—N307	94 (3)
N309—C325—C322—C321	−0.4 (13)	C319—N306—Zn52—I503	−128 (2)
N309—C325—C322—C323	−177.5 (9)	C319—N306—Zn52—I504	13 (4)
N302—C306—C303—C304	12.3 (13)	C319—N306—C315—C316	0 (2)
N302—C306—C303—C302	−165.3 (9)	C323—C322—C321—C320	−1.7 (15)
N310—C326—C328—C329	179.9 (10)	C320—N307—C324—C323	4 (2)
N310—C326—C328—C332	−0.6 (15)	C304—C303—C302—C301	−1.8 (17)
N310—C327—C335—C334	178.4 (8)	C302—C303—C304—C305	−1.0 (17)
N310—C327—C335—C336	1.3 (14)	C329—C328—C332—C331	1 (2)
C317—C318—C319—N306	−1.8 (14)	C324—N307—C320—C321	−0.7 (19)
C317—C316—C315—N306	−0.5 (19)	C330—N311—C331—C332	−4 (3)
C313—N305—C311—C310	−5.3 (13)	C336—C335—C334—C333	−4.4 (15)
C313—N305—C311—Zn53^iii	−171.1 (17)	C337—N312—C333—C334	5.5 (15)
C326—N309—C325—N308	3.4 (12)	C305—N301—C301—C302	−4.0 (19)
C326—N309—C325—C322	178.8 (8)	C316—C317—C308—N302	−22.7 (11)
C326—N310—C327—N308	3.2 (13)	C316—C317—C308—N304	153.9 (8)
C326—N310—C327—C335	−176.5 (8)	C316—C317—C318—C319	1.4 (13)
C326—C328—C329—C330	179.0 (11)	C301—N301—C305—C304	2 (2)
C326—C328—C332—C331	−178.9 (13)	C332—C328—C329—C330	−0.6 (18)
C327—N308—C325—N309	−7.6 (12)	C331—N311—C330—C329	4 (2)
C327—N308—C325—C322	177.0 (7)	Zn42—N306—C319—C318	−178.9 (8)
C327—N310—C326—N309	−8.0 (13)	Zn42—N306—C315—C316	−179.9 (11)
C327—N310—C326—C328	172.9 (8)	Zn42—N307—C320—C321	178.3 (9)
C327—C335—C334—C333	178.5 (8)	Zn42—N307—C324—C323	−174.8 (12)
C327—C335—C336—C337	179.8 (11)	Zn31^iv—N311—C330—C329	−178.6 (12)
C307—N303—C306—N302	−0.5 (10)	Zn31^iv—N311—C331—C332	179.4 (12)
C307—N303—C306—C303	−179.7 (6)	Zn31—N301—C305—C304	176.1 (10)
C307—N304—C308—N302	1.0 (10)	Zn31—N301—C301—C302	−179.4 (10)
C307—N304—C308—C317	−175.5 (6)	Zn33^iii—N305—C313—C314	−167.8 (5)
C307—C309—C314—C313	176.0 (6)	Zn33^iii—N305—C311—C310	166.0 (8)
C307—C309—C310—C311	−177.7 (8)	Zn33—N312—C333—C334	−170.8 (8)
C314—C309—C307—N303	−178.7 (6)	Zn33—N312—C337—C336	169.2 (11)
C314—C309—C307—N304	2.4 (10)	Zn52—N306—C319—C318	172 (3)
C314—C309—C310—C311	−2.1 (12)	Zn52—N306—C315—C316	−175.4 (19)
C335—C334—C333—N312	0.2 (15)	Zn52—N307—C320—C321	159.0 (14)
C335—C336—C337—N312	3 (2)	Zn52—N307—C324—C323	−158.3 (16)
C325—N308—C327—N310	3.9 (12)	Zn51^iv—N311—C330—C329	177.2 (18)
C325—N308—C327—C335	−176.3 (7)	Zn51^iv—N311—C331—C332	−170 (3)
C325—N309—C326—N310	4.9 (13)	Zn51—N301—C305—C304	153 (2)
C325—N309—C326—C328	−176.0 (8)	Zn51—N301—C301—C302	−166.0 (18)
C325—C322—C321—C320	−178.9 (9)	C315—N306—C319—C318	0.9 (16)
C325—C322—C323—C324	−177.8 (11)	C315—N306—Zn52—N307	−94.1 (14)
C308—N302—C306—N303	−1.2 (10)	C315—N306—Zn52—I503	44 (2)
C308—N302—C306—C303	178.0 (6)	C315—N306—Zn52—I504	−175.2 (12)
C308—N304—C307—N303	−3.0 (11)	Zn53^iii—N305—C313—C314	−163 (2)
C308—N304—C307—C309	175.7 (6)	Zn53^iii—N305—C311—C310	165.7 (17)
C308—C317—C318—C319	178.6 (7)	Zn53—N312—C333—C334	169.3 (17)
C308—C317—C316—C315	−177.7 (9)	Zn53—N312—C337—C336	−170.6 (18)
C334—C335—C336—C337	2.7 (18)	Zn53^iii—C311—C310—C309	59 (6)

Symmetry codes: (i) x+1/2, −y+3/2, z+1/2; (ii) x−1/2, y−1/2, z; (iii) x−1/2, −y+3/2, z−1/2; (iv) x+1/2, y+1/2, z.

catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc (4_10_96a)

Crystal data

C36H24I6N12Zn3	F(000) = 5856
Mr = 1582.18	Dx = 1.362 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.4940 (13) Å	Cell parameters from 11766 reflections
b = 15.0307 (3) Å	θ = 3.4–64.9°
c = 30.3347 (13) Å	µ = 20.13 mm^−1
β = 101.054 (4)°	T = 100 K
V = 15435.8 (10) Å^3	Block, colourless
Z = 8	0.12 × 0.12 × 0.07 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	14036 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	8636 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.050
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −40→41
Absorption correction: gaussian CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Numerical absorption correction based on gaussian integration over a multifaceted crystal model Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −16→17
Tmin = 0.183, Tmax = 0.439	l = −35→36
69226 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.084	H-atom parameters constrained
wR(F^2) = 0.295	w = 1/[σ^2(Fo^2) + (0.1612P)^2 + 42.9882P] where P = (Fo^2 + 2Fc^2)/3
S = 1.09	(Δ/σ)max < 0.001
14036 reflections	Δρmax = 1.03 e Å^−3
617 parameters	Δρmin = −0.67 e Å^−3
32 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. No guests or solvent were identified from the electron density map, SQUEEZE has been applied to address the residual electron density within the pore. SQUEEZE analysis indicated one void with a volume of 906 Ang**3 and an electron count of 238. This is equivalent to 4.96 cyclohexane molecules or 1.83 BBA-8,12-OMe molecules.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I306	0.97664 (9)	0.3511 (2)	0.86572 (6)	0.0921 (8)	0.4964
I305	0.8796 (2)	0.2691 (3)	0.9388 (2)	0.219 (3)	0.4964
I403	0.6105 (3)	0.2577 (4)	0.5944 (5)	0.242 (4)	0.41 (2)
I404	0.6499 (3)	0.4100 (10)	0.4794 (3)	0.179 (3)	0.41 (2)
I401	0.26932 (11)	0.73404 (18)	0.70817 (12)	0.1222 (9)	0.438 (3)
Zn33	0.9197 (2)	0.3821 (5)	0.9059 (3)	0.164 (4)	0.4964
I402	0.37548 (10)	0.65759 (15)	0.80636 (8)	0.1159 (9)	0.438 (3)
Zn42	0.62812 (16)	0.4026 (5)	0.5544 (3)	0.126 (3)	0.41 (2)
Zn41	0.33059 (18)	0.6391 (4)	0.73054 (18)	0.0957 (15)	0.438 (3)
N302	0.4625 (3)	0.6443 (5)	0.5846 (3)	0.093 (2)
N308	0.7803 (2)	0.5532 (4)	0.7254 (3)	0.101 (3)
N310	0.8188 (2)	0.6808 (4)	0.7488 (3)	0.097 (3)
N305	0.4369 (3)	1.0207 (6)	0.4517 (3)	0.100 (3)
N303	0.4280 (3)	0.7770 (5)	0.5604 (3)	0.091 (2)
N304	0.4809 (2)	0.7285 (5)	0.5255 (3)	0.092 (2)
N306	0.5813 (3)	0.4890 (6)	0.5494 (5)	0.121 (4)
N312	0.8808 (2)	0.4508 (5)	0.8588 (3)	0.095 (2)
N309	0.7663 (3)	0.6889 (5)	0.6867 (3)	0.103 (3)
C308	0.4845 (3)	0.6607 (6)	0.5536 (4)	0.091 (3)
C309	0.4492 (3)	0.8712 (6)	0.5048 (4)	0.090 (3)
C316	0.5166 (3)	0.5990 (6)	0.5518 (4)	0.088 (3)
C313	0.4732 (3)	0.8895 (6)	0.4754 (4)	0.083 (3)
H313	0.494174	0.850147	0.472747	0.100*
N311	0.8130 (4)	1.0037 (6)	0.7215 (5)	0.131 (4)
C326	0.8102 (3)	0.5938 (6)	0.7530 (4)	0.095 (3)
C321	0.7309 (3)	0.5588 (6)	0.6588 (4)	0.099 (3)
N307	0.6709 (3)	0.4699 (5)	0.6007 (4)	0.128 (4)
C307	0.4525 (3)	0.7881 (6)	0.5321 (4)	0.088 (3)
C306	0.4345 (3)	0.7040 (6)	0.5861 (4)	0.098 (3)
C312	0.4671 (3)	0.9653 (8)	0.4493 (4)	0.097 (3)
H312	0.484458	0.978552	0.429353	0.116*
C332	0.8497 (4)	0.4127 (6)	0.8313 (4)	0.109 (4)
H332	0.843353	0.353242	0.837745	0.131*
C303	0.4087 (4)	0.6904 (7)	0.6182 (4)	0.099 (3)
C324	0.7598 (3)	0.6026 (7)	0.6922 (4)	0.105 (4)
C327	0.8008 (3)	0.8220 (6)	0.7168 (4)	0.105 (4)
C320	0.7071 (4)	0.6016 (7)	0.6238 (4)	0.122 (5)
H320	0.710521	0.663413	0.619263	0.146*
N301	0.3553 (6)	0.6580 (7)	0.6761 (6)	0.165 (6)
C333	0.8274 (3)	0.4518 (6)	0.7960 (4)	0.114 (4)
H333	0.807587	0.419886	0.776120	0.137*
C334	0.8345 (3)	0.5437 (6)	0.7894 (3)	0.092 (3)
C318	0.5664 (3)	0.5346 (8)	0.5150 (5)	0.108 (3)
H318	0.576696	0.529007	0.488288	0.129*
C317	0.5349 (3)	0.5930 (7)	0.5161 (5)	0.112 (4)
H317	0.525975	0.629903	0.490723	0.135*
C325	0.7961 (3)	0.7249 (6)	0.7167 (4)	0.102 (3)
C319	0.6781 (4)	0.5548 (7)	0.5949 (5)	0.122 (5)
H319	0.662889	0.585193	0.570051	0.146*
C310	0.4176 (4)	0.9235 (9)	0.5071 (4)	0.119 (4)
H310	0.398649	0.906352	0.524435	0.143*
C304	0.4181 (5)	0.6234 (13)	0.6518 (7)	0.169 (7)
H304	0.441122	0.587338	0.655124	0.202*
C311	0.4137 (5)	1.0085 (9)	0.4816 (6)	0.133 (5)
H311	0.395270	1.052629	0.486407	0.160*
C322	0.7224 (4)	0.4675 (7)	0.6636 (5)	0.131 (5)
H322	0.737813	0.433774	0.687145	0.157*
C305	0.3892 (6)	0.6158 (12)	0.6801 (7)	0.157 (7)
H305	0.395336	0.575482	0.704558	0.188*
C336	0.8855 (4)	0.5360 (7)	0.8541 (5)	0.136 (6)
H336	0.904992	0.566188	0.875227	0.164*
C328	0.7768 (5)	0.8791 (7)	0.6884 (6)	0.157 (7)
H328	0.754718	0.857063	0.667661	0.189*
C323	0.6922 (4)	0.4274 (8)	0.6344 (5)	0.142 (6)
H323	0.686473	0.366597	0.638927	0.171*
C329	0.7855 (6)	0.9718 (9)	0.6905 (6)	0.160 (7)
H329	0.770979	1.010732	0.668792	0.192*
C331	0.8320 (5)	0.8617 (8)	0.7465 (5)	0.138 (5)
H331	0.850949	0.825792	0.765358	0.166*
C335	0.8634 (4)	0.5841 (8)	0.8193 (5)	0.145 (6)
H335	0.868372	0.645813	0.816424	0.174*
C330	0.8353 (6)	0.9524 (8)	0.7483 (7)	0.159 (6)
H330	0.855193	0.978085	0.770722	0.191*
C315	0.5343 (5)	0.5485 (12)	0.5894 (6)	0.161 (7)
H315	0.525053	0.553818	0.616824	0.193*
C301	0.3502 (7)	0.7199 (11)	0.6448 (6)	0.154 (6)
H301	0.329135	0.760694	0.644576	0.184*
C302	0.3721 (5)	0.7301 (10)	0.6135 (7)	0.144 (5)
H302	0.362493	0.765124	0.587629	0.173*
I301	0.24971 (13)	0.7173 (2)	0.6795 (2)	0.218 (3)	0.539 (3)
Zn31	0.3142 (2)	0.6444 (3)	0.7135 (3)	0.178 (3)	0.539 (3)
I302	0.3511 (2)	0.6855 (3)	0.7915 (2)	0.260 (3)	0.539 (3)
I406	0.9789 (2)	0.3499 (5)	0.8705 (3)	0.246 (4)	0.3987
Zn43	0.92017 (17)	0.3763 (6)	0.9061 (2)	0.0640 (14)	0.3987
I405	0.88627 (9)	0.2608 (2)	0.94313 (14)	0.0811 (10)	0.3987
I501	0.2368 (8)	0.690 (2)	0.6415 (9)	0.080*	0.0229 (14)
I502	0.3198 (9)	0.705 (2)	0.7796 (8)	0.080*	0.0229 (14)
Zn51	0.2898 (15)	0.636 (3)	0.7046 (12)	0.080*	0.0229 (14)
I505	0.8772 (6)	0.2684 (14)	0.9469 (6)	0.080*	0.1048
I506	0.9742 (4)	0.3487 (11)	0.8555 (5)	0.080*	0.1048
Zn53	0.9218 (10)	0.374 (3)	0.9027 (13)	0.080*	0.1048
I303	0.61627 (18)	0.2618 (2)	0.5812 (3)	0.219 (3)	0.59 (2)
Zn32	0.6319 (2)	0.4097 (4)	0.5485 (3)	0.205 (5)	0.59 (2)
I304	0.6557 (3)	0.4405 (9)	0.4772 (3)	0.243 (4)	0.59 (2)
C314	0.5648 (6)	0.4916 (12)	0.5865 (8)	0.175 (8)
H314	0.574606	0.453315	0.611008	0.210*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I306	0.0943 (11)	0.0933 (17)	0.0751 (14)	0.0313 (11)	−0.0178 (10)	−0.0032 (12)
I305	0.266 (5)	0.0619 (17)	0.263 (5)	−0.052 (2)	−0.117 (3)	0.0235 (19)
I403	0.207 (5)	0.049 (2)	0.422 (11)	−0.018 (2)	−0.057 (8)	0.005 (3)
I404	0.098 (3)	0.225 (7)	0.197 (4)	0.017 (3)	−0.017 (3)	−0.129 (4)
I401	0.137 (2)	0.0475 (10)	0.183 (2)	0.0209 (12)	0.0349 (16)	0.0246 (11)
Zn33	0.182 (7)	0.048 (3)	0.215 (7)	0.014 (3)	−0.079 (5)	0.008 (3)
I402	0.178 (2)	0.0531 (10)	0.1102 (13)	−0.0169 (11)	0.0106 (13)	−0.0083 (8)
Zn42	0.060 (3)	0.066 (4)	0.236 (8)	0.020 (2)	−0.015 (5)	−0.042 (4)
Zn41	0.124 (4)	0.0401 (19)	0.118 (3)	−0.009 (2)	0.012 (2)	0.0051 (16)
N302	0.087 (5)	0.062 (5)	0.115 (6)	0.006 (4)	−0.024 (5)	0.001 (4)
N308	0.098 (5)	0.030 (3)	0.151 (7)	0.010 (3)	−0.039 (5)	−0.009 (4)
N310	0.084 (5)	0.036 (3)	0.152 (7)	0.015 (3)	−0.025 (5)	−0.018 (4)
N305	0.096 (6)	0.087 (6)	0.104 (6)	0.006 (5)	−0.013 (5)	0.021 (5)
N303	0.081 (5)	0.070 (5)	0.109 (6)	0.007 (4)	−0.015 (4)	0.013 (4)
N304	0.089 (5)	0.061 (4)	0.108 (6)	0.014 (4)	−0.029 (4)	0.008 (4)
N306	0.098 (7)	0.077 (6)	0.162 (10)	0.009 (5)	−0.036 (7)	−0.005 (7)
N312	0.097 (5)	0.054 (4)	0.114 (6)	0.010 (4)	−0.029 (4)	−0.012 (4)
N309	0.101 (6)	0.058 (5)	0.132 (7)	0.023 (4)	−0.020 (5)	0.000 (5)
C308	0.096 (7)	0.051 (5)	0.110 (7)	0.007 (5)	−0.025 (6)	0.003 (5)
C309	0.108 (7)	0.041 (4)	0.104 (7)	0.010 (4)	−0.023 (6)	0.011 (4)
C316	0.087 (6)	0.046 (4)	0.118 (8)	0.003 (4)	−0.016 (6)	−0.006 (5)
C313	0.080 (5)	0.053 (5)	0.102 (6)	0.004 (4)	−0.018 (5)	0.008 (5)
N311	0.155 (10)	0.043 (5)	0.200 (12)	−0.016 (6)	0.048 (9)	−0.006 (6)
C326	0.082 (6)	0.043 (4)	0.146 (9)	0.002 (4)	−0.013 (6)	−0.003 (5)
C321	0.079 (6)	0.050 (5)	0.148 (9)	0.012 (4)	−0.029 (6)	−0.001 (5)
N307	0.100 (6)	0.053 (4)	0.192 (9)	0.022 (4)	−0.075 (6)	−0.030 (5)
C307	0.083 (6)	0.061 (5)	0.105 (7)	−0.005 (5)	−0.017 (5)	0.007 (5)
C306	0.107 (7)	0.051 (5)	0.116 (8)	−0.009 (5)	−0.028 (6)	0.003 (5)
C312	0.078 (6)	0.090 (7)	0.109 (7)	0.016 (5)	−0.016 (5)	0.009 (6)
C332	0.125 (8)	0.039 (4)	0.139 (9)	−0.012 (5)	−0.035 (7)	−0.006 (5)
C303	0.105 (8)	0.056 (5)	0.125 (8)	−0.007 (5)	−0.004 (6)	0.012 (5)
C324	0.105 (7)	0.057 (5)	0.129 (8)	0.026 (5)	−0.039 (6)	−0.015 (5)
C327	0.110 (8)	0.036 (4)	0.156 (10)	0.001 (4)	−0.008 (7)	−0.001 (5)
C320	0.130 (9)	0.048 (5)	0.151 (10)	−0.002 (5)	−0.066 (8)	0.001 (6)
N301	0.256 (19)	0.045 (5)	0.217 (14)	−0.007 (8)	0.101 (14)	−0.014 (7)
C333	0.114 (8)	0.040 (4)	0.157 (9)	−0.008 (5)	−0.056 (7)	0.002 (5)
C334	0.097 (6)	0.045 (4)	0.111 (7)	0.014 (4)	−0.038 (5)	−0.014 (4)
C318	0.093 (7)	0.080 (7)	0.140 (9)	0.008 (6)	−0.004 (6)	−0.002 (7)
C317	0.092 (7)	0.072 (7)	0.150 (11)	0.024 (6)	−0.032 (7)	0.020 (7)
C325	0.101 (7)	0.040 (4)	0.149 (9)	−0.006 (4)	−0.020 (6)	0.002 (5)
C319	0.121 (9)	0.063 (6)	0.152 (10)	0.015 (6)	−0.049 (7)	0.000 (6)
C310	0.119 (9)	0.108 (9)	0.131 (9)	0.039 (8)	0.029 (7)	0.034 (8)
C304	0.101 (10)	0.146 (14)	0.240 (19)	−0.029 (9)	−0.014 (11)	0.060 (14)
C311	0.121 (10)	0.096 (9)	0.178 (13)	0.034 (8)	0.017 (10)	0.035 (9)
C322	0.124 (9)	0.056 (5)	0.174 (11)	0.013 (6)	−0.071 (8)	−0.019 (6)
C305	0.145 (13)	0.095 (10)	0.237 (19)	−0.005 (10)	0.053 (13)	0.054 (12)
C336	0.136 (10)	0.062 (6)	0.167 (11)	0.003 (6)	−0.081 (9)	−0.005 (7)
C328	0.162 (12)	0.040 (5)	0.236 (17)	0.021 (6)	−0.048 (12)	0.003 (7)
C323	0.113 (9)	0.066 (6)	0.206 (14)	−0.004 (6)	−0.073 (9)	−0.003 (8)
C329	0.216 (19)	0.051 (7)	0.198 (16)	0.054 (9)	0.006 (14)	0.016 (8)
C331	0.148 (11)	0.059 (6)	0.181 (13)	−0.008 (7)	−0.038 (10)	−0.010 (7)
C335	0.150 (11)	0.058 (6)	0.179 (12)	−0.018 (6)	−0.088 (9)	0.002 (7)
C330	0.197 (16)	0.045 (6)	0.221 (17)	−0.015 (8)	0.007 (13)	0.015 (9)
C315	0.139 (12)	0.140 (13)	0.199 (15)	0.062 (10)	0.020 (10)	0.087 (12)
C301	0.216 (19)	0.095 (10)	0.166 (14)	0.012 (11)	0.076 (14)	0.034 (10)
C302	0.139 (12)	0.087 (9)	0.210 (17)	0.017 (8)	0.040 (12)	0.014 (10)
I301	0.184 (3)	0.0675 (16)	0.435 (9)	0.0508 (19)	0.139 (4)	0.079 (3)
Zn31	0.180 (6)	0.0308 (16)	0.344 (10)	−0.005 (3)	0.103 (6)	−0.003 (4)
I302	0.319 (7)	0.126 (3)	0.377 (7)	−0.103 (4)	0.172 (6)	−0.114 (4)
I406	0.249 (7)	0.120 (4)	0.316 (8)	0.099 (4)	−0.072 (5)	−0.020 (4)
Zn43	0.068 (3)	0.046 (3)	0.064 (2)	0.002 (2)	−0.024 (2)	−0.013 (2)
I405	0.081 (2)	0.0472 (12)	0.1092 (18)	0.0000 (12)	0.0029 (15)	0.0018 (11)
I303	0.175 (3)	0.0570 (15)	0.336 (5)	0.0081 (14)	−0.173 (3)	−0.0256 (18)
Zn32	0.185 (7)	0.086 (4)	0.262 (7)	0.046 (3)	−0.167 (6)	−0.074 (4)
I304	0.138 (4)	0.270 (8)	0.276 (6)	0.048 (4)	−0.073 (3)	−0.174 (5)
C314	0.189 (17)	0.123 (13)	0.206 (17)	0.103 (13)	0.025 (14)	0.042 (12)

Geometric parameters (Å, º)

I306—Zn33	2.546 (9)	C332—H332	0.9500
I305—Zn33	2.515 (9)	C332—C333	1.331 (14)
I403—Zn42	2.621 (10)	C303—C304	1.42 (2)
I404—Zn42	2.531 (9)	C303—C302	1.377 (19)
I401—Zn41	2.533 (6)	C327—C325	1.468 (12)
Zn33—N305^i	2.025 (12)	C327—C328	1.375 (16)
Zn33—N312	2.042 (10)	C327—C331	1.399 (17)
I402—Zn41	2.530 (5)	C320—H320	0.9500
Zn42—N306	2.054 (10)	C320—C319	1.387 (14)
Zn42—N307	2.093 (9)	N301—C305	1.31 (2)
Zn41—N311^ii	2.127 (11)	N301—C301	1.316 (19)
Zn41—N301	2.020 (16)	N301—Zn31	1.990 (16)
N302—C308	1.338 (14)	N301—Zn51	2.59 (6)
N302—C306	1.327 (14)	C333—H333	0.9500
N308—C326	1.344 (12)	C333—C334	1.423 (13)
N308—C324	1.339 (12)	C334—C335	1.357 (13)
N310—C326	1.353 (11)	C318—H318	0.9500
N310—C325	1.308 (13)	C318—C317	1.401 (16)
N305—C312	1.348 (14)	C317—H317	0.9500
N305—C311	1.330 (17)	C319—H319	0.9500
N305—Zn53^iii	2.17 (4)	C310—H310	0.9500
N303—C307	1.323 (14)	C310—C311	1.487 (18)
N303—C306	1.340 (13)	C304—H304	0.9500
N304—C308	1.319 (13)	C304—C305	1.44 (3)
N304—C307	1.371 (14)	C311—H311	0.9500
N306—C318	1.273 (16)	C322—H322	0.9500
N306—Zn32	2.117 (11)	C322—C323	1.372 (14)
N306—C314	1.35 (2)	C305—H305	0.9500
N312—C332	1.351 (12)	C336—H336	0.9500
N312—C336	1.304 (14)	C336—C335	1.381 (15)
N312—Zn43	2.101 (11)	C328—H328	0.9500
N312—Zn53	2.10 (5)	C328—C329	1.42 (2)
N309—C324	1.333 (14)	C323—H323	0.9500
N309—C325	1.348 (13)	C329—H329	0.9500
C308—C316	1.455 (15)	C329—Zn51^iv	2.50 (5)
C309—C313	1.355 (15)	C331—H331	0.9500
C309—C307	1.492 (13)	C331—C330	1.367 (16)
C309—C310	1.356 (16)	C335—H335	0.9500
C316—C317	1.357 (17)	C330—H330	0.9500
C316—C315	1.407 (17)	C315—H315	0.9500
C313—H313	0.9500	C315—C314	1.37 (2)
C313—C312	1.380 (14)	C301—H301	0.9500
N311—C329	1.29 (2)	C301—C302	1.33 (2)
N311—C330	1.27 (2)	C302—H302	0.9500
N311—Zn31^iv	2.131 (11)	I301—Zn31	2.515 (8)
N311—Zn51^iv	2.17 (5)	Zn31—I302	2.540 (10)
C326—C334	1.461 (13)	I406—Zn43	2.502 (8)
C321—C324	1.437 (13)	Zn43—I405	2.478 (9)
C321—C320	1.372 (13)	I501—Zn51	2.517 (18)
C321—C322	1.416 (15)	I502—Zn51	2.535 (18)
N307—C319	1.319 (15)	I505—Zn53	2.73 (4)
N307—C323	1.306 (15)	I506—Zn53	2.539 (16)
N307—Zn32	2.078 (8)	I303—Zn32	2.533 (8)
C306—C303	1.455 (17)	Zn32—I304	2.499 (10)
C312—H312	0.9500	C314—H314	0.9500
I305—Zn33—I306	126.9 (4)	C301—N301—Zn51	109.0 (17)
N305^i—Zn33—I306	108.0 (5)	C332—C333—H333	121.5
N305^i—Zn33—I305	109.0 (5)	C332—C333—C334	116.9 (8)
N305^i—Zn33—N312	100.5 (5)	C334—C333—H333	121.5
N312—Zn33—I306	102.8 (5)	C333—C334—C326	121.2 (8)
N312—Zn33—I305	106.3 (5)	C335—C334—C326	121.0 (9)
I404—Zn42—I403	126.1 (5)	C335—C334—C333	117.7 (9)
N306—Zn42—I403	108.1 (5)	N306—C318—H318	119.6
N306—Zn42—I404	105.7 (6)	N306—C318—C317	120.9 (14)
N306—Zn42—N307	100.8 (5)	C317—C318—H318	119.6
N307—Zn42—I403	106.7 (5)	C316—C317—C318	122.7 (11)
N307—Zn42—I404	106.8 (5)	C316—C317—H317	118.7
I402—Zn41—I401	121.0 (3)	C318—C317—H317	118.7
N311^ii—Zn41—I401	107.6 (5)	N310—C325—N309	124.7 (8)
N311^ii—Zn41—I402	109.4 (5)	N310—C325—C327	116.8 (9)
N301—Zn41—I401	99.4 (5)	N309—C325—C327	118.1 (9)
N301—Zn41—I402	116.6 (7)	N307—C319—C320	122.6 (10)
N301—Zn41—N311^ii	100.7 (5)	N307—C319—H319	118.7
C306—N302—C308	114.4 (10)	C320—C319—H319	118.7
C324—N308—C326	116.7 (8)	C309—C310—H310	121.2
C325—N310—C326	116.7 (8)	C309—C310—C311	117.6 (12)
Zn33^iii—N305—Zn53^iii	3.1 (9)	C311—C310—H310	121.2
C312—N305—Zn33^iii	122.4 (9)	C303—C304—H304	123.4
C312—N305—Zn53^iii	120.0 (11)	C303—C304—C305	113.1 (16)
C311—N305—Zn33^iii	115.6 (8)	C305—C304—H304	123.4
C311—N305—C312	121.6 (10)	N305—C311—C310	117.9 (12)
C311—N305—Zn53^iii	118.2 (10)	N305—C311—H311	121.1
C307—N303—C306	115.1 (10)	C310—C311—H311	121.1
C308—N304—C307	113.0 (10)	C321—C322—H322	119.8
C318—N306—Zn42	126.2 (12)	C323—C322—C321	120.4 (10)
C318—N306—Zn32	119.9 (11)	C323—C322—H322	119.8
C318—N306—C314	119.7 (12)	N301—C305—C304	127.7 (16)
C314—N306—Zn42	114.0 (9)	N301—C305—H305	116.2
C314—N306—Zn32	120.4 (9)	C304—C305—H305	116.2
C332—N312—Zn33	123.7 (7)	N312—C336—H336	118.8
C332—N312—Zn43	121.9 (7)	N312—C336—C335	122.4 (9)
C332—N312—Zn53	121.2 (14)	C335—C336—H336	118.8
C336—N312—Zn33	119.6 (7)	C327—C328—H328	120.5
C336—N312—C332	116.7 (8)	C327—C328—C329	119.1 (14)
C336—N312—Zn43	121.4 (7)	C329—C328—H328	120.5
C336—N312—Zn53	121.9 (14)	N307—C323—C322	122.3 (11)
C324—N309—C325	115.6 (8)	N307—C323—H323	118.8
N302—C308—C316	116.5 (9)	C322—C323—H323	118.8
N304—C308—N302	126.9 (10)	N311—C329—C328	121.0 (13)
N304—C308—C316	116.5 (12)	N311—C329—H329	119.5
C313—C309—C307	123.0 (10)	N311—C329—Zn51^iv	59.9 (11)
C313—C309—C310	121.0 (9)	C328—C329—H329	119.5
C310—C309—C307	115.6 (12)	C328—C329—Zn51^iv	168 (2)
C317—C316—C308	123.1 (10)	Zn51^iv—C329—H329	61.1
C317—C316—C315	114.6 (11)	C327—C331—H331	120.0
C315—C316—C308	121.9 (13)	C330—C331—C327	120.0 (14)
C309—C313—H313	120.0	C330—C331—H331	120.0
C309—C313—C312	120.0 (10)	C334—C335—C336	120.3 (10)
C312—C313—H313	120.0	C334—C335—H335	119.9
Zn41^iv—N311—Zn31^iv	18.8 (3)	C336—C335—H335	119.9
Zn41^iv—N311—Zn51^iv	40.2 (12)	N311—C330—C331	123.0 (16)
C329—N311—Zn41^iv	126.9 (11)	N311—C330—H330	118.5
C329—N311—Zn31^iv	108.2 (11)	C331—C330—H330	118.5
C329—N311—Zn51^iv	89.0 (13)	C316—C315—H315	119.9
C330—N311—Zn41^iv	112.1 (11)	C314—C315—C316	120.2 (17)
C330—N311—C329	120.8 (12)	C314—C315—H315	119.9
C330—N311—Zn31^iv	130.9 (12)	N301—C301—H301	117.3
C330—N311—Zn51^iv	149.4 (14)	N301—C301—C302	125.4 (19)
N308—C326—N310	122.4 (9)	C302—C301—H301	117.3
N308—C326—C334	119.8 (8)	C303—C302—H302	119.7
N310—C326—C334	117.8 (8)	C301—C302—C303	120.6 (18)
C320—C321—C324	124.2 (9)	C301—C302—H302	119.7
C320—C321—C322	115.5 (9)	N311^ii—Zn31—I301	116.4 (5)
C322—C321—C324	120.0 (9)	N311^ii—Zn31—I302	98.7 (6)
C319—N307—Zn42	120.4 (8)	N301—Zn31—N311^ii	101.5 (5)
C319—N307—Zn32	115.6 (8)	N301—Zn31—I301	113.2 (7)
C323—N307—Zn42	120.5 (8)	N301—Zn31—I302	102.7 (6)
C323—N307—C319	119.0 (9)	I301—Zn31—I302	121.4 (3)
C323—N307—Zn32	124.6 (7)	N305^i—Zn43—N312	96.7 (5)
N303—C307—N304	125.1 (9)	N305^i—Zn43—I406	105.1 (5)
N303—C307—C309	118.4 (10)	N305^i—Zn43—I405	108.3 (4)
N304—C307—C309	116.4 (11)	N312—Zn43—I406	105.1 (4)
N302—C306—N303	125.1 (13)	N312—Zn43—I405	112.5 (4)
N302—C306—C303	118.1 (10)	I405—Zn43—I406	125.2 (4)
N303—C306—C303	116.8 (11)	N311^ii—Zn51—N301	83.7 (17)
N305—C312—C313	120.9 (11)	N311^ii—Zn51—C329^ii	31.1 (8)
N305—C312—H312	119.6	N311^ii—Zn51—I501	131 (2)
C313—C312—H312	119.6	N311^ii—Zn51—I502	95.5 (13)
N312—C332—H332	117.3	C329^ii—Zn51—N301	95.5 (17)
C333—C332—N312	125.3 (9)	C329^ii—Zn51—I501	100.4 (15)
C333—C332—H332	117.3	C329^ii—Zn51—I502	124.0 (18)
C304—C303—C306	119.5 (13)	I501—Zn51—N301	105 (2)
C302—C303—C306	122.2 (12)	I501—Zn51—I502	131 (2)
C302—C303—C304	117.4 (15)	I502—Zn51—N301	90.8 (17)
N308—C324—C321	118.1 (9)	N305^i—Zn53—I505	99.8 (11)
N309—C324—N308	123.8 (9)	N305^i—Zn53—I506	113.1 (15)
N309—C324—C321	118.0 (9)	N312—Zn53—N305^i	94.3 (18)
C328—C327—C325	124.5 (11)	N312—Zn53—I505	104.8 (13)
C328—C327—C331	115.7 (10)	N312—Zn53—I506	101.0 (15)
C331—C327—C325	119.8 (10)	I506—Zn53—I505	136.0 (19)
C321—C320—H320	119.9	N306—Zn32—I303	104.6 (5)
C321—C320—C319	120.2 (10)	N306—Zn32—I304	108.3 (5)
C319—C320—H320	119.9	N307—Zn32—N306	99.2 (4)
C305—N301—Zn41	111.3 (14)	N307—Zn32—I303	103.9 (4)
C305—N301—C301	113.7 (16)	N307—Zn32—I304	107.8 (5)
C305—N301—Zn31	128.0 (13)	I304—Zn32—I303	129.1 (4)
C305—N301—Zn51	136.3 (15)	N306—C314—C315	121.4 (15)
C301—N301—Zn41	132.0 (14)	N306—C314—H314	119.3
C301—N301—Zn31	118.1 (15)	C315—C314—H314	119.3
Zn33^iii—N305—C312—C313	−167.1 (8)	C324—N308—C326—C334	−178.7 (11)
Zn33^iii—N305—C311—C310	162.6 (11)	C324—N309—C325—N310	2 (2)
Zn33—N312—C332—C333	−169.3 (12)	C324—N309—C325—C327	−170.7 (12)
Zn33—N312—C336—C335	171.7 (14)	C324—C321—C320—C319	−175.5 (14)
Zn42—N306—C318—C317	−178.6 (9)	C324—C321—C322—C323	173.4 (15)
Zn42—N306—C314—C315	177.4 (17)	C327—C328—C329—N311	−7 (3)
Zn42—N307—C319—C320	−177.8 (12)	C327—C328—C329—Zn51^iv	−98 (7)
Zn42—N307—C323—C322	175.2 (13)	C327—C331—C330—N311	−6 (3)
Zn41^iv—N311—C329—C328	179.9 (13)	C320—C321—C324—N308	178.3 (13)
Zn41^iv—N311—C330—C331	−174.3 (16)	C320—C321—C324—N309	−6 (2)
Zn41—N301—C305—C304	−170.1 (17)	C320—C321—C322—C323	0 (2)
Zn41—N301—C301—C302	171.4 (16)	N301—C301—C302—C303	−17 (3)
N302—C308—C316—C317	163.1 (10)	C333—C334—C335—C336	2 (2)
N302—C308—C316—C315	−24.8 (16)	C318—N306—C314—C315	−6 (3)
N302—C306—C303—C304	10.5 (16)	C317—C316—C315—C314	−7 (2)
N302—C306—C303—C302	−159.1 (12)	C325—N310—C326—N308	0.9 (18)
N308—C326—C334—C333	0.6 (18)	C325—N310—C326—C334	−178.5 (11)
N308—C326—C334—C335	−176.2 (14)	C325—N309—C324—N308	1.5 (19)
N310—C326—C334—C333	−179.9 (12)	C325—N309—C324—C321	−174.1 (12)
N310—C326—C334—C335	3.2 (19)	C325—C327—C328—C329	−177.2 (16)
N303—C306—C303—C304	−169.1 (12)	C325—C327—C331—C330	−176.6 (16)
N303—C306—C303—C302	21.3 (16)	C319—N307—C323—C322	−2 (3)
N304—C308—C316—C317	−19.2 (14)	C310—C309—C313—C312	4.1 (16)
N304—C308—C316—C315	152.9 (13)	C310—C309—C307—N303	−8.3 (14)
N306—C318—C317—C316	−5.5 (18)	C310—C309—C307—N304	171.2 (10)
N312—C332—C333—C334	−6 (2)	C304—C303—C302—C301	14 (2)
N312—C336—C335—C334	2 (3)	C311—N305—C312—C313	5.3 (17)
C308—N302—C306—N303	−1.7 (14)	C322—C321—C324—N308	5.3 (19)
C308—N302—C306—C303	178.7 (9)	C322—C321—C324—N309	−178.8 (13)
C308—N304—C307—N303	−6.3 (13)	C322—C321—C320—C319	−2 (2)
C308—N304—C307—C309	174.3 (8)	C305—N301—C301—C302	13 (3)
C308—C316—C317—C318	178.7 (10)	C336—N312—C332—C333	10 (2)
C308—C316—C315—C314	−179.4 (16)	C328—C327—C325—N310	−173.1 (16)
C309—C313—C312—N305	−1.7 (15)	C328—C327—C325—N309	0 (2)
C309—C310—C311—N305	12 (2)	C328—C327—C331—C330	5 (3)
C316—C315—C314—N306	7 (3)	C323—N307—C319—C320	−1 (2)
C313—C309—C307—N303	179.1 (9)	C329—N311—C330—C331	0 (3)
C313—C309—C307—N304	−1.4 (13)	C331—C327—C325—N310	9 (2)
C313—C309—C310—C311	−9.1 (19)	C331—C327—C325—N309	−178.3 (14)
C326—N308—C324—N309	−3.1 (19)	C331—C327—C328—C329	1 (3)
C326—N308—C324—C321	172.5 (12)	C330—N311—C329—C328	7 (3)
C326—N310—C325—N309	−2.8 (19)	C330—N311—C329—Zn51^iv	172 (2)
C326—N310—C325—C327	169.7 (11)	C315—C316—C317—C318	6.0 (18)
C326—C334—C335—C336	178.8 (15)	C301—N301—C305—C304	−7 (3)
C321—C320—C319—N307	3 (2)	C302—C303—C304—C305	−8 (2)
C321—C322—C323—N307	2 (3)	Zn31^iv—N311—C329—C328	−177.7 (15)
C307—N303—C306—N302	−0.8 (14)	Zn31^iv—N311—C330—C331	−174.6 (14)
C307—N303—C306—C303	178.8 (8)	Zn31—N301—C305—C304	177.2 (15)
C307—N304—C308—N302	3.4 (14)	Zn31—N301—C301—C302	−171.0 (16)
C307—N304—C308—C316	−174.0 (8)	Zn43—N312—C332—C333	−168.6 (11)
C307—C309—C313—C312	176.4 (9)	Zn43—N312—C336—C335	171.0 (14)
C307—C309—C310—C311	178.1 (11)	Zn51^iv—N311—C329—C328	−166 (2)
C306—N302—C308—N304	0.2 (14)	Zn51^iv—N311—C330—C331	165 (4)
C306—N302—C308—C316	177.7 (8)	Zn51—N301—C305—C304	160.5 (18)
C306—N303—C307—N304	5.1 (14)	Zn51—N301—C301—C302	−158 (2)
C306—N303—C307—C309	−175.4 (8)	Zn53^iii—N305—C312—C313	−169.5 (16)
C306—C303—C304—C305	−178.0 (13)	Zn53^iii—N305—C311—C310	164.6 (17)
C306—C303—C302—C301	−176.4 (14)	Zn53—N312—C332—C333	−164.4 (13)
C312—N305—C311—C310	−10 (2)	Zn53—N312—C336—C335	166.8 (15)
C332—N312—C336—C335	−8 (2)	Zn32—N306—C318—C317	−174.9 (9)
C332—C333—C334—C326	−176.8 (13)	Zn32—N306—C314—C315	174.1 (16)
C332—C333—C334—C335	0 (2)	Zn32—N307—C319—C320	−171.7 (13)
C303—C304—C305—N301	5 (3)	Zn32—N307—C323—C322	168.2 (13)
C324—N308—C326—N310	1.9 (18)	C314—N306—C318—C317	5 (2)

Symmetry codes: (i) x+1/2, −y+3/2, z+1/2; (ii) x−1/2, y−1/2, z; (iii) x−1/2, −y+3/2, z−1/2; (iv) x+1/2, y+1/2, z.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (4_10_96b)

Crystal data

C38.783H26.968I6N12O0.557Zn3	F(000) = 6049
Mr = 1627.49	Dx = 1.369 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.7075 (8) Å	Cell parameters from 9887 reflections
b = 14.9722 (3) Å	θ = 2.9–73.4°
c = 31.1023 (9) Å	µ = 19.69 mm^−1
β = 102.185 (2)°	T = 100 K
V = 15798.1 (7) Å^3	Block, light yellow
Z = 8	0.16 × 0.15 × 0.07 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	14397 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	10040 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.042
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −40→41
Absorption correction: analytical CrysAlisPro 1.171.41.122a (Rigaku Oxford Diffraction, 2021) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −18→17
Tmin = 0.130, Tmax = 0.364	l = −36→37
53948 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.094	H-atom parameters constrained
wR(F^2) = 0.322	w = 1/[σ^2(Fo^2) + (0.196P)^2 + 82.0058P] where P = (Fo^2 + 2Fc^2)/3
S = 1.05	(Δ/σ)max = 0.004
14397 reflections	Δρmax = 1.22 e Å^−3
753 parameters	Δρmin = −1.13 e Å^−3
293 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I402	0.02248 (15)	0.3559 (3)	0.13485 (18)	0.0930 (10)	0.3864
I401	0.11317 (14)	0.2605 (4)	0.0624 (3)	0.0935 (10)	0.3864
I405	0.3927 (2)	0.2582 (4)	0.4012 (3)	0.1331 (18)	0.48 (2)
I406	0.35054 (18)	0.4115 (6)	0.5079 (3)	0.143 (2)	0.48 (2)
I303	0.12802 (9)	1.16288 (13)	0.19535 (7)	0.1055 (7)	0.52
I304	0.23371 (8)	1.23369 (14)	0.29450 (8)	0.0991 (6)	0.52
Zn43	0.3754 (2)	0.3996 (6)	0.4367 (3)	0.096 (3)	0.48 (2)
Zn41	0.0781 (3)	0.3826 (7)	0.0961 (4)	0.092 (3)	0.3864
Zn32	0.17212 (18)	1.1410 (3)	0.27034 (18)	0.0809 (11)	0.52
N302	0.2211 (2)	0.5535 (5)	0.2716 (3)	0.079 (2)
N308	0.5235 (2)	0.7286 (6)	0.4721 (3)	0.080 (2)
N310	0.5756 (3)	0.7778 (6)	0.4381 (3)	0.082 (2)
N304	0.2357 (3)	0.6901 (5)	0.3103 (3)	0.083 (2)
N303	0.1822 (2)	0.6822 (4)	0.2495 (3)	0.080 (2)
N312	0.5660 (4)	1.0168 (7)	0.5481 (4)	0.104 (3)
N309	0.5402 (3)	0.6444 (6)	0.4140 (4)	0.087 (3)
N307	0.4223 (3)	0.4867 (7)	0.4453 (3)	0.091 (3)
N306	0.3324 (3)	0.4707 (5)	0.3939 (3)	0.090 (3)
N301	0.1217 (3)	0.4506 (6)	0.1400 (4)	0.109 (4)
C325	0.5522 (3)	0.7861 (6)	0.4660 (4)	0.078 (3)
C324	0.5184 (3)	0.6612 (6)	0.4435 (4)	0.073 (2)
N305	0.1872 (4)	1.0063 (6)	0.2793 (5)	0.111 (4)
C306	0.1906 (3)	0.5951 (5)	0.2461 (4)	0.077 (3)
C308	0.2416 (3)	0.6049 (6)	0.3047 (4)	0.076 (3)
C327	0.5560 (3)	0.8686 (7)	0.4942 (4)	0.081 (3)
C328	0.5305 (3)	0.8879 (7)	0.5206 (4)	0.081 (3)
H328	0.508908	0.849404	0.521450	0.097*
N311	0.6434 (4)	0.6590 (7)	0.3224 (5)	0.116 (4)
C316	0.2736 (3)	0.5588 (6)	0.3361 (4)	0.078 (3)
C321	0.4858 (3)	0.6004 (6)	0.4452 (4)	0.079 (3)
C303	0.1669 (3)	0.5443 (6)	0.2091 (4)	0.084 (3)
C307	0.2063 (3)	0.7263 (6)	0.2806 (4)	0.077 (3)
C309	0.1994 (3)	0.8254 (6)	0.2826 (4)	0.083 (3)
C304	0.1745 (3)	0.4558 (7)	0.2009 (4)	0.082 (3)
H304	0.196032	0.425528	0.218953	0.099*
C305	0.1512 (4)	0.4128 (7)	0.1670 (4)	0.093 (4)
H305	0.156439	0.351593	0.162476	0.112*
C329	0.5363 (4)	0.9651 (7)	0.5466 (4)	0.093 (4)
H329	0.517591	0.979589	0.563850	0.112*
C314	0.3116 (3)	0.4286 (7)	0.3592 (5)	0.102 (4)
H314	0.317777	0.368046	0.354622	0.122*
C326	0.5690 (3)	0.7040 (7)	0.4129 (4)	0.082 (3)
C320	0.4669 (3)	0.5988 (8)	0.4787 (5)	0.090 (3)
H320	0.474682	0.638163	0.502902	0.108*
C315	0.2816 (3)	0.4678 (6)	0.3299 (4)	0.094 (4)
H315	0.266533	0.434836	0.306111	0.113*
C319	0.4353 (4)	0.5385 (8)	0.4779 (5)	0.100 (4)
H319	0.423212	0.536407	0.502585	0.120*
C317	0.2953 (4)	0.6032 (7)	0.3712 (4)	0.103 (4)
H317	0.290705	0.664409	0.376283	0.124*
C318	0.3245 (4)	0.5552 (7)	0.3992 (5)	0.108 (5)
H318	0.339760	0.585526	0.423882	0.130*
C313	0.2254 (4)	0.8793 (7)	0.3106 (5)	0.095 (4)
H313	0.247158	0.854604	0.330853	0.114*
C333	0.5938 (3)	0.6902 (8)	0.3810 (5)	0.094 (3)
C312	0.2189 (5)	0.9710 (8)	0.3082 (6)	0.110 (4)
H312	0.236681	1.009743	0.326927	0.131*
C311	0.1623 (5)	0.9539 (8)	0.2550 (7)	0.125 (5)
H311	0.139725	0.979599	0.236442	0.150*
C310	0.1666 (4)	0.8631 (9)	0.2544 (6)	0.112 (4)
H310	0.147966	0.826709	0.235494	0.134*
C01C	0.5870 (5)	0.9220 (9)	0.4940 (6)	0.118 (5)
H01C	0.605388	0.910319	0.475947	0.141*
C302	0.1360 (5)	0.5856 (7)	0.1815 (6)	0.155 (9)
H302	0.129668	0.646228	0.185574	0.186*
C334	0.6317 (4)	0.7338 (10)	0.3874 (7)	0.123 (5)
H334	0.641141	0.773333	0.411213	0.147*
C335	0.6535 (5)	0.7123 (16)	0.3551 (7)	0.138 (6)
H335	0.678366	0.740723	0.357937	0.166*
C332	0.5822 (5)	0.6314 (12)	0.3448 (6)	0.127 (5)
H332	0.557290	0.602242	0.339338	0.153*
C301	0.1148 (6)	0.5359 (8)	0.1477 (7)	0.181 (11)
H301	0.093556	0.564469	0.128371	0.217*
C330	0.5908 (5)	0.9984 (11)	0.5230 (7)	0.133 (6)
H330	0.612495	1.037492	0.523913	0.159*
C331	0.6091 (6)	0.6183 (12)	0.3175 (7)	0.137 (6)
H331	0.602118	0.577257	0.293878	0.165*
C323	0.4338 (6)	0.5024 (15)	0.4082 (6)	0.109 (4)	0.681 (17)
H323	0.419573	0.475862	0.381894	0.131*	0.681 (17)
C322	0.4660 (6)	0.5563 (15)	0.4061 (6)	0.109 (4)	0.681 (17)
H322	0.474559	0.563590	0.379308	0.131*	0.681 (17)
I305	0.3865 (3)	0.2604 (3)	0.4137 (5)	0.156 (3)	0.52 (2)
Zn33	0.3729 (2)	0.4097 (6)	0.4441 (3)	0.102 (3)	0.52 (2)
I306	0.35186 (19)	0.4283 (8)	0.5170 (3)	0.181 (3)	0.52 (2)
I302	0.02684 (15)	0.3441 (3)	0.12487 (16)	0.178 (2)	0.5744
Zn31	0.0847 (2)	0.3773 (5)	0.0912 (2)	0.116 (3)	0.5744
I301	0.12530 (15)	0.2699 (3)	0.05551 (18)	0.164 (2)	0.5744
Zn42	0.1868 (3)	1.1475 (4)	0.2903 (3)	0.130 (4)	0.4331
I403	0.14803 (19)	1.1961 (3)	0.2150 (2)	0.197 (3)	0.4331
I404	0.25141 (10)	1.21911 (18)	0.3220 (2)	0.1456 (15)	0.4331
I504	0.2622 (5)	1.1956 (14)	0.3512 (5)	0.080*	0.0468
I503	0.1440 (5)	1.2119 (16)	0.2327 (6)	0.080*	0.0468
Zn52	0.1848 (15)	1.153 (4)	0.3071 (18)	0.080*	0.0468
I502	0.0100 (7)	0.3709 (16)	0.1182 (8)	0.080*	0.0392
I501	0.1022 (6)	0.2533 (14)	0.0842 (7)	0.080*	0.0392
Zn51	0.0731 (5)	0.4052 (18)	0.0940 (9)	0.080*	0.0392
O2A	0.5178 (13)	0.310 (3)	0.3922 (13)	0.101 (10)	0.1855
O3A	0.4316 (10)	0.278 (2)	0.2545 (10)	0.092 (8)	0.1855
C8A	0.4995 (10)	0.258 (2)	0.3594 (9)	0.095 (9)	0.1855
C9A	0.5068 (11)	0.167 (2)	0.3629 (11)	0.100 (10)	0.1855
H9A	0.523870	0.143646	0.388342	0.120*	0.1855
C10A	0.4891 (12)	0.1100 (16)	0.3292 (13)	0.105 (11)	0.1855
H10A	0.494149	0.047665	0.331597	0.126*	0.1855
C11A	0.4642 (11)	0.1443 (16)	0.2919 (12)	0.092 (10)	0.1855
H11A	0.452094	0.105323	0.268912	0.110*	0.1855
C12A	0.4568 (8)	0.2356 (17)	0.2884 (9)	0.081 (8)	0.1855
C7A	0.4745 (9)	0.2926 (14)	0.3221 (9)	0.086 (8)	0.1855
C15A	0.4161 (19)	0.224 (4)	0.2165 (14)	0.114 (19)	0.1855
H15A	0.387280	0.224053	0.211115	0.171*	0.1855
H15B	0.425973	0.162992	0.221741	0.171*	0.1855
H15C	0.424611	0.248843	0.190804	0.171*	0.1855
C14A	0.5472 (19)	0.272 (6)	0.4265 (16)	0.12 (2)	0.1855
H14A	0.542997	0.207923	0.428068	0.182*	0.1855
H14B	0.545489	0.299977	0.454662	0.182*	0.1855
H14C	0.573343	0.283778	0.420436	0.182*	0.1855
C423	0.4523 (8)	0.460 (2)	0.4287 (13)	0.109 (4)	0.319 (17)
H423	0.451448	0.401753	0.416394	0.131*	0.319 (17)
C422	0.4853 (9)	0.5127 (17)	0.4283 (12)	0.109 (4)	0.319 (17)
H422	0.506759	0.490344	0.417027	0.131*	0.319 (17)
C13A	0.5341 (11)	0.413 (3)	0.305 (2)	0.108 (12)	0.1855
H13A	0.547835	0.385299	0.332654	0.129*	0.1855
H13B	0.529356	0.366573	0.281817	0.129*	0.1855
C4A	0.4663 (8)	0.3899 (14)	0.3173 (12)	0.096 (8)	0.1855
C5A	0.4951 (8)	0.4499 (17)	0.3107 (12)	0.099 (9)	0.1855
C6A	0.4871 (11)	0.5409 (16)	0.3084 (15)	0.105 (11)	0.1855
H6A	0.506783	0.581956	0.303937	0.126*	0.1855
C1A	0.4504 (11)	0.5720 (15)	0.3128 (14)	0.093 (10)	0.1855
H1A	0.444973	0.634242	0.311317	0.111*	0.1855
C2A	0.4217 (8)	0.5120 (19)	0.3194 (13)	0.087 (9)	0.1855
H2A	0.396561	0.533222	0.322429	0.104*	0.1855
C3A	0.4296 (8)	0.4209 (18)	0.3216 (13)	0.089 (10)	0.1855
H3A	0.409958	0.379914	0.326160	0.107*	0.1855
O1A	0.5584 (11)	0.480 (3)	0.2928 (14)	0.108 (12)	0.1855
H1AA	0.550993	0.530610	0.299790	0.163*	0.1855

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I402	0.1066 (19)	0.0671 (15)	0.088 (2)	−0.0115 (13)	−0.0195 (15)	−0.0135 (14)
I401	0.0951 (14)	0.0478 (16)	0.121 (3)	0.0028 (10)	−0.0137 (14)	0.0002 (15)
I405	0.147 (3)	0.075 (2)	0.164 (3)	0.029 (2)	0.001 (4)	0.0048 (19)
I406	0.097 (3)	0.171 (4)	0.166 (4)	0.003 (2)	0.040 (3)	0.048 (4)
I303	0.1640 (19)	0.0508 (10)	0.0940 (10)	0.0186 (10)	0.0097 (11)	0.0093 (8)
I304	0.1225 (17)	0.0490 (8)	0.1317 (15)	−0.0186 (10)	0.0403 (11)	−0.0208 (9)
Zn43	0.072 (4)	0.067 (3)	0.138 (5)	−0.009 (2)	−0.002 (4)	0.015 (3)
Zn41	0.091 (3)	0.040 (4)	0.118 (6)	−0.011 (2)	−0.040 (3)	−0.007 (3)
Zn32	0.113 (3)	0.0363 (16)	0.092 (2)	0.0011 (16)	0.0175 (18)	−0.0043 (14)
N302	0.087 (5)	0.032 (3)	0.096 (5)	−0.012 (3)	−0.030 (4)	0.011 (3)
N308	0.077 (5)	0.058 (5)	0.091 (5)	−0.004 (4)	−0.019 (4)	−0.009 (4)
N310	0.077 (5)	0.053 (4)	0.104 (6)	0.002 (4)	−0.010 (5)	0.000 (4)
N304	0.099 (6)	0.035 (4)	0.095 (5)	−0.017 (4)	−0.023 (4)	0.000 (4)
N303	0.093 (5)	0.027 (3)	0.099 (5)	−0.003 (3)	−0.024 (4)	0.007 (3)
N312	0.107 (7)	0.063 (6)	0.115 (7)	0.000 (5)	−0.037 (6)	−0.016 (5)
N309	0.078 (5)	0.052 (4)	0.124 (7)	−0.005 (4)	0.005 (5)	−0.010 (5)
N307	0.078 (5)	0.075 (6)	0.106 (7)	−0.017 (4)	−0.010 (5)	−0.002 (5)
N306	0.087 (5)	0.048 (4)	0.112 (6)	−0.014 (4)	−0.033 (5)	0.014 (4)
N301	0.125 (7)	0.041 (4)	0.122 (7)	−0.022 (4)	−0.064 (6)	0.021 (4)
C325	0.067 (5)	0.053 (5)	0.096 (7)	−0.003 (4)	−0.020 (5)	−0.001 (5)
C324	0.067 (5)	0.052 (5)	0.090 (6)	0.004 (4)	−0.001 (5)	−0.010 (4)
N305	0.116 (8)	0.047 (5)	0.171 (11)	0.009 (5)	0.032 (8)	0.011 (6)
C306	0.081 (6)	0.032 (4)	0.100 (6)	−0.012 (4)	−0.020 (5)	0.008 (4)
C308	0.080 (5)	0.035 (4)	0.096 (6)	−0.013 (4)	−0.021 (5)	0.007 (4)
C327	0.074 (6)	0.053 (5)	0.098 (7)	−0.006 (4)	−0.026 (5)	−0.003 (5)
C328	0.074 (6)	0.055 (5)	0.095 (7)	0.006 (4)	−0.024 (5)	−0.011 (5)
N311	0.135 (10)	0.057 (5)	0.171 (12)	−0.005 (6)	0.068 (9)	−0.009 (7)
C316	0.092 (6)	0.036 (4)	0.090 (6)	−0.010 (4)	−0.018 (5)	0.007 (4)
C321	0.073 (5)	0.049 (5)	0.109 (8)	0.001 (4)	0.003 (5)	−0.017 (5)
C303	0.087 (6)	0.038 (4)	0.103 (7)	−0.016 (4)	−0.030 (5)	0.012 (4)
C307	0.080 (6)	0.033 (4)	0.102 (7)	−0.005 (4)	−0.013 (5)	0.003 (4)
C309	0.095 (7)	0.029 (4)	0.112 (7)	−0.005 (4)	−0.005 (6)	0.001 (4)
C304	0.085 (6)	0.053 (5)	0.088 (6)	0.003 (4)	−0.029 (5)	−0.001 (5)
C305	0.115 (8)	0.047 (5)	0.094 (7)	0.001 (5)	−0.035 (6)	0.002 (5)
C329	0.099 (7)	0.058 (6)	0.097 (7)	0.017 (5)	−0.037 (6)	−0.009 (5)
C314	0.095 (7)	0.052 (5)	0.127 (9)	−0.012 (5)	−0.046 (7)	0.010 (6)
C326	0.067 (5)	0.054 (5)	0.116 (8)	0.003 (4)	−0.004 (5)	−0.009 (5)
C320	0.083 (6)	0.067 (6)	0.111 (8)	−0.024 (5)	−0.002 (6)	−0.005 (6)
C315	0.101 (7)	0.037 (4)	0.118 (8)	−0.008 (4)	−0.038 (6)	0.000 (5)
C319	0.095 (7)	0.069 (7)	0.125 (9)	−0.020 (6)	0.001 (7)	−0.002 (7)
C317	0.114 (8)	0.043 (5)	0.118 (8)	−0.007 (5)	−0.053 (7)	0.003 (5)
C318	0.115 (8)	0.047 (5)	0.128 (9)	−0.019 (5)	−0.056 (7)	0.007 (6)
C313	0.101 (7)	0.037 (5)	0.135 (9)	−0.008 (5)	−0.005 (7)	−0.014 (5)
C333	0.085 (7)	0.063 (6)	0.131 (9)	−0.003 (5)	0.014 (7)	−0.003 (6)
C312	0.125 (10)	0.048 (6)	0.152 (12)	−0.019 (6)	0.020 (9)	−0.018 (7)
C311	0.125 (10)	0.045 (6)	0.186 (15)	0.000 (6)	−0.008 (10)	0.021 (8)
C310	0.107 (9)	0.062 (7)	0.150 (12)	0.013 (6)	−0.012 (8)	0.017 (7)
C01C	0.123 (10)	0.077 (8)	0.153 (13)	−0.025 (7)	0.028 (9)	−0.024 (8)
C302	0.179 (14)	0.031 (5)	0.186 (15)	0.008 (6)	−0.120 (12)	−0.007 (6)
C334	0.098 (9)	0.086 (9)	0.192 (16)	−0.019 (7)	0.049 (10)	−0.017 (10)
C335	0.107 (10)	0.166 (18)	0.152 (14)	−0.030 (11)	0.052 (11)	0.010 (14)
C332	0.130 (11)	0.112 (12)	0.142 (13)	−0.021 (9)	0.035 (10)	−0.045 (10)
C301	0.201 (16)	0.040 (6)	0.216 (17)	0.011 (7)	−0.153 (15)	−0.015 (8)
C330	0.103 (10)	0.085 (10)	0.196 (17)	−0.024 (8)	0.000 (11)	−0.044 (11)
C331	0.149 (14)	0.095 (10)	0.186 (17)	−0.011 (10)	0.075 (13)	−0.041 (11)
C323	0.117 (10)	0.111 (11)	0.082 (8)	−0.045 (8)	−0.017 (6)	−0.021 (7)
C322	0.117 (10)	0.111 (11)	0.082 (8)	−0.045 (8)	−0.017 (6)	−0.021 (7)
I305	0.150 (3)	0.0494 (16)	0.208 (5)	−0.0022 (16)	−0.097 (3)	0.0293 (19)
Zn33	0.087 (4)	0.066 (3)	0.119 (4)	−0.025 (3)	−0.052 (3)	0.045 (3)
I306	0.126 (3)	0.244 (7)	0.149 (3)	−0.035 (3)	−0.027 (3)	0.121 (4)
I302	0.218 (4)	0.133 (3)	0.128 (3)	−0.113 (3)	−0.087 (2)	0.058 (2)
Zn31	0.162 (6)	0.043 (3)	0.098 (3)	−0.014 (3)	−0.075 (3)	0.018 (2)
I301	0.254 (5)	0.0551 (14)	0.133 (3)	0.031 (3)	−0.069 (3)	0.0061 (13)
Zn42	0.143 (6)	0.0324 (19)	0.245 (14)	−0.007 (3)	0.108 (6)	−0.008 (5)
I403	0.260 (6)	0.079 (2)	0.300 (7)	0.059 (3)	0.168 (5)	0.086 (3)
I404	0.118 (2)	0.0538 (15)	0.288 (5)	−0.0360 (15)	0.096 (3)	−0.051 (2)
O2A	0.11 (2)	0.10 (2)	0.089 (17)	0.026 (18)	0.030 (14)	−0.003 (15)
O3A	0.087 (18)	0.076 (18)	0.118 (17)	−0.010 (14)	0.034 (13)	−0.040 (14)
C8A	0.09 (2)	0.098 (17)	0.104 (17)	0.009 (16)	0.045 (14)	−0.007 (13)
C9A	0.11 (2)	0.098 (18)	0.11 (2)	0.012 (17)	0.054 (18)	0.002 (15)
C10A	0.11 (3)	0.10 (2)	0.12 (2)	0.011 (19)	0.063 (19)	−0.010 (15)
C11A	0.09 (2)	0.076 (15)	0.13 (2)	−0.018 (15)	0.053 (18)	−0.020 (16)
C12A	0.064 (17)	0.076 (14)	0.118 (17)	−0.016 (13)	0.052 (13)	−0.024 (13)
C7A	0.089 (18)	0.075 (13)	0.102 (16)	0.001 (12)	0.042 (13)	−0.019 (12)
C15A	0.13 (4)	0.09 (4)	0.12 (3)	0.00 (3)	0.04 (2)	−0.06 (3)
C14A	0.13 (4)	0.14 (5)	0.10 (2)	0.05 (3)	0.03 (2)	0.00 (3)
C423	0.117 (10)	0.111 (11)	0.082 (8)	−0.045 (8)	−0.017 (6)	−0.021 (7)
C422	0.117 (10)	0.111 (11)	0.082 (8)	−0.045 (8)	−0.017 (6)	−0.021 (7)
C13A	0.12 (2)	0.11 (2)	0.11 (3)	0.000 (17)	0.06 (2)	−0.02 (2)
C4A	0.112 (18)	0.073 (13)	0.11 (2)	−0.005 (12)	0.034 (17)	−0.025 (14)
C5A	0.126 (19)	0.075 (15)	0.11 (2)	−0.004 (14)	0.058 (19)	−0.024 (18)
C6A	0.14 (2)	0.073 (15)	0.11 (3)	−0.007 (16)	0.05 (2)	−0.03 (2)
C1A	0.13 (2)	0.066 (17)	0.09 (2)	−0.004 (14)	0.03 (2)	−0.01 (2)
C2A	0.11 (2)	0.067 (16)	0.08 (2)	−0.008 (14)	0.008 (19)	−0.025 (17)
C3A	0.105 (19)	0.069 (15)	0.10 (2)	−0.005 (14)	0.025 (19)	−0.021 (18)
O1A	0.10 (2)	0.14 (3)	0.08 (2)	−0.03 (2)	0.007 (18)	−0.01 (2)

Geometric parameters (Å, º)

I402—Zn41	2.512 (11)	C317—H317	0.9500
I401—Zn41	2.543 (10)	C317—C318	1.389 (15)
I405—Zn43	2.517 (9)	C318—H318	0.9500
I406—Zn43	2.548 (10)	C313—H313	0.9500
I303—Zn32	2.526 (5)	C313—C312	1.391 (16)
I304—Zn32	2.526 (5)	C333—C334	1.442 (18)
Zn43—N307	2.059 (12)	C333—C332	1.42 (2)
Zn43—N306	2.071 (11)	C312—H312	0.9500
Zn41—N312^i	2.101 (16)	C311—H311	0.9500
Zn41—N301	2.078 (12)	C311—C310	1.368 (18)
Zn32—N305	2.088 (11)	C310—H310	0.9500
Zn32—N311^ii	2.089 (15)	C01C—H01C	0.9500
N302—C306	1.334 (12)	C01C—C330	1.45 (2)
N302—C308	1.361 (12)	C302—H302	0.9500
N308—C325	1.362 (14)	C302—C301	1.367 (17)
N308—C324	1.330 (13)	C334—H334	0.9500
N310—C325	1.314 (15)	C334—C335	1.42 (2)
N310—C326	1.346 (14)	C335—H335	0.9500
N304—C308	1.310 (12)	C335—Zn52^iv	2.21 (5)
N304—C307	1.338 (12)	C332—H332	0.9500
N303—C306	1.345 (12)	C332—C331	1.40 (2)
N303—C307	1.316 (12)	C301—H301	0.9500
N312—C329	1.283 (17)	C330—H330	0.9500
N312—C330	1.31 (2)	C331—H331	0.9500
N312—Zn31^iii	2.088 (12)	C323—H323	0.9500
N312—Zn51^iii	1.82 (3)	C323—C322	1.39 (2)
N309—C324	1.331 (15)	C322—H322	0.9500
N309—C326	1.344 (14)	I305—Zn33	2.509 (9)
N307—C319	1.281 (16)	Zn33—I306	2.542 (9)
N307—C323	1.32 (2)	I302—Zn31	2.504 (9)
N307—Zn33	2.059 (11)	Zn31—I301	2.542 (8)
N307—C423	1.32 (3)	Zn42—I403	2.549 (11)
N306—C314	1.324 (14)	Zn42—I404	2.493 (9)
N306—C318	1.312 (15)	I504—Zn52	2.82 (6)
N306—Zn33	2.078 (10)	I503—Zn52	2.60 (6)
N301—C305	1.307 (13)	I502—Zn51	2.515 (17)
N301—C301	1.331 (16)	I501—Zn51	2.534 (18)
N301—Zn31	2.082 (10)	O2A—C8A	1.33 (5)
N301—Zn51	2.081 (19)	O2A—C14A	1.43 (2)
C325—C327	1.503 (15)	O3A—C12A	1.378 (19)
C324—C321	1.463 (15)	O3A—C15A	1.440 (19)
N305—C312	1.371 (19)	C8A—C9A	1.3900
N305—C311	1.289 (19)	C8A—C7A	1.3900
N305—Zn42	2.143 (11)	C9A—H9A	0.9500
N305—Zn52	2.37 (6)	C9A—C10A	1.3900
C306—C303	1.478 (13)	C10A—H10A	0.9500
C308—C316	1.484 (13)	C10A—C11A	1.3900
C327—C328	1.362 (17)	C11A—H11A	0.9500
C327—C01C	1.342 (18)	C11A—C12A	1.3900
C328—H328	0.9500	C12A—C7A	1.3900
C328—C329	1.400 (15)	C7A—C4A	1.486 (18)
N311—C335	1.28 (2)	C15A—H15A	0.9800
N311—C331	1.32 (2)	C15A—H15B	0.9798
N311—Zn42^iv	1.982 (15)	C15A—H15C	0.9802
N311—Zn52^iv	1.61 (5)	C14A—H14A	0.9800
C316—C315	1.412 (14)	C14A—H14B	0.9800
C316—C317	1.361 (14)	C14A—H14C	0.9800
C321—C320	1.343 (18)	C423—H423	0.9500
C321—C322	1.426 (18)	C423—C422	1.39 (3)
C321—C422	1.41 (2)	C422—H422	0.9500
C303—C304	1.386 (14)	C13A—H13A	0.9900
C303—C302	1.371 (14)	C13A—H13B	0.9900
C307—C309	1.507 (12)	C13A—C5A	1.506 (17)
C309—C313	1.376 (15)	C13A—O1A	1.41 (2)
C309—C310	1.399 (17)	C4A—C5A	1.3900
C304—H304	0.9500	C4A—C3A	1.3900
C304—C305	1.349 (14)	C5A—C6A	1.3900
C305—H305	0.9500	C6A—H6A	0.9500
C329—H329	0.9500	C6A—C1A	1.3900
C314—H314	0.9500	C1A—H1A	0.9500
C314—C315	1.362 (14)	C1A—C2A	1.3900
C326—C333	1.458 (18)	C2A—H2A	0.9500
C320—H320	0.9500	C2A—C3A	1.3900
C320—C319	1.417 (16)	C3A—H3A	0.9500
C315—H315	0.9500	O1A—H1AA	0.8400
C319—H319	0.9500
I405—Zn43—I406	126.5 (4)	C313—C312—H312	119.6
N307—Zn43—I405	109.5 (5)	N305—C311—H311	118.3
N307—Zn43—I406	104.3 (5)	N305—C311—C310	123.3 (14)
N307—Zn43—N306	101.5 (5)	C310—C311—H311	118.3
N306—Zn43—I405	110.9 (5)	C309—C310—H310	121.0
N306—Zn43—I406	101.2 (5)	C311—C310—C309	118.1 (13)
I402—Zn41—I401	124.5 (5)	C311—C310—H310	121.0
N312^i—Zn41—I402	113.4 (6)	C327—C01C—H01C	122.1
N312^i—Zn41—I401	105.2 (6)	C327—C01C—C330	115.8 (16)
N301—Zn41—I402	106.9 (6)	C330—C01C—H01C	122.1
N301—Zn41—I401	106.1 (6)	C303—C302—H302	121.3
N301—Zn41—N312^i	97.1 (6)	C301—C302—C303	117.3 (11)
I304—Zn32—I303	120.9 (2)	C301—C302—H302	121.3
N305—Zn32—I303	109.5 (4)	C333—C334—H334	123.0
N305—Zn32—I304	108.5 (4)	C335—C334—C333	114.0 (16)
N305—Zn32—N311^ii	99.7 (5)	C335—C334—H334	123.0
N311^ii—Zn32—I303	113.8 (5)	N311—C335—C334	127.4 (15)
N311^ii—Zn32—I304	102.2 (5)	N311—C335—H335	116.3
C306—N302—C308	114.1 (8)	N311—C335—Zn52^iv	45.9 (17)
C324—N308—C325	112.6 (10)	C334—C335—H335	116.3
C325—N310—C326	114.2 (9)	C334—C335—Zn52^iv	169 (2)
C308—N304—C307	114.9 (8)	C333—C332—H332	121.6
C307—N303—C306	115.4 (8)	C331—C332—C333	116.8 (15)
C329—N312—Zn41^iii	119.7 (12)	C331—C332—H332	121.6
C329—N312—C330	118.5 (12)	N301—C301—C302	124.9 (10)
C329—N312—Zn31^iii	128.3 (12)	N301—C301—H301	117.5
C329—N312—Zn51^iii	112.9 (14)	C302—C301—H301	117.5
C330—N312—Zn41^iii	121.2 (10)	N312—C330—C01C	123.8 (14)
C330—N312—Zn31^iii	112.9 (10)	N312—C330—H330	118.1
C330—N312—Zn51^iii	127.4 (12)	C01C—C330—H330	118.1
C324—N309—C326	115.2 (9)	N311—C331—C332	124.6 (17)
C319—N307—Zn43	128.5 (10)	N311—C331—H331	117.7
C319—N307—C323	117.6 (12)	C332—C331—H331	117.7
C319—N307—Zn33	120.4 (10)	N307—C323—H323	118.7
C319—N307—C423	108.5 (15)	N307—C323—C322	122.6 (14)
C323—N307—Zn43	112.1 (9)	C322—C323—H323	118.7
C423—N307—Zn33	123.1 (13)	C321—C322—H322	120.8
C314—N306—Zn43	118.3 (8)	C323—C322—C321	118.5 (17)
C314—N306—Zn33	124.7 (8)	C323—C322—H322	120.8
C318—N306—Zn43	123.7 (8)	N307—Zn33—N306	101.3 (5)
C318—N306—C314	118.0 (9)	N307—Zn33—I305	106.5 (5)
C318—N306—Zn33	117.0 (8)	N307—Zn33—I306	108.5 (5)
C305—N301—Zn41	124.9 (8)	N306—Zn33—I305	105.1 (5)
C305—N301—C301	116.5 (9)	N306—Zn33—I306	110.3 (6)
C305—N301—Zn31	121.2 (8)	I305—Zn33—I306	123.1 (4)
C305—N301—Zn51	135.3 (11)	N312^i—Zn31—I302	104.6 (5)
C301—N301—Zn41	117.1 (8)	N312^i—Zn31—I301	109.0 (5)
C301—N301—Zn31	122.1 (7)	N301—Zn31—N312^i	97.4 (5)
C301—N301—Zn51	106.7 (10)	N301—Zn31—I302	103.0 (5)
N308—C325—C327	114.5 (11)	N301—Zn31—I301	109.8 (5)
N310—C325—N308	127.2 (10)	I302—Zn31—I301	128.6 (3)
N310—C325—C327	118.2 (10)	N305—Zn42—I403	98.9 (5)
N308—C324—N309	126.1 (9)	N305—Zn42—I404	116.8 (5)
N308—C324—C321	116.2 (10)	N311^ii—Zn42—N305	101.4 (6)
N309—C324—C321	117.7 (9)	N311^ii—Zn42—I403	97.4 (6)
C312—N305—Zn32	127.1 (9)	N311^ii—Zn42—I404	118.7 (6)
C312—N305—Zn42	107.9 (9)	I404—Zn42—I403	119.8 (3)
C312—N305—Zn52	101.7 (16)	N305—Zn52—I504	106.5 (19)
C311—N305—Zn32	113.0 (9)	N305—Zn52—I503	93 (2)
C311—N305—C312	119.8 (10)	N311^ii—Zn52—N305	105 (3)
C311—N305—Zn42	131.9 (10)	N311^ii—Zn52—C335^ii	34.9 (12)
C311—N305—Zn52	135.0 (16)	N311^ii—Zn52—I504	131 (3)
N302—C306—N303	124.4 (8)	N311^ii—Zn52—I503	84 (2)
N302—C306—C303	117.6 (8)	C335^ii—Zn52—N305	133 (3)
N303—C306—C303	117.8 (8)	C335^ii—Zn52—I504	98 (2)
N302—C308—C316	115.8 (8)	C335^ii—Zn52—I503	102 (2)
N304—C308—N302	125.4 (8)	I503—Zn52—I504	130 (2)
N304—C308—C316	118.8 (8)	N312^i—Zn51—N301	106.6 (13)
C328—C327—C325	122.6 (10)	N312^i—Zn51—I502	112.6 (12)
C01C—C327—C325	117.3 (13)	N312^i—Zn51—I501	118.1 (14)
C01C—C327—C328	120.0 (11)	N301—Zn51—I502	119.5 (15)
C327—C328—H328	120.3	N301—Zn51—I501	95.1 (10)
C327—C328—C329	119.5 (11)	I502—Zn51—I501	104.3 (12)
C329—C328—H328	120.3	C8A—O2A—C14A	120 (4)
C335—N311—Zn32^iv	126.9 (11)	C12A—O3A—C15A	116 (2)
C335—N311—C331	117.8 (14)	O2A—C8A—C9A	117 (3)
C335—N311—Zn42^iv	110.2 (11)	O2A—C8A—C7A	123 (3)
C335—N311—Zn52^iv	99 (2)	C9A—C8A—C7A	120.0
C331—N311—Zn32^iv	114.8 (13)	C8A—C9A—H9A	120.0
C331—N311—Zn42^iv	131.8 (12)	C10A—C9A—C8A	120.0
C331—N311—Zn52^iv	142 (2)	C10A—C9A—H9A	120.0
C315—C316—C308	120.0 (8)	C9A—C10A—H10A	120.0
C317—C316—C308	120.7 (9)	C9A—C10A—C11A	120.0
C317—C316—C315	119.2 (9)	C11A—C10A—H10A	120.0
C320—C321—C324	123.2 (10)	C10A—C11A—H11A	120.0
C320—C321—C322	115.2 (12)	C12A—C11A—C10A	120.0
C320—C321—C422	107.5 (17)	C12A—C11A—H11A	120.0
C322—C321—C324	119.7 (13)	O3A—C12A—C11A	126.4 (18)
C422—C321—C324	121.0 (15)	O3A—C12A—C7A	113.5 (18)
C304—C303—C306	122.7 (8)	C7A—C12A—C11A	120.0
C302—C303—C306	119.3 (9)	C8A—C7A—C4A	121.2 (14)
C302—C303—C304	118.0 (9)	C12A—C7A—C8A	120.0
N304—C307—C309	118.4 (8)	C12A—C7A—C4A	118.8 (14)
N303—C307—N304	125.3 (8)	O3A—C15A—H15A	109.5
N303—C307—C309	116.3 (8)	O3A—C15A—H15B	109.5
C313—C309—C307	120.9 (9)	O3A—C15A—H15C	109.5
C313—C309—C310	119.9 (10)	H15A—C15A—H15B	109.5
C310—C309—C307	119.2 (10)	H15A—C15A—H15C	109.5
C303—C304—H304	120.2	H15B—C15A—H15C	109.5
C305—C304—C303	119.6 (9)	O2A—C14A—H14A	109.5
C305—C304—H304	120.2	O2A—C14A—H14B	109.5
N301—C305—C304	123.6 (10)	O2A—C14A—H14C	109.5
N301—C305—H305	118.2	H14A—C14A—H14B	109.5
C304—C305—H305	118.2	H14A—C14A—H14C	109.5
N312—C329—C328	122.4 (14)	H14B—C14A—H14C	109.5
N312—C329—H329	118.8	N307—C423—H423	118.3
C328—C329—H329	118.8	N307—C423—C422	123 (2)
N306—C314—H314	118.4	C422—C423—H423	118.3
N306—C314—C315	123.3 (11)	C321—C422—H422	121.0
C315—C314—H314	118.4	C423—C422—C321	118 (2)
N310—C326—C333	117.3 (10)	C423—C422—H422	121.0
N309—C326—N310	124.4 (11)	H13A—C13A—H13B	107.9
N309—C326—C333	118.2 (10)	C5A—C13A—H13A	109.2
C321—C320—H320	120.0	C5A—C13A—H13B	109.2
C321—C320—C319	120.1 (12)	O1A—C13A—H13A	109.2
C319—C320—H320	120.0	O1A—C13A—H13B	109.2
C316—C315—H315	121.0	O1A—C13A—C5A	112 (2)
C314—C315—C316	118.0 (10)	C5A—C4A—C7A	121.4 (13)
C314—C315—H315	121.0	C5A—C4A—C3A	120.0
N307—C319—C320	122.8 (14)	C3A—C4A—C7A	118.5 (14)
N307—C319—H319	118.6	C4A—C5A—C13A	118.4 (16)
C320—C319—H319	118.6	C4A—C5A—C6A	120.0
C316—C317—H317	121.4	C6A—C5A—C13A	121.6 (16)
C316—C317—C318	117.3 (10)	C5A—C6A—H6A	120.0
C318—C317—H317	121.4	C5A—C6A—C1A	120.0
N306—C318—C317	124.2 (10)	C1A—C6A—H6A	120.0
N306—C318—H318	117.9	C6A—C1A—H1A	120.0
C317—C318—H318	117.9	C2A—C1A—C6A	120.0
C309—C313—H313	121.0	C2A—C1A—H1A	120.0
C309—C313—C312	117.9 (12)	C1A—C2A—H2A	120.0
C312—C313—H313	121.0	C3A—C2A—C1A	120.0
C334—C333—C326	119.6 (13)	C3A—C2A—H2A	120.0
C332—C333—C326	121.0 (11)	C4A—C3A—H3A	120.0
C332—C333—C334	119.3 (14)	C2A—C3A—C4A	120.0
N305—C312—C313	120.9 (12)	C2A—C3A—H3A	120.0
N305—C312—H312	119.6	C13A—O1A—H1AA	109.5
Zn43—N307—C319—C320	−176.7 (10)	C326—N309—C324—N308	−2.2 (15)
Zn43—N307—C323—C322	−177 (2)	C326—N309—C324—C321	178.0 (9)
Zn43—N306—C314—C315	177.4 (12)	C326—C333—C334—C335	177.8 (14)
Zn43—N306—C318—C317	−178.8 (13)	C326—C333—C332—C331	−176.1 (15)
Zn41^iii—N312—C329—C328	−168.9 (8)	C320—C321—C322—C323	−12 (3)
Zn41^iii—N312—C330—C01C	170.6 (14)	C320—C321—C422—C423	34 (4)
Zn41—N301—C305—C304	−166.4 (12)	C315—C316—C317—C318	0 (2)
Zn41—N301—C301—C302	166 (2)	C319—N307—C323—C322	16 (3)
Zn32—N305—C312—C313	−179.9 (11)	C319—N307—C423—C422	−33 (4)
Zn32—N305—C311—C310	178.3 (15)	C317—C316—C315—C314	−1 (2)
Zn32^iv—N311—C335—C334	171.1 (15)	C318—N306—C314—C315	−2 (2)
Zn32^iv—N311—C331—C332	−170.2 (17)	C313—C309—C310—C311	2 (2)
N302—C306—C303—C304	1.8 (18)	C333—C334—C335—N311	−1 (3)
N302—C306—C303—C302	−178.2 (15)	C333—C334—C335—Zn52^iv	−49 (12)
N302—C308—C316—C315	1.3 (17)	C333—C332—C331—N311	−2 (3)
N302—C308—C316—C317	−178.1 (12)	C312—N305—C311—C310	−4 (3)
N308—C325—C327—C328	−5.7 (13)	C311—N305—C312—C313	2 (2)
N308—C325—C327—C01C	171.4 (12)	C310—C309—C313—C312	−3 (2)
N308—C324—C321—C320	−13.9 (15)	C01C—C327—C328—C329	1.8 (17)
N308—C324—C321—C322	149.7 (14)	C302—C303—C304—C305	−1 (2)
N308—C324—C321—C422	−158 (2)	C334—C333—C332—C331	1 (3)
N310—C325—C327—C328	172.9 (9)	C335—N311—C331—C332	2 (3)
N310—C325—C327—C01C	−10.1 (15)	C332—C333—C334—C335	1 (2)
N310—C326—C333—C334	22.0 (17)	C301—N301—C305—C304	−1 (3)
N310—C326—C333—C332	−160.9 (13)	C330—N312—C329—C328	2.7 (19)
N304—C308—C316—C315	−177.7 (12)	C331—N311—C335—C334	0 (3)
N304—C308—C316—C317	2.9 (19)	C331—N311—C335—Zn52^iv	169 (3)
N304—C307—C309—C313	7.8 (19)	C323—N307—C319—C320	−13 (2)
N304—C307—C309—C310	−174.4 (13)	C322—C321—C320—C319	15.2 (19)
N303—C306—C303—C304	176.0 (12)	Zn33—N307—C319—C320	−174.1 (10)
N303—C306—C303—C302	−4 (2)	Zn33—N307—C423—C422	178 (3)
N303—C307—C309—C313	−172.6 (12)	Zn33—N306—C314—C315	171.0 (12)
N303—C307—C309—C310	5.2 (18)	Zn33—N306—C318—C317	−173.0 (13)
N309—C324—C321—C320	166.0 (11)	Zn31^iii—N312—C329—C328	−169.8 (8)
N309—C324—C321—C322	−30.4 (18)	Zn31^iii—N312—C330—C01C	172.7 (15)
N309—C324—C321—C422	22 (2)	Zn31—N301—C305—C304	−175.8 (11)
N309—C326—C333—C334	−160.6 (12)	Zn31—N301—C301—C302	175 (2)
N309—C326—C333—C332	16.5 (19)	Zn42—N305—C312—C313	176.0 (12)
N307—C323—C322—C321	−4 (4)	Zn42—N305—C311—C310	−175.5 (14)
N307—C423—C422—C321	−2 (6)	Zn42^iv—N311—C335—C334	−175.9 (18)
N306—C314—C315—C316	3 (2)	Zn42^iv—N311—C331—C332	176.7 (16)
C325—N308—C324—N309	5.3 (14)	Zn52—N305—C312—C313	164.6 (18)
C325—N308—C324—C321	−174.9 (8)	Zn52—N305—C311—C310	−159 (2)
C325—N310—C326—N309	2.7 (15)	Zn52^iv—N311—C335—C334	−169 (3)
C325—N310—C326—C333	179.9 (9)	Zn52^iv—N311—C331—C332	164 (4)
C325—C327—C328—C329	178.7 (9)	Zn51^iii—N312—C329—C328	−165.4 (10)
C325—C327—C01C—C330	−177.2 (13)	Zn51^iii—N312—C330—C01C	165.3 (15)
C324—N308—C325—N310	−4.8 (14)	Zn51—N301—C305—C304	−164.5 (16)
C324—N308—C325—C327	173.6 (8)	Zn51—N301—C301—C302	168 (2)
C324—N309—C326—N310	−2.2 (16)	O2A—C8A—C9A—C10A	−179 (4)
C324—N309—C326—C333	−179.5 (10)	O2A—C8A—C7A—C12A	179 (4)
C324—C321—C320—C319	179.5 (11)	O2A—C8A—C7A—C4A	−1 (4)
C324—C321—C322—C323	−176.8 (18)	O3A—C12A—C7A—C8A	177 (3)
C324—C321—C422—C423	−176 (3)	O3A—C12A—C7A—C4A	−3 (3)
N305—C311—C310—C309	2 (3)	C8A—C9A—C10A—C11A	0.0
C306—N302—C308—N304	−6.2 (17)	C8A—C7A—C4A—C5A	70 (3)
C306—N302—C308—C316	174.9 (10)	C8A—C7A—C4A—C3A	−107 (2)
C306—N303—C307—N304	−5.2 (18)	C9A—C8A—C7A—C12A	0.0
C306—N303—C307—C309	175.2 (10)	C9A—C8A—C7A—C4A	−180 (3)
C306—C303—C304—C305	178.6 (12)	C9A—C10A—C11A—C12A	0.0
C306—C303—C302—C301	−179.7 (19)	C10A—C11A—C12A—O3A	−177 (4)
C308—N302—C306—N303	5.7 (17)	C10A—C11A—C12A—C7A	0.0
C308—N302—C306—C303	179.4 (10)	C11A—C12A—C7A—C8A	0.0
C308—N304—C307—N303	4.8 (18)	C11A—C12A—C7A—C4A	180 (3)
C308—N304—C307—C309	−175.6 (11)	C12A—C7A—C4A—C5A	−110 (3)
C308—C316—C315—C314	179.2 (13)	C12A—C7A—C4A—C3A	74 (3)
C308—C316—C317—C318	179.5 (13)	C7A—C8A—C9A—C10A	0.0
C327—C328—C329—N312	−3.2 (16)	C7A—C4A—C5A—C13A	5 (3)
C327—C01C—C330—N312	0 (3)	C7A—C4A—C5A—C6A	−177 (3)
C328—C327—C01C—C330	0 (2)	C7A—C4A—C3A—C2A	177 (3)
C316—C317—C318—N306	0 (3)	C15A—O3A—C12A—C11A	−10 (6)
C321—C320—C319—N307	−3 (2)	C15A—O3A—C12A—C7A	173 (4)
C303—C304—C305—N301	2 (2)	C14A—O2A—C8A—C9A	8 (6)
C303—C302—C301—N301	1 (4)	C14A—O2A—C8A—C7A	−171 (5)
C307—N304—C308—N302	1.3 (18)	C423—N307—C319—C320	36 (2)
C307—N304—C308—C316	−179.8 (11)	C422—C321—C320—C319	−32 (2)
C307—N303—C306—N302	−0.6 (18)	C13A—C5A—C6A—C1A	178 (2)
C307—N303—C306—C303	−174.3 (11)	C4A—C5A—C6A—C1A	0.0
C307—C309—C313—C312	175.0 (13)	C5A—C4A—C3A—C2A	0.0
C307—C309—C310—C311	−176.1 (15)	C5A—C6A—C1A—C2A	0.0
C309—C313—C312—N305	1 (2)	C6A—C1A—C2A—C3A	0.0
C304—C303—C302—C301	0 (3)	C1A—C2A—C3A—C4A	0.0
C305—N301—C301—C302	0 (4)	C3A—C4A—C5A—C13A	−178 (2)
C329—N312—C330—C01C	−1 (3)	C3A—C4A—C5A—C6A	0.0
C314—N306—C318—C317	1 (2)	O1A—C13A—C5A—C4A	172 (4)
C326—N310—C325—N308	1.1 (14)	O1A—C13A—C5A—C6A	−6 (5)
C326—N310—C325—C327	−177.2 (8)

Symmetry codes: (i) x−1/2, −y+3/2, z−1/2; (ii) x−1/2, y+1/2, z; (iii) x+1/2, −y+3/2, z+1/2; (iv) x+1/2, y−1/2, z.

catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc (4_10_96c)

Crystal data

C36H24I6N12Zn3	F(000) = 5856
Mr = 1582.18	Dx = 1.353 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.5442 (16) Å	Cell parameters from 7365 reflections
b = 15.0184 (3) Å	θ = 2.6–69.4°
c = 30.549 (2) Å	µ = 20.00 mm^−1
β = 101.346 (5)°	T = 100 K
V = 15539.0 (13) Å^3	Block, colourless
Z = 8	0.16 × 0.11 × 0.07 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	14144 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	9183 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.049
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −41→41
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −11→17
Tmin = 0.157, Tmax = 0.397	l = −36→36
51976 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.092	H-atom parameters constrained
wR(F^2) = 0.306	w = 1/[σ^2(Fo^2) + (0.1706P)^2 + 47.6676P] where P = (Fo^2 + 2Fc^2)/3
S = 1.11	(Δ/σ)max < 0.001
14144 reflections	Δρmax = 1.14 e Å^−3
631 parameters	Δρmin = −1.13 e Å^−3
18 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. No guests or solvent were identified from the electron density map, SQUEEZE has been applied to address the residual electron density within the pore. SQUEEZE analysis indicated one void with a volume of 923 Ang**3 and an electron count of 290. This is equivalent to 6.04 cyclohexane molecules or 2.23 BBA-8,12-OMe molecules.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I302	0.52284 (10)	−0.1481 (2)	0.63160 (15)	0.1258 (16)	0.5217
I301	0.61536 (12)	−0.2394 (3)	0.55546 (13)	0.0929 (8)	0.5217
I404	0.3905 (3)	0.7424 (5)	0.3997 (4)	0.191 (4)	0.2549
I403	0.3515 (2)	0.5843 (6)	0.5079 (4)	0.226 (6)	0.2549
I405	0.73113 (12)	0.2655 (2)	0.29072 (13)	0.1128 (10)	0.4049
I406	0.62542 (12)	0.34257 (15)	0.19354 (10)	0.1119 (10)	0.4049
Zn31	0.5793 (2)	−0.1218 (4)	0.59366 (15)	0.080 (2)	0.5217
Zn42	0.3728 (4)	0.5990 (7)	0.4344 (6)	0.193 (9)	0.2549
Zn43	0.67049 (19)	0.3599 (4)	0.2689 (2)	0.0868 (15)	0.4049
N303	0.5209 (3)	0.2715 (5)	0.4731 (3)	0.091 (3)
N302	0.5735 (3)	0.2245 (5)	0.4391 (3)	0.088 (2)
N308	0.6806 (2)	0.8180 (5)	0.2507 (3)	0.095 (3)
N301	0.5643 (3)	−0.0179 (6)	0.5477 (4)	0.095 (3)
N310	0.6208 (3)	1.0495 (5)	0.1404 (3)	0.103 (3)
N309	0.7187 (3)	0.9471 (5)	0.2743 (3)	0.100 (3)
N307	0.7339 (3)	0.8114 (5)	0.3120 (3)	0.098 (3)
N304	0.5382 (3)	0.3568 (5)	0.4147 (3)	0.089 (2)
N311	0.8297 (3)	1.0296 (5)	0.3983 (4)	0.114 (4)
C309	0.4840 (3)	0.4003 (5)	0.4471 (4)	0.086 (3)
N306	0.6878 (4)	0.4965 (6)	0.2782 (5)	0.130 (4)
C303	0.5520 (4)	0.1283 (7)	0.4943 (4)	0.089 (3)
C308	0.5664 (3)	0.2976 (6)	0.4135 (4)	0.085 (3)
C326	0.7405 (3)	0.8962 (6)	0.3069 (4)	0.087 (3)
C334	0.7701 (3)	0.9408 (6)	0.3391 (4)	0.093 (3)
C324	0.7057 (3)	0.7743 (5)	0.2823 (4)	0.098 (4)
C327	0.6652 (3)	0.9582 (6)	0.2107 (4)	0.086 (3)
C307	0.5169 (3)	0.3415 (6)	0.4447 (4)	0.087 (3)
C325	0.6913 (3)	0.9057 (5)	0.2462 (4)	0.097 (4)
C302	0.5283 (3)	0.1124 (6)	0.5235 (4)	0.084 (3)
H302	0.507892	0.153136	0.526263	0.101*
C301	0.5339 (3)	0.0367 (8)	0.5495 (4)	0.093 (3)
H301	0.516150	0.023121	0.568721	0.111*
N00W	0.6434 (4)	0.3411 (6)	0.3211 (5)	0.124 (4)
C321	0.6971 (3)	0.6772 (6)	0.2831 (4)	0.101 (4)
C306	0.5487 (4)	0.2131 (6)	0.4674 (5)	0.098 (4)
C316	0.5927 (3)	0.3096 (7)	0.3801 (4)	0.095 (3)
C311	0.4347 (3)	0.4640 (8)	0.4825 (5)	0.099 (3)
H311	0.424682	0.469435	0.509148	0.118*
C336	0.8076 (4)	1.0712 (7)	0.3637 (5)	0.119 (5)
H336	0.813177	1.132067	0.359168	0.143*
C310	0.4654 (4)	0.4040 (8)	0.4816 (5)	0.106 (4)
H310	0.473364	0.364770	0.506132	0.127*
C330	0.6490 (4)	1.0880 (6)	0.1691 (4)	0.104 (4)
H330	0.653370	1.149644	0.165036	0.125*
C333	0.7947 (4)	0.8980 (6)	0.3741 (5)	0.126 (6)
H333	0.792509	0.835392	0.377480	0.151*
C335	0.7780 (4)	1.0329 (6)	0.3350 (5)	0.120 (5)
H335	0.762402	1.067202	0.311895	0.144*
C331	0.6726 (3)	1.0465 (6)	0.2042 (4)	0.104 (4)
H331	0.693200	1.077478	0.223347	0.125*
C332	0.8224 (4)	0.9450 (8)	0.4043 (5)	0.124 (5)
H332	0.836554	0.915325	0.429980	0.149*
C319	0.6637 (5)	0.5461 (9)	0.2519 (8)	0.152 (7)
H319	0.642966	0.519317	0.231081	0.182*
C329	0.6144 (5)	0.9657 (8)	0.1466 (6)	0.169 (9)
H329	0.593063	0.937491	0.127142	0.203*
C323	0.7167 (4)	0.5293 (8)	0.3092 (7)	0.132 (5)
H323	0.732231	0.490850	0.330352	0.158*
C322	0.7239 (4)	0.6207 (6)	0.3105 (6)	0.128 (6)
H322	0.746650	0.644358	0.329598	0.154*
C320	0.6671 (4)	0.6371 (8)	0.2530 (5)	0.118 (4)
H320	0.648732	0.672543	0.233083	0.142*
C328	0.6371 (5)	0.9153 (8)	0.1800 (5)	0.148 (7)
H328	0.633385	0.852768	0.181580	0.178*
C305	0.5870 (4)	−0.0049 (8)	0.5211 (6)	0.121 (5)
H305	0.606989	−0.047265	0.519011	0.146*
C317	0.5829 (5)	0.3755 (12)	0.3494 (7)	0.145 (6)
H317	0.560749	0.413575	0.348284	0.173*
C304	0.5830 (4)	0.0777 (9)	0.4924 (6)	0.125 (5)
H304	0.601497	0.092337	0.474267	0.149*
C313	0.4691 (7)	0.4511 (14)	0.4101 (7)	0.179 (9)
H313	0.480184	0.450292	0.383990	0.215*
C315	0.6311 (5)	0.2673 (10)	0.3878 (7)	0.135 (6)
H315	0.641387	0.231446	0.412991	0.161*
C312	0.4346 (7)	0.5067 (14)	0.4135 (7)	0.175 (9)
H312	0.422947	0.540749	0.388152	0.210*
C314	0.6506 (6)	0.2854 (15)	0.3540 (6)	0.152 (7)
H314	0.673690	0.250741	0.354891	0.182*
I304	0.38560 (8)	0.73926 (13)	0.41475 (13)	0.215 (2)	0.7451
Zn32	0.37086 (10)	0.5934 (2)	0.44663 (13)	0.1331 (18)	0.7451
I303	0.34732 (8)	0.5757 (3)	0.52023 (10)	0.215 (2)	0.7451
N305	0.4194 (4)	0.5124 (7)	0.4484 (5)	0.120 (4)
I305	0.74880 (12)	0.28024 (18)	0.3164 (2)	0.210 (2)	0.5539
Zn33	0.6848 (2)	0.3553 (3)	0.2841 (3)	0.184 (4)	0.5539
I306	0.6469 (2)	0.3147 (3)	0.2073 (2)	0.274 (3)	0.5539
I505	0.7598 (6)	0.2988 (14)	0.3530 (6)	0.080*	0.0412
I506	0.6466 (5)	0.2869 (12)	0.2392 (6)	0.080*	0.0412
Zn53	0.6844 (13)	0.352 (3)	0.3112 (13)	0.080*	0.0412
C318	0.6096 (5)	0.3814 (12)	0.3190 (7)	0.139 (6)
H318	0.601684	0.419738	0.294109	0.167*
Zn41	0.5823 (3)	−0.1207 (5)	0.5932 (4)	0.124 (7)	0.2858
I402	0.5269 (2)	−0.1579 (4)	0.6301 (2)	0.201 (5)	0.2858
I401	0.6250 (4)	−0.2281 (6)	0.5585 (4)	0.173 (6)	0.2858
I501	0.6180 (9)	−0.2299 (12)	0.5720 (8)	0.266 (13)	0.1925
I502	0.5201 (4)	−0.1444 (5)	0.63446 (12)	0.113 (4)	0.1925
Zn51	0.5827 (7)	−0.1190 (10)	0.5964 (8)	0.226 (17)	0.1925

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I302	0.0989 (17)	0.0793 (19)	0.203 (4)	−0.0293 (12)	0.0383 (18)	−0.0098 (16)
I301	0.1063 (14)	0.0435 (11)	0.1150 (18)	0.0064 (8)	−0.0119 (15)	−0.0098 (10)
I404	0.194 (7)	0.050 (3)	0.339 (12)	−0.028 (3)	0.072 (7)	0.019 (4)
I403	0.111 (4)	0.141 (5)	0.457 (17)	−0.014 (4)	0.128 (8)	−0.056 (7)
I405	0.134 (3)	0.0424 (10)	0.158 (2)	0.0180 (12)	0.0193 (16)	0.0159 (10)
I406	0.177 (3)	0.0420 (9)	0.1023 (13)	−0.0129 (10)	−0.0076 (15)	−0.0083 (8)
Zn31	0.096 (4)	0.053 (3)	0.0680 (19)	−0.012 (2)	−0.043 (3)	0.0088 (19)
Zn42	0.107 (8)	0.052 (5)	0.44 (3)	0.011 (4)	0.114 (12)	−0.017 (8)
Zn43	0.111 (3)	0.037 (2)	0.106 (3)	−0.0095 (19)	0.006 (2)	0.0057 (18)
N303	0.090 (5)	0.051 (4)	0.110 (6)	0.008 (4)	−0.035 (4)	0.005 (4)
N302	0.084 (5)	0.062 (5)	0.103 (6)	−0.001 (4)	−0.022 (5)	0.013 (4)
N308	0.083 (5)	0.035 (3)	0.144 (7)	0.011 (3)	−0.032 (5)	−0.010 (4)
N301	0.072 (5)	0.081 (6)	0.124 (7)	0.004 (4)	−0.004 (5)	0.017 (5)
N310	0.106 (6)	0.046 (4)	0.127 (7)	0.019 (4)	−0.045 (5)	−0.011 (4)
N309	0.098 (6)	0.033 (3)	0.142 (8)	0.015 (3)	−0.043 (5)	−0.002 (4)
N307	0.109 (6)	0.044 (4)	0.122 (7)	0.023 (4)	−0.026 (5)	0.005 (4)
N304	0.092 (6)	0.055 (4)	0.104 (6)	−0.003 (4)	−0.018 (5)	0.007 (4)
N311	0.107 (6)	0.048 (4)	0.148 (8)	0.020 (4)	−0.066 (6)	−0.027 (5)
C309	0.095 (7)	0.032 (4)	0.114 (8)	−0.004 (4)	−0.021 (6)	−0.001 (4)
N306	0.147 (10)	0.039 (5)	0.203 (13)	−0.030 (6)	0.029 (9)	−0.005 (6)
C303	0.101 (7)	0.061 (5)	0.085 (6)	0.019 (5)	−0.032 (6)	−0.002 (5)
C308	0.083 (6)	0.042 (4)	0.115 (8)	−0.012 (4)	−0.019 (5)	0.005 (4)
C326	0.092 (6)	0.039 (4)	0.108 (7)	0.023 (4)	−0.029 (5)	−0.007 (4)
C334	0.081 (6)	0.049 (5)	0.132 (9)	0.019 (4)	−0.021 (6)	0.000 (5)
C324	0.101 (7)	0.028 (4)	0.143 (9)	0.011 (4)	−0.029 (6)	−0.006 (5)
C327	0.085 (6)	0.042 (4)	0.109 (7)	0.017 (4)	−0.034 (5)	−0.009 (4)
C307	0.087 (6)	0.045 (5)	0.110 (8)	0.007 (4)	−0.028 (6)	0.002 (5)
C325	0.102 (7)	0.029 (4)	0.136 (9)	0.014 (4)	−0.031 (6)	−0.005 (4)
C302	0.075 (6)	0.050 (5)	0.113 (8)	0.001 (4)	−0.017 (6)	−0.006 (5)
C301	0.087 (6)	0.085 (7)	0.086 (6)	−0.005 (5)	−0.030 (5)	0.009 (5)
N00W	0.162 (11)	0.042 (4)	0.181 (12)	−0.002 (5)	0.065 (9)	0.007 (6)
C321	0.104 (7)	0.032 (4)	0.144 (9)	0.005 (4)	−0.029 (7)	0.004 (5)
C306	0.097 (8)	0.045 (5)	0.130 (9)	−0.004 (5)	−0.031 (7)	0.001 (5)
C316	0.094 (7)	0.066 (6)	0.112 (8)	−0.007 (5)	−0.012 (6)	0.001 (6)
C311	0.080 (6)	0.081 (7)	0.121 (9)	0.005 (5)	−0.015 (6)	0.010 (6)
C336	0.108 (8)	0.043 (5)	0.176 (12)	0.004 (5)	−0.049 (8)	−0.007 (6)
C310	0.091 (7)	0.075 (7)	0.126 (10)	0.026 (5)	−0.038 (7)	0.007 (6)
C330	0.114 (8)	0.046 (5)	0.125 (9)	0.008 (5)	−0.044 (7)	−0.002 (5)
C333	0.139 (9)	0.030 (4)	0.161 (11)	0.015 (5)	−0.084 (8)	−0.014 (5)
C335	0.121 (9)	0.030 (4)	0.170 (11)	0.008 (4)	−0.064 (8)	−0.009 (5)
C331	0.104 (7)	0.043 (4)	0.133 (9)	0.007 (4)	−0.055 (7)	−0.003 (5)
C332	0.137 (10)	0.065 (6)	0.134 (10)	0.023 (6)	−0.063 (8)	−0.009 (6)
C319	0.135 (12)	0.048 (6)	0.25 (2)	0.003 (7)	−0.007 (12)	−0.003 (9)
C329	0.181 (14)	0.060 (7)	0.198 (15)	−0.008 (7)	−0.133 (13)	0.007 (8)
C323	0.108 (10)	0.061 (7)	0.222 (17)	0.035 (7)	0.024 (10)	0.009 (9)
C322	0.122 (9)	0.031 (4)	0.199 (14)	0.007 (5)	−0.048 (9)	0.022 (6)
C320	0.113 (9)	0.062 (6)	0.161 (12)	0.003 (6)	−0.017 (8)	−0.002 (7)
C328	0.174 (13)	0.052 (6)	0.164 (12)	−0.008 (7)	−0.099 (11)	0.005 (7)
C305	0.090 (8)	0.073 (7)	0.200 (15)	0.029 (6)	0.027 (9)	0.025 (8)
C317	0.105 (10)	0.119 (12)	0.211 (18)	0.004 (9)	0.033 (11)	0.029 (12)
C304	0.112 (9)	0.094 (9)	0.168 (13)	0.030 (7)	0.030 (9)	0.042 (9)
C313	0.207 (19)	0.154 (16)	0.184 (17)	0.114 (15)	0.057 (15)	0.092 (14)
C315	0.122 (11)	0.100 (10)	0.189 (17)	0.026 (8)	0.047 (12)	0.021 (10)
C312	0.193 (19)	0.165 (18)	0.149 (15)	0.120 (16)	−0.007 (13)	0.039 (13)
C314	0.150 (15)	0.175 (19)	0.132 (13)	0.034 (13)	0.030 (12)	0.034 (13)
I304	0.191 (2)	0.0490 (9)	0.316 (3)	0.0030 (10)	−0.164 (3)	−0.0193 (12)
Zn32	0.108 (2)	0.0679 (18)	0.177 (3)	0.0308 (15)	−0.087 (2)	−0.0474 (16)
I303	0.1244 (17)	0.297 (4)	0.1893 (19)	0.0583 (18)	−0.0518 (15)	−0.153 (2)
N305	0.112 (8)	0.068 (6)	0.154 (10)	0.020 (5)	−0.041 (7)	−0.001 (6)
I305	0.189 (4)	0.0581 (15)	0.427 (7)	0.0571 (19)	0.167 (4)	0.081 (3)
Zn33	0.218 (7)	0.0233 (15)	0.347 (13)	−0.005 (3)	0.146 (8)	−0.009 (4)
I306	0.389 (8)	0.134 (3)	0.364 (7)	−0.136 (4)	0.231 (6)	−0.118 (4)
C318	0.111 (10)	0.107 (11)	0.205 (18)	0.003 (9)	0.044 (11)	0.036 (11)
Zn41	0.096 (7)	0.036 (5)	0.245 (15)	−0.014 (4)	0.047 (7)	−0.032 (5)
I402	0.198 (6)	0.098 (3)	0.220 (7)	−0.067 (3)	−0.171 (5)	0.063 (4)
I401	0.234 (11)	0.045 (3)	0.173 (6)	0.031 (5)	−0.121 (6)	−0.007 (3)
I501	0.31 (2)	0.091 (8)	0.34 (2)	0.079 (10)	−0.078 (18)	−0.100 (11)
I502	0.202 (11)	0.097 (5)	0.0257 (13)	−0.070 (5)	−0.014 (3)	−0.007 (2)
Zn51	0.27 (2)	0.038 (7)	0.26 (2)	−0.019 (8)	−0.226 (19)	0.032 (8)

Geometric parameters (Å, º)

I302—Zn31	2.490 (7)	N00W—C314	1.30 (2)
I301—Zn31	2.569 (7)	N00W—Zn33	2.003 (14)
I404—Zn42	2.528 (12)	N00W—Zn53	1.51 (4)
I403—Zn42	2.508 (15)	N00W—C318	1.304 (19)
I405—Zn43	2.509 (7)	C321—C322	1.407 (14)
I406—Zn43	2.525 (6)	C321—C320	1.381 (17)
Zn31—N301	2.094 (10)	C316—C317	1.36 (2)
Zn31—N310^i	2.112 (10)	C316—C315	1.446 (19)
Zn42—N311^ii	1.967 (16)	C311—H311	0.9500
Zn42—N305	2.049 (15)	C311—C310	1.396 (17)
Zn43—N306	2.141 (10)	C311—N305	1.294 (16)
Zn43—N00W	2.022 (14)	C336—H336	0.9500
N303—C307	1.353 (14)	C336—C335	1.340 (15)
N303—C306	1.338 (16)	C310—H310	0.9500
N302—C308	1.341 (13)	C330—H330	0.9500
N302—C306	1.343 (17)	C330—C331	1.364 (14)
N308—C324	1.337 (13)	C333—H333	0.9500
N308—C325	1.381 (12)	C333—C332	1.385 (15)
N301—C301	1.342 (16)	C335—H335	0.9500
N301—C305	1.252 (18)	C331—H331	0.9500
N301—Zn41	2.089 (13)	C332—H332	0.9500
N301—Zn51	2.132 (18)	C319—H319	0.9500
N310—C330	1.309 (13)	C319—C320	1.372 (18)
N310—C329	1.298 (16)	C329—H329	0.9500
N310—Zn41^iii	2.058 (14)	C329—C328	1.384 (16)
N309—C326	1.359 (12)	C323—H323	0.9500
N309—C325	1.303 (12)	C323—C322	1.394 (17)
N307—C326	1.308 (13)	C322—H322	0.9500
N307—C324	1.317 (13)	C320—H320	0.9500
N304—C308	1.325 (14)	C328—H328	0.9500
N304—C307	1.305 (15)	C305—H305	0.9500
N311—C336	1.331 (15)	C305—C304	1.509 (19)
N311—C332	1.315 (16)	C317—H317	0.9500
N311—Zn32^iv	2.071 (8)	C317—C318	1.44 (2)
C309—C307	1.451 (16)	C304—H304	0.9500
C309—C310	1.338 (18)	C313—H313	0.9500
C309—C313	1.379 (18)	C313—C312	1.47 (2)
N306—C319	1.27 (2)	C315—H315	0.9500
N306—C323	1.33 (2)	C315—C314	1.36 (2)
N306—Zn33	2.133 (10)	C312—H312	0.9500
N306—Zn53	2.41 (5)	C312—N305	1.28 (2)
C303—C302	1.346 (17)	C314—H314	0.9500
C303—C306	1.507 (16)	I304—Zn32	2.490 (5)
C303—C304	1.324 (17)	Zn32—I303	2.551 (6)
C308—C316	1.507 (18)	Zn32—N305	2.064 (12)
C326—C334	1.437 (14)	I305—Zn33	2.504 (8)
C334—C333	1.387 (14)	Zn33—I306	2.527 (10)
C334—C335	1.421 (14)	I505—Zn53	2.78 (5)
C324—C321	1.489 (12)	I506—Zn53	2.52 (5)
C327—C325	1.493 (13)	C318—H318	0.9500
C327—C331	1.372 (14)	Zn41—I402	2.466 (11)
C327—C328	1.371 (14)	Zn41—I401	2.555 (12)
C302—H302	0.9500	I501—Zn51	2.28 (3)
C302—C301	1.378 (15)	I502—Zn51	2.68 (3)
C301—H301	0.9500
I302—Zn31—I301	126.6 (3)	N305—C311—C310	122.7 (15)
N301—Zn31—I302	108.4 (4)	N311—C336—H336	117.8
N301—Zn31—I301	106.7 (4)	N311—C336—C335	124.3 (10)
N301—Zn31—N310^i	96.7 (4)	C335—C336—H336	117.8
N310^i—Zn31—I302	104.8 (4)	C309—C310—C311	121.7 (12)
N310^i—Zn31—I301	109.7 (4)	C309—C310—H310	119.1
I403—Zn42—I404	126.1 (6)	C311—C310—H310	119.1
N311^ii—Zn42—I404	115.8 (8)	N310—C330—H330	117.4
N311^ii—Zn42—I403	97.6 (6)	N310—C330—C331	125.1 (9)
N311^ii—Zn42—N305	105.0 (6)	C331—C330—H330	117.4
N305—Zn42—I404	112.5 (7)	C334—C333—H333	119.5
N305—Zn42—I403	96.5 (8)	C332—C333—C334	121.1 (9)
I405—Zn43—I406	121.2 (3)	C332—C333—H333	119.5
N306—Zn43—I405	108.0 (5)	C334—C335—H335	120.2
N306—Zn43—I406	109.0 (5)	C336—C335—C334	119.7 (10)
N00W—Zn43—I405	101.8 (4)	C336—C335—H335	120.2
N00W—Zn43—I406	114.0 (6)	C327—C331—H331	121.4
N00W—Zn43—N306	100.9 (5)	C330—C331—C327	117.1 (9)
C306—N303—C307	114.3 (12)	C330—C331—H331	121.4
C308—N302—C306	114.4 (10)	N311—C332—C333	121.8 (10)
C324—N308—C325	113.1 (8)	N311—C332—H332	119.1
C301—N301—Zn31	121.4 (9)	C333—C332—H332	119.1
C301—N301—Zn41	123.9 (9)	N306—C319—H319	119.1
C301—N301—Zn51	122.4 (12)	N306—C319—C320	121.7 (15)
C305—N301—Zn31	116.5 (8)	C320—C319—H319	119.1
C305—N301—C301	121.8 (10)	N310—C329—H329	118.3
C305—N301—Zn41	113.9 (8)	N310—C329—C328	123.3 (10)
C305—N301—Zn51	115.1 (12)	C328—C329—H329	118.3
C330—N310—Zn31^iii	122.8 (7)	N306—C323—H323	120.3
C330—N310—Zn41^iii	122.2 (7)	N306—C323—C322	119.4 (13)
C329—N310—Zn31^iii	119.0 (7)	C322—C323—H323	120.3
C329—N310—C330	117.2 (9)	C321—C322—H322	120.5
C329—N310—Zn41^iii	120.0 (7)	C323—C322—C321	118.9 (12)
C325—N309—C326	116.1 (8)	C323—C322—H322	120.5
C326—N307—C324	116.9 (8)	C321—C320—H320	120.0
C307—N304—C308	114.8 (9)	C319—C320—C321	119.9 (13)
Zn42^iv—N311—Zn32^iv	11.1 (5)	C319—C320—H320	120.0
C336—N311—Zn42^iv	116.6 (8)	C327—C328—C329	118.0 (10)
C336—N311—Zn32^iv	123.7 (7)	C327—C328—H328	121.0
C332—N311—Zn42^iv	125.4 (8)	C329—C328—H328	121.0
C332—N311—C336	117.9 (9)	N301—C305—H305	119.7
C332—N311—Zn32^iv	118.1 (7)	N301—C305—C304	120.5 (11)
C310—C309—C307	124.5 (10)	C304—C305—H305	119.7
C310—C309—C313	117.6 (12)	C316—C317—H317	123.7
C313—C309—C307	117.8 (14)	C316—C317—C318	112.7 (15)
C319—N306—Zn43	110.3 (10)	C318—C317—H317	123.7
C319—N306—C323	122.5 (11)	C303—C304—C305	115.4 (14)
C319—N306—Zn33	126.7 (11)	C303—C304—H304	122.3
C319—N306—Zn53	135.3 (15)	C305—C304—H304	122.3
C323—N306—Zn43	126.9 (10)	C309—C313—H313	122.2
C323—N306—Zn33	110.5 (10)	C309—C313—C312	115.6 (17)
C323—N306—Zn53	97.3 (14)	C312—C313—H313	122.2
C302—C303—C306	121.4 (11)	C316—C315—H315	124.4
C304—C303—C302	121.9 (11)	C314—C315—C316	111.3 (16)
C304—C303—C306	115.9 (14)	C314—C315—H315	124.4
N302—C308—C316	115.2 (10)	C313—C312—H312	117.7
N304—C308—N302	125.9 (12)	N305—C312—C313	124.5 (15)
N304—C308—C316	118.9 (9)	N305—C312—H312	117.7
N309—C326—C334	117.2 (8)	N00W—C314—C315	132.0 (19)
N307—C326—N309	123.4 (9)	N00W—C314—H314	114.0
N307—C326—C334	119.3 (8)	C315—C314—H314	114.0
C333—C334—C326	123.9 (9)	N311^ii—Zn32—I304	107.0 (3)
C333—C334—C335	114.8 (9)	N311^ii—Zn32—I303	106.6 (4)
C335—C334—C326	121.1 (9)	I304—Zn32—I303	124.15 (19)
N308—C324—C321	112.9 (8)	N305—Zn32—N311^ii	100.8 (4)
N307—C324—N308	125.2 (8)	N305—Zn32—I304	107.5 (5)
N307—C324—C321	121.8 (9)	N305—Zn32—I303	108.3 (5)
C331—C327—C325	120.9 (8)	C311—N305—Zn42	134.9 (14)
C328—C327—C325	119.6 (9)	C311—N305—Zn32	123.7 (13)
C328—C327—C331	118.8 (9)	C312—N305—Zn42	107.6 (10)
N303—C307—C309	115.0 (12)	C312—N305—C311	117.5 (13)
N304—C307—N303	126.0 (10)	C312—N305—Zn32	118.8 (10)
N304—C307—C309	118.9 (10)	N306—Zn33—I305	115.3 (5)
N308—C325—C327	116.2 (8)	N306—Zn33—I306	100.7 (5)
N309—C325—N308	124.2 (9)	N00W—Zn33—N306	101.8 (5)
N309—C325—C327	118.9 (8)	N00W—Zn33—I305	113.8 (6)
C303—C302—H302	120.2	N00W—Zn33—I306	101.6 (5)
C303—C302—C301	119.6 (11)	I305—Zn33—I306	120.9 (3)
C301—C302—H302	120.2	N306—Zn53—I505	109.4 (17)
N301—C301—C302	120.2 (12)	N306—Zn53—I506	92.4 (14)
N301—C301—H301	119.9	N00W—Zn53—N306	108 (2)
C302—C301—H301	119.9	N00W—Zn53—I505	135 (2)
C314—N00W—Zn43	131.0 (13)	N00W—Zn53—I506	77.8 (19)
C314—N00W—Zn33	117.3 (13)	I506—Zn53—I505	124.6 (18)
C314—N00W—Zn53	100 (2)	N00W—C318—C317	128.5 (17)
C314—N00W—C318	111.7 (15)	N00W—C318—H318	115.8
C318—N00W—Zn43	116.5 (12)	C317—C318—H318	115.8
C318—N00W—Zn33	130.9 (12)	N301—Zn41—I402	108.4 (5)
C318—N00W—Zn53	144 (2)	N301—Zn41—I401	108.1 (6)
C322—C321—C324	119.3 (9)	N310^i—Zn41—N301	98.6 (5)
C320—C321—C324	122.9 (10)	N310^i—Zn41—I402	104.4 (6)
C320—C321—C322	117.0 (9)	N310^i—Zn41—I401	105.9 (6)
N303—C306—N302	124.5 (10)	I402—Zn41—I401	127.6 (5)
N303—C306—C303	117.5 (13)	N301—Zn51—I501	113.5 (14)
N302—C306—C303	118.0 (11)	N301—Zn51—I502	104.4 (10)
C317—C316—C308	116.8 (12)	N310^i—Zn51—N301	99.5 (8)
C317—C316—C315	121.9 (14)	N310^i—Zn51—I501	106.3 (13)
C315—C316—C308	119.7 (12)	N310^i—Zn51—I502	105.4 (12)
C310—C311—H311	118.7	I501—Zn51—I502	124.6 (11)
N305—C311—H311	118.7
Zn31—N301—C301—C302	170.0 (7)	C306—N303—C307—C309	173.6 (8)
Zn31—N301—C305—C304	−169.1 (12)	C306—N302—C308—N304	0.7 (14)
Zn31^iii—N310—C330—C331	169.4 (12)	C306—N302—C308—C316	−177.5 (8)
Zn31^iii—N310—C329—C328	−172.1 (18)	C306—C303—C302—C301	−175.9 (9)
Zn42^iv—N311—C336—C335	177.6 (14)	C306—C303—C304—C305	177.2 (12)
Zn42^iv—N311—C332—C333	−171.6 (13)	C316—C317—C318—N00W	−10 (3)
Zn43—N306—C319—C320	176.4 (16)	C316—C315—C314—N00W	11 (3)
Zn43—N306—C323—C322	−179.9 (12)	C336—N311—C332—C333	5 (2)
Zn43—N00W—C314—C315	−174.6 (18)	C310—C309—C307—N303	18.8 (14)
Zn43—N00W—C318—C317	175.5 (16)	C310—C309—C307—N304	−165.0 (10)
N302—C308—C316—C317	170.9 (13)	C310—C309—C313—C312	2 (3)
N302—C308—C316—C315	−23.4 (15)	C310—C311—N305—Zn42	174.5 (11)
N308—C324—C321—C322	171.7 (14)	C310—C311—N305—C312	−3 (2)
N308—C324—C321—C320	2 (2)	C310—C311—N305—Zn32	174.4 (9)
N301—C305—C304—C303	−7 (2)	C330—N310—C329—C328	−4 (3)
N310—C330—C331—C327	−2 (2)	C333—C334—C335—C336	0 (2)
N310—C329—C328—C327	7 (3)	C335—C334—C333—C332	5 (2)
N309—C326—C334—C333	−179.8 (14)	C331—C327—C325—N308	178.3 (12)
N309—C326—C334—C335	−4.4 (19)	C331—C327—C325—N309	7 (2)
N307—C326—C334—C333	5 (2)	C331—C327—C328—C329	−7 (3)
N307—C326—C334—C335	−179.6 (13)	C332—N311—C336—C335	1 (3)
N307—C324—C321—C322	−12 (2)	C319—N306—C323—C322	−7 (3)
N307—C324—C321—C320	178.3 (14)	C329—N310—C330—C331	1 (2)
N304—C308—C316—C317	−7.5 (16)	C323—N306—C319—C320	2 (3)
N304—C308—C316—C315	158.2 (12)	C322—C321—C320—C319	2 (3)
N311—C336—C335—C334	−4 (3)	C320—C321—C322—C323	−7 (2)
C309—C313—C312—N305	2 (4)	C328—C327—C325—N308	−11 (2)
N306—C319—C320—C321	0 (3)	C328—C327—C325—N309	177.8 (15)
N306—C323—C322—C321	9 (3)	C328—C327—C331—C330	5 (2)
C303—C302—C301—N301	4.3 (15)	C305—N301—C301—C302	−3.9 (18)
C308—N302—C306—N303	−4.9 (14)	C317—C316—C315—C314	−15 (2)
C308—N302—C306—C303	174.2 (8)	C304—C303—C302—C301	−6.5 (17)
C308—N304—C307—N303	−1.2 (14)	C304—C303—C306—N303	−171.2 (12)
C308—N304—C307—C309	−177.0 (8)	C304—C303—C306—N302	9.6 (16)
C308—C316—C317—C318	−179.7 (13)	C313—C309—C307—N303	−156.3 (15)
C308—C316—C315—C314	179.8 (14)	C313—C309—C307—N304	20.0 (18)
C326—N309—C325—N308	8 (2)	C313—C309—C310—C311	−7 (2)
C326—N309—C325—C327	177.6 (11)	C313—C312—N305—Zn42	180 (2)
C326—N307—C324—N308	−8 (2)	C313—C312—N305—C311	−2 (3)
C326—N307—C324—C321	176.4 (12)	C313—C312—N305—Zn32	−179.5 (19)
C326—C334—C333—C332	−179.4 (15)	C315—C316—C317—C318	15 (2)
C326—C334—C335—C336	−175.4 (14)	C314—N00W—Zn53—N306	−153.2 (17)
C334—C333—C332—N311	−8 (3)	C314—N00W—Zn53—I505	−9 (4)
C324—N308—C325—N309	−11.3 (19)	C314—N00W—Zn53—I506	118.2 (14)
C324—N308—C325—C327	178.4 (11)	C314—N00W—C318—C317	5 (3)
C324—N307—C326—N309	3.3 (19)	Zn32^iv—N311—C336—C335	−172.6 (13)
C324—N307—C326—C334	178.2 (12)	Zn32^iv—N311—C332—C333	178.6 (13)
C324—C321—C322—C323	−176.5 (15)	N305—C311—C310—C309	7.8 (19)
C324—C321—C320—C319	171.8 (16)	Zn33—N306—C319—C320	175.6 (14)
C307—N303—C306—N302	5.6 (14)	Zn33—N306—C323—C322	178.9 (13)
C307—N303—C306—C303	−173.5 (8)	Zn33—N00W—C314—C315	172 (2)
C307—N304—C308—N302	2.1 (14)	Zn33—N00W—C318—C317	−172.6 (14)
C307—N304—C308—C316	−179.7 (9)	Zn53—N306—C319—C320	152 (2)
C307—C309—C310—C311	178.0 (10)	Zn53—N306—C323—C322	−165.7 (17)
C307—C309—C313—C312	177.5 (17)	Zn53—N00W—C314—C315	157 (3)
C325—N308—C324—N307	12 (2)	Zn53—N00W—C318—C317	−145 (3)
C325—N308—C324—C321	−172.6 (12)	C318—N00W—C314—C315	−6 (3)
C325—N309—C326—N307	−3.2 (19)	C318—N00W—Zn53—N306	−2 (5)
C325—N309—C326—C334	−178.2 (12)	C318—N00W—Zn53—I505	142 (3)
C325—C327—C331—C330	175.5 (13)	C318—N00W—Zn53—I506	−90 (4)
C325—C327—C328—C329	−177.8 (17)	Zn41—N301—C301—C302	168.2 (8)
C302—C303—C306—N303	−1.2 (14)	Zn41—N301—C305—C304	−167.7 (13)
C302—C303—C306—N302	179.6 (9)	Zn41^iii—N310—C330—C331	172.3 (12)
C302—C303—C304—C305	7 (2)	Zn41^iii—N310—C329—C328	−174.8 (18)
C301—N301—C305—C304	5 (2)	Zn51—N301—C301—C302	165.9 (9)
C306—N303—C307—N304	−2.4 (14)	Zn51—N301—C305—C304	−165.5 (13)

Symmetry codes: (i) x, −y+1, z+1/2; (ii) x−1/2, y−1/2, z; (iii) x, −y+1, z−1/2; (iv) x+1/2, y+1/2, z.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (25_1_24a)

Crystal data

C108H72I18N36Zn9·0.715(C15H16O3)·0.61(C6H12)	F(000) = 18546
Mr = 4972.58	Dx = 1.374 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 78.142 (4) Å	Cell parameters from 12474 reflections
b = 14.9754 (2) Å	θ = 2.3–66.9°
c = 41.6691 (13) Å	µ = 19.43 mm^−1
β = 99.702 (4)°	T = 100 K
V = 48064 (3) Å^3	Block, light yellow
Z = 8	0.29 × 0.16 × 0.06 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	41978 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	28784 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.066
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.3°
profile data from ω–scans	h = −94→93
Absorption correction: analytical CrysAlisPro 1.171.41.89a (Rigaku Oxford Diffraction, 2020) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −12→17
Tmin = 0.080, Tmax = 0.389	l = −48→50
158843 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.140	H-atom parameters constrained
wR(F^2) = 0.374	w = 1/[σ^2(Fo^2) + (0.1165P)^2 + 2897.3889P] where P = (Fo^2 + 2Fc^2)/3
S = 1.06	(Δ/σ)max = 0.003
41978 reflections	Δρmax = 1.50 e Å^−3
2102 parameters	Δρmin = −1.37 e Å^−3
569 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I308	0.39758 (6)	0.9759 (3)	0.59056 (8)	0.0712 (11)	0.716 (16)
I312	0.41432 (8)	0.9979 (4)	0.24327 (14)	0.0594 (11)	0.5005
I315	0.54919 (9)	1.3899 (4)	0.21485 (16)	0.0953 (19)	0.71 (3)
I316	0.60210 (6)	1.4682 (4)	0.26664 (13)	0.0873 (16)	0.71 (3)
I307	0.39321 (6)	0.8930 (2)	0.48735 (7)	0.0886 (13)	0.716 (16)
I309	0.37987 (13)	0.0941 (6)	0.39851 (15)	0.123 (4)	0.4705
I310	0.43498 (15)	0.0037 (5)	0.43323 (14)	0.143 (5)	0.4705
I314	0.55936 (8)	0.5359 (2)	0.34074 (16)	0.0785 (10)	0.6224
I311	0.36481 (11)	0.8442 (7)	0.24351 (16)	0.082 (2)	0.5005
I313	0.55945 (5)	0.5334 (2)	0.44638 (7)	0.0728 (8)	0.6224
I306	0.24711 (12)	0.5212 (5)	0.3960 (2)	0.0970 (19)	0.5776
I318	0.58018 (8)	1.4930 (3)	0.55414 (13)	0.0982 (14)	0.59
I304	0.23039 (7)	1.4911 (3)	0.25059 (11)	0.0750 (14)	0.610 (18)
I303	0.22866 (10)	1.4153 (4)	0.14724 (11)	0.0923 (15)	0.610 (18)
I317	0.53285 (6)	1.3347 (5)	0.56628 (15)	0.107 (2)	0.59
I305	0.19763 (9)	0.6625 (7)	0.4050 (3)	0.0912 (18)	0.5776
I301	0.21740 (6)	0.6068 (3)	0.05814 (12)	0.0938 (10)	0.664 (3)
I302	0.27208 (9)	0.5188 (3)	0.09984 (10)	0.1043 (13)	0.664 (3)
Zn38	0.57892 (10)	1.3530 (5)	0.24597 (17)	0.0678 (16)	0.71 (3)
Zn39	0.56386 (8)	1.3476 (4)	0.55610 (16)	0.065 (2)	0.59
Zn36	0.39640 (11)	0.8554 (7)	0.2397 (3)	0.057 (3)	0.5005
Zn35	0.41074 (12)	0.1194 (5)	0.4245 (2)	0.069 (5)	0.4705
Zn33	0.22849 (9)	0.6606 (5)	0.39531 (18)	0.064 (3)	0.5776
Zn34	0.38437 (8)	0.8766 (4)	0.54196 (16)	0.0795 (12)	0.716 (16)
Zn37	0.54796 (10)	0.5942 (4)	0.39068 (13)	0.0566 (13)	0.6224
Zn32	0.21862 (14)	1.3953 (4)	0.20155 (17)	0.0624 (19)	0.610 (18)
Zn31	0.24795 (14)	0.6325 (7)	0.08630 (19)	0.0702 (18)	0.664 (3)
N332	0.6024 (2)	1.0219 (9)	0.6659 (3)	0.061 (4)
N321	0.4318 (3)	0.5137 (8)	0.3469 (3)	0.069 (5)
N315	0.3950 (3)	0.4279 (8)	0.6018 (3)	0.070 (5)
N327	0.5580 (2)	1.0570 (8)	0.3658 (3)	0.058 (4)
N328	0.5641 (2)	1.1882 (8)	0.3981 (3)	0.058 (4)
N336	0.5896 (3)	0.7425 (9)	0.7219 (4)	0.066 (4)
N326	0.5566 (2)	1.0557 (8)	0.4227 (3)	0.057 (4)
N320	0.4597 (3)	0.4630 (10)	0.3718 (4)	0.070 (5)
N302	0.2327 (2)	0.8069 (8)	0.2361 (3)	0.060 (4)
N303	0.2277 (2)	0.9323 (8)	0.2022 (3)	0.056 (4)
N319	0.4207 (3)	0.2225 (10)	0.4001 (4)	0.068 (4)
C398	0.6136 (3)	0.9643 (9)	0.6838 (3)	0.050 (4)
N331	0.5791 (3)	1.2638 (9)	0.5896 (3)	0.071 (5)
N334	0.6306 (2)	0.9723 (9)	0.6905 (3)	0.057 (4)
N329	0.5738 (3)	1.2857 (8)	0.2870 (3)	0.073 (5)
N330	0.5643 (3)	1.2806 (9)	0.5134 (3)	0.074 (5)
N325	0.5502 (3)	0.7330 (10)	0.3899 (4)	0.077 (5)
N313	0.3874 (3)	0.7402 (11)	0.5548 (5)	0.074 (5)
N309	0.2687 (3)	0.9760 (11)	0.5088 (4)	0.080 (5)
N316	0.4019 (3)	0.2893 (9)	0.5799 (4)	0.079 (6)
N305	0.2202 (2)	1.2601 (10)	0.2141 (5)	0.071 (4)
C396	0.6107 (3)	1.0891 (11)	0.6536 (4)	0.053 (4)
N333	0.6276 (3)	1.1019 (9)	0.6580 (4)	0.068 (5)
N322	0.4578 (3)	0.5955 (10)	0.3419 (4)	0.075 (5)
N304	0.2242 (2)	0.9431 (9)	0.2587 (4)	0.067 (4)
N301	0.2459 (3)	0.7031 (9)	0.1297 (4)	0.085 (6)
N314	0.3957 (3)	0.4162 (10)	0.5453 (4)	0.080 (6)
N323	0.4093 (3)	0.7666 (11)	0.2733 (5)	0.083 (5)
C363	0.4293 (3)	0.6477 (10)	0.3149 (4)	0.062 (5)
N307	0.2426 (3)	0.7468 (10)	0.4287 (4)	0.071 (5)
N312	0.3584 (3)	0.8943 (11)	0.5376 (5)	0.091 (6)
C378	0.5557 (3)	1.0178 (10)	0.3935 (4)	0.059 (5)
N308	0.2934 (3)	0.8899 (11)	0.4987 (4)	0.077 (5)
C357	0.4352 (4)	0.3747 (12)	0.3750 (5)	0.073 (6)
N318	0.4097 (3)	0.1873 (9)	0.4678 (4)	0.085 (6)
N311	0.2604 (4)	1.2618 (12)	0.5642 (5)	0.090 (7)
C406	0.6053 (3)	0.8846 (11)	0.6954 (3)	0.057 (5)
C339	0.3914 (3)	0.5593 (10)	0.5666 (4)	0.063 (5)
C405	0.5887 (3)	0.8612 (11)	0.6854 (5)	0.066 (5)
H405	0.582009	0.895156	0.668537	0.079*
C360	0.4429 (3)	0.4555 (11)	0.3649 (4)	0.066 (5)
C344	0.4002 (3)	0.3300 (10)	0.5517 (5)	0.064 (5)
N306	0.2293 (3)	0.7250 (10)	0.3520 (4)	0.074 (5)
C306	0.2321 (3)	0.8464 (9)	0.2092 (4)	0.059 (5)
C385	0.5721 (4)	1.2792 (12)	0.3432 (4)	0.087 (8)
H385	0.573256	1.309133	0.363603	0.104*
N317	0.3988 (3)	0.2132 (10)	0.6965 (4)	0.079 (5)
C390	0.5688 (3)	1.3172 (12)	0.4874 (4)	0.070 (6)
H390	0.572882	1.377095	0.489242	0.084*
C361	0.4401 (3)	0.5838 (10)	0.3353 (4)	0.064 (5)
N310	0.2972 (3)	1.0198 (9)	0.5310 (4)	0.074 (5)
N335	0.6921 (3)	1.0850 (11)	0.6978 (5)	0.086 (5)
C342	0.3938 (3)	0.4612 (11)	0.5720 (5)	0.071 (6)
C375	0.5533 (3)	0.9181 (10)	0.3915 (4)	0.058 (5)
C404	0.5808 (3)	0.7913 (10)	0.6982 (4)	0.065 (5)
H404	0.568959	0.777714	0.689997	0.078*
C303	0.2370 (3)	0.7962 (10)	0.1822 (4)	0.061 (5)
C308	0.2284 (3)	0.8573 (12)	0.2609 (4)	0.065 (5)
C324	0.2759 (3)	0.9086 (13)	0.4942 (4)	0.069 (6)
C388	0.5613 (3)	1.1899 (9)	0.4548 (4)	0.063 (5)
N324	0.5213 (3)	0.5753 (9)	0.3814 (5)	0.076 (5)
C325	0.2803 (3)	1.0302 (12)	0.5262 (5)	0.066 (5)
C395	0.5726 (3)	1.2218 (12)	0.6122 (5)	0.074 (6)
H395	0.560715	1.230250	0.613838	0.089*
C384	0.5761 (4)	1.3236 (12)	0.3169 (5)	0.078 (7)
H384	0.580635	1.382501	0.319663	0.094*
C307	0.2242 (3)	0.9770 (11)	0.2284 (4)	0.067 (6)
C347	0.3959 (4)	0.2995 (12)	0.6921 (4)	0.085 (8)
H347	0.393698	0.333434	0.710281	0.102*
C394	0.5828 (3)	1.1643 (11)	0.6342 (4)	0.066 (6)
H394	0.577895	1.133522	0.650378	0.080*
C381	0.5664 (3)	1.1930 (9)	0.3411 (4)	0.059 (5)
C373	0.5480 (3)	0.7804 (10)	0.3637 (4)	0.071 (6)
H373	0.544801	0.749495	0.343715	0.086*
C316	0.2280 (3)	0.8120 (11)	0.2927 (5)	0.069 (6)
C349	0.4028 (3)	0.2061 (11)	0.6411 (5)	0.073 (6)
H349	0.405138	0.170079	0.623589	0.088*
C304	0.2415 (4)	0.7070 (12)	0.1851 (6)	0.083 (7)
H304	0.241509	0.676113	0.205005	0.100*
C340	0.3886 (3)	0.5928 (11)	0.5361 (6)	0.083 (7)
H340	0.388262	0.552893	0.518244	0.100*
C348	0.4030 (3)	0.1695 (13)	0.6703 (5)	0.077 (6)
H348	0.406179	0.108431	0.672921	0.093*
C352	0.4037 (3)	0.2793 (11)	0.5217 (4)	0.075 (7)
C355	0.4112 (3)	0.2833 (11)	0.3819 (5)	0.074 (6)
H355	0.398976	0.275201	0.377441	0.089*
C393	0.5994 (3)	1.1533 (10)	0.6322 (4)	0.061 (5)
C365	0.4023 (4)	0.6995 (12)	0.2861 (4)	0.087 (8)
H365	0.390117	0.691420	0.281026	0.104*
C380	0.5610 (3)	1.1425 (9)	0.4233 (4)	0.061 (5)
C309	0.2226 (3)	1.0755 (11)	0.2239 (4)	0.068 (6)
C317	0.2234 (3)	0.8563 (12)	0.3190 (4)	0.077 (7)
H317	0.219955	0.917159	0.317231	0.092*
O3A	0.4586 (3)	0.9277 (12)	0.3088 (5)	0.079 (5)	0.7152
C345	0.3991 (3)	0.2993 (11)	0.6359 (4)	0.075 (7)
C321	0.2646 (3)	0.8513 (12)	0.4721 (5)	0.066 (5)
C356	0.4182 (4)	0.3586 (13)	0.3687 (4)	0.074 (6)
H356	0.410678	0.398480	0.355286	0.089*
C379	0.5622 (3)	1.1457 (10)	0.3693 (4)	0.063 (5)
C327	0.2737 (4)	1.1122 (14)	0.5378 (6)	0.088 (8)
C305	0.2461 (3)	0.6629 (13)	0.1582 (5)	0.075 (6)
H305	0.249555	0.601996	0.160339	0.090*
C354	0.4085 (3)	0.1434 (12)	0.4948 (4)	0.074 (6)
H354	0.409454	0.080175	0.494875	0.088*
C376	0.5547 (3)	0.8687 (10)	0.4194 (4)	0.068 (6)
H376	0.556597	0.897160	0.440071	0.082*
C328	0.2575 (4)	1.1389 (13)	0.5298 (4)	0.082 (7)
H328	0.250081	1.104402	0.514087	0.098*
O1A	0.5051 (2)	0.7555 (12)	0.2999 (5)	0.076 (6)	0.7152
H1A	0.506291	0.737632	0.319232	0.114*	0.7152
C302	0.2377 (4)	0.8376 (11)	0.1531 (4)	0.090 (9)
H302	0.235103	0.899500	0.150606	0.109*
C341	0.3861 (4)	0.6854 (11)	0.5296 (5)	0.093 (9)
H341	0.383566	0.707197	0.507906	0.111*
O2A	0.4773 (3)	0.9686 (11)	0.2086 (5)	0.088 (6)	0.7152
C366	0.4261 (4)	0.7810 (12)	0.2841 (6)	0.084 (7)
H366	0.431063	0.833826	0.276951	0.101*
C370	0.4858 (3)	0.5492 (13)	0.3681 (5)	0.072 (5)
C362	0.4662 (4)	0.5333 (13)	0.3592 (5)	0.078 (6)
C314	0.2331 (4)	0.6837 (14)	0.3268 (5)	0.086 (7)
H314	0.236246	0.622420	0.329275	0.103*
C326	0.3028 (3)	0.9475 (14)	0.5174 (5)	0.074 (6)
C320	0.2475 (3)	0.8490 (14)	0.4710 (5)	0.077 (6)
H320	0.242608	0.885986	0.485680	0.093*
C319	0.2365 (3)	0.7959 (14)	0.4500 (6)	0.087 (7)
H319	0.224446	0.795017	0.450967	0.104*
C334	0.3221 (4)	0.9292 (14)	0.5251 (6)	0.084 (7)
C399	0.6566 (3)	1.0565 (13)	0.6844 (5)	0.073 (5)
C346	0.3957 (4)	0.3437 (13)	0.6633 (5)	0.088 (8)
H346	0.393266	0.405817	0.662011	0.106*
C374	0.5500 (3)	0.8729 (11)	0.3620 (5)	0.072 (6)
H374	0.549176	0.903283	0.341815	0.086*
C367	0.4370 (3)	0.7247 (12)	0.3049 (6)	0.076 (6)
H367	0.448908	0.737902	0.311845	0.092*
C377	0.5535 (3)	0.7783 (12)	0.4173 (5)	0.084 (7)
H377	0.555063	0.745345	0.437046	0.100*
C337	0.3897 (3)	0.7106 (12)	0.5847 (6)	0.079 (6)
H337	0.390094	0.752004	0.602027	0.095*
C397	0.6370 (3)	1.0442 (12)	0.6774 (4)	0.064 (5)
C389	0.5681 (3)	1.2765 (12)	0.4580 (4)	0.075 (7)
H389	0.572032	1.305771	0.440359	0.090*
C343	0.3987 (3)	0.3429 (11)	0.6044 (4)	0.074 (6)
C312	0.2211 (3)	1.2255 (13)	0.2435 (6)	0.081 (6)
H312	0.221479	1.265308	0.261308	0.098*
C351	0.4048 (5)	0.3239 (10)	0.4934 (5)	0.113 (12)
H351	0.403653	0.387033	0.492025	0.136*
C383	0.5683 (4)	1.1996 (13)	0.2852 (5)	0.090 (8)
H383	0.566875	1.170106	0.264760	0.108*
C353	0.4059 (4)	0.1872 (12)	0.5238 (5)	0.090 (8)
H353	0.405559	0.155418	0.543442	0.108*
C364	0.4122 (4)	0.6389 (13)	0.3069 (4)	0.076 (7)
H364	0.406575	0.590452	0.315540	0.091*
C315	0.2330 (4)	0.7217 (13)	0.2972 (5)	0.082 (7)
H315	0.236328	0.688205	0.279825	0.099*
C311	0.2207 (4)	1.2040 (13)	0.1904 (6)	0.102 (10)
H311	0.220351	1.228654	0.169269	0.122*
C318	0.2241 (4)	0.8121 (12)	0.3474 (5)	0.091 (8)
H318	0.220672	0.843128	0.365180	0.109*
C3A	0.4517 (3)	0.8263 (11)	0.2278 (5)	0.060 (6)	0.7152
H3A	0.444398	0.870073	0.216064	0.071*	0.7152
C301	0.2421 (5)	0.7885 (13)	0.1270 (5)	0.119 (12)
H301	0.242446	0.817863	0.106916	0.143*
C338	0.3917 (4)	0.6201 (12)	0.5918 (5)	0.094 (9)
H338	0.393272	0.600184	0.613706	0.113*
C382	0.5646 (4)	1.1536 (11)	0.3114 (5)	0.082 (7)
H382	0.560749	1.093402	0.308904	0.098*
C310	0.2217 (4)	1.1122 (12)	0.1930 (5)	0.090 (8)
H310	0.221698	1.075452	0.174389	0.107*
C408	0.6064 (4)	0.7600 (13)	0.7319 (5)	0.085 (7)
H408	0.612759	0.723425	0.748281	0.102*
C350	0.4076 (5)	0.2751 (13)	0.4677 (4)	0.119 (12)
H350	0.408044	0.305933	0.447918	0.142*
C407	0.6148 (3)	0.8292 (14)	0.7193 (5)	0.078 (6)
H407	0.626801	0.839323	0.726557	0.093*
C387	0.5566 (4)	1.1498 (11)	0.4806 (4)	0.082 (8)
H387	0.552574	1.089915	0.479108	0.099*
C329	0.2502 (4)	1.2129 (13)	0.5424 (5)	0.093 (8)
H329	0.238338	1.227962	0.535619	0.111*
C386	0.5577 (4)	1.1973 (12)	0.5100 (5)	0.090 (9)
H386	0.553716	1.169967	0.527880	0.108*
C372	0.5120 (5)	0.6123 (15)	0.3567 (7)	0.106 (9)
H372	0.517722	0.649381	0.343290	0.127*
C2A	0.4485 (3)	0.7362 (12)	0.2209 (6)	0.073 (7)	0.7152
H2A	0.439025	0.718185	0.204900	0.088*	0.7152
C369	0.4954 (4)	0.5115 (16)	0.3944 (7)	0.102 (9)
H369	0.489984	0.475105	0.408545	0.123*
C4A	0.4655 (3)	0.8534 (11)	0.2514 (5)	0.058 (6)	0.7152
C313	0.2217 (3)	1.1340 (13)	0.2500 (6)	0.082 (6)
H313	0.221466	1.111941	0.271277	0.099*
C403	0.6669 (4)	1.0138 (16)	0.7085 (7)	0.100 (7)
H403	0.661979	0.972212	0.721598	0.120*
C391	0.5954 (5)	1.248 (2)	0.5853 (8)	0.122 (11)
H391	0.599618	1.272449	0.567078	0.146*
C359	0.4371 (5)	0.2371 (15)	0.4045 (6)	0.101 (9)
H359	0.444366	0.194376	0.416928	0.122*
C392	0.6061 (4)	1.1963 (16)	0.6076 (6)	0.106 (9)
H392	0.618078	1.190133	0.606100	0.127*
C358	0.4450 (4)	0.3101 (14)	0.3928 (7)	0.094 (8)
H358	0.457313	0.315499	0.397087	0.113*
C335	0.3339 (5)	0.973 (2)	0.5482 (7)	0.127 (12)
H335	0.329908	1.020200	0.560389	0.152*
C6A	0.4734 (3)	0.7000 (12)	0.2618 (6)	0.082 (8)	0.7152
H6A	0.480503	0.655900	0.273745	0.099*	0.7152
C1A	0.4596 (3)	0.6736 (13)	0.2380 (5)	0.076 (7)	0.7152
H1AA	0.457678	0.611830	0.233465	0.092*	0.7152
C330	0.2769 (5)	1.2394 (19)	0.5746 (9)	0.128 (13)
H330	0.283848	1.273866	0.590973	0.154*
C402	0.6841 (4)	1.0296 (19)	0.7143 (8)	0.117 (8)
H402	0.690936	0.997881	0.731645	0.140*
C401	0.6824 (4)	1.129 (2)	0.6745 (8)	0.122 (9)
H401	0.687831	1.169959	0.661992	0.146*
C371	0.4940 (4)	0.6015 (18)	0.3481 (6)	0.101 (8)
H371	0.487702	0.629187	0.329255	0.121*
C368	0.5136 (4)	0.5263 (16)	0.4012 (7)	0.099 (8)
H368	0.520371	0.500634	0.420036	0.119*
C12A	0.4641 (3)	0.9869 (12)	0.2877 (5)	0.070 (7)	0.7152
C333	0.3307 (5)	0.863 (2)	0.5082 (8)	0.134 (13)
H333	0.323997	0.824845	0.492567	0.160*
C336	0.3507 (4)	0.953 (2)	0.5541 (7)	0.123 (12)
H336	0.357678	0.982238	0.571749	0.147*
C400	0.6645 (4)	1.1177 (19)	0.6672 (7)	0.115 (8)
H400	0.657806	1.152122	0.650471	0.138*
C331	0.2841 (5)	1.1646 (19)	0.5612 (8)	0.130 (13)
H331	0.295937	1.149735	0.568098	0.156*
C11A	0.4658 (3)	1.0791 (12)	0.2935 (6)	0.082 (8)	0.7152
H11A	0.463138	1.103631	0.313047	0.098*	0.7152
C5A	0.4769 (3)	0.7900 (11)	0.2682 (6)	0.069 (6)	0.7152
C332	0.3488 (4)	0.853 (2)	0.5149 (9)	0.131 (13)
H332	0.354116	0.814275	0.501568	0.158*
C323	0.2596 (5)	0.750 (2)	0.4278 (8)	0.144 (15)
H323	0.263818	0.718096	0.411056	0.173*
C14A	0.4847 (4)	1.025 (2)	0.1870 (9)	0.096 (11)	0.7152
H14A	0.488086	0.988642	0.169508	0.144*	0.7152
H14B	0.494940	1.055059	0.198964	0.144*	0.7152
H14C	0.476105	1.069408	0.177639	0.144*	0.7152
C7A	0.4680 (3)	0.9509 (12)	0.2588 (4)	0.063 (6)	0.7152
C9A	0.4755 (4)	1.0998 (13)	0.2419 (6)	0.090 (9)	0.7152
H9A	0.479653	1.137551	0.226564	0.108*	0.7152
C8A	0.4736 (3)	1.0081 (11)	0.2362 (5)	0.075 (7)	0.7152
C322	0.2712 (4)	0.797 (2)	0.4499 (7)	0.126 (12)
H322	0.283335	0.792848	0.449971	0.151*
C13A	0.4914 (3)	0.8187 (16)	0.2941 (7)	0.085 (9)	0.7152
H13A	0.496034	0.876314	0.287771	0.101*	0.7152
H13B	0.486796	0.828382	0.314608	0.101*	0.7152
I416	0.6000 (2)	1.4860 (10)	0.2624 (3)	0.190 (12)	0.29 (3)
Zn48	0.5769 (3)	1.3673 (13)	0.2481 (4)	0.0678 (16)	0.29 (3)
I415	0.5465 (2)	1.3879 (12)	0.2186 (5)	0.111 (6)	0.29 (3)
I412	0.41026 (16)	0.9925 (6)	0.23515 (18)	0.106 (3)	0.4453
Zn46	0.39479 (18)	0.8436 (9)	0.2373 (4)	0.092 (6)	0.4453
I411	0.36345 (14)	0.8309 (9)	0.2439 (3)	0.118 (4)	0.4453
I418	0.5811 (2)	1.4837 (6)	0.5569 (3)	0.259 (8)	0.41
Zn49	0.56332 (17)	1.3435 (7)	0.5569 (2)	0.134 (6)	0.41
I417	0.53254 (15)	1.3401 (10)	0.56689 (19)	0.213 (7)	0.41
I406	0.2413 (2)	0.5158 (7)	0.3955 (2)	0.135 (6)	0.3928
Zn43	0.2263 (2)	0.6669 (7)	0.3957 (2)	0.108 (9)	0.3928
I405	0.19570 (18)	0.6915 (10)	0.4045 (5)	0.127 (6)	0.3928
I410	0.43295 (8)	−0.0003 (4)	0.43301 (19)	0.092 (2)	0.4838
Zn45	0.40993 (14)	0.1222 (5)	0.42375 (15)	0.091 (7)	0.4838
I409	0.37828 (7)	0.1063 (6)	0.39911 (18)	0.081 (2)	0.4838
I404	0.2289 (2)	1.4782 (9)	0.2650 (8)	0.204 (8)	0.390 (18)
Zn42	0.2175 (3)	1.3994 (8)	0.2116 (6)	0.143 (9)	0.390 (18)
I403	0.22904 (17)	1.4298 (10)	0.1595 (7)	0.178 (6)	0.390 (18)
I401	0.2273 (4)	0.5806 (12)	0.0612 (3)	0.257 (16)	0.251 (3)
Zn41	0.2557 (3)	0.6315 (14)	0.0937 (5)	0.133 (16)	0.251 (3)
I402	0.2819 (3)	0.5394 (9)	0.1174 (6)	0.251 (15)	0.251 (3)
I512	0.3957 (4)	0.011 (2)	0.7309 (8)	0.080*	0.0542
Zn56	0.3813 (9)	0.160 (5)	0.7319 (17)	0.080*	0.0542
I511	0.3509 (5)	0.193 (2)	0.7407 (7)	0.080*	0.0542
I407	0.39429 (17)	0.9036 (11)	0.4941 (6)	0.198 (10)	0.284 (16)
I408	0.3962 (3)	0.9666 (10)	0.5992 (7)	0.198 (9)	0.284 (16)
Zn44	0.38434 (19)	0.8786 (9)	0.5474 (5)	0.0795 (12)	0.284 (16)
I502	0.2915 (5)	0.568 (3)	0.1415 (9)	0.080*	0.049 (3)
I501	0.2438 (5)	0.532 (2)	0.0725 (9)	0.080*	0.049 (3)
Zn51	0.2666 (11)	0.626 (7)	0.105 (2)	0.080*	0.049 (3)
I20	0.2274 (8)	0.509 (4)	0.3957 (16)	0.080*	0.0296
Zn26	0.2137 (17)	0.645 (8)	0.398 (3)	0.080*	0.0296
I36	0.1810 (8)	0.695 (4)	0.4046 (13)	0.080*	0.0296
I509	0.3890 (6)	0.113 (3)	0.3929 (10)	0.080*	0.0457
I510	0.4447 (5)	0.027 (2)	0.4492 (10)	0.080*	0.0457
Zn55	0.4217 (11)	0.122 (5)	0.417 (2)	0.080*	0.0457
C10A	0.4714 (4)	1.1345 (15)	0.2706 (6)	0.091 (9)	0.7152
H10A	0.472378	1.196925	0.274570	0.109*	0.7152
I413	0.5613 (2)	0.5230 (8)	0.4297 (5)	0.300 (14)	0.3159
Zn47	0.5474 (2)	0.5997 (9)	0.3777 (4)	0.182 (13)	0.3159
I414	0.5596 (2)	0.5667 (11)	0.3265 (5)	0.378 (17)	0.3159
I513	0.5591 (4)	0.549 (2)	0.4608 (8)	0.080*	0.0618
I514	0.5578 (9)	0.544 (4)	0.3432 (16)	0.080*	0.0618
Zn57	0.5482 (15)	0.589 (7)	0.3990 (10)	0.080*	0.0618
I601	0.2040 (6)	0.589 (3)	0.0627 (11)	0.080*	0.036 (2)
C15A	0.4536 (5)	0.964 (3)	0.3374 (9)	0.109 (13)	0.7152
H15A	0.443044	0.999719	0.331421	0.163*	0.7152
H15B	0.462959	1.002087	0.348633	0.163*	0.7152
H15C	0.451400	0.915399	0.351898	0.163*	0.7152
I602	0.2590 (7)	0.510 (3)	0.1003 (12)	0.080*	0.036 (2)
Zn61	0.2356 (14)	0.632 (6)	0.088 (2)	0.080*	0.036 (2)
C808	0.3134 (7)	0.150 (4)	0.7185 (10)	0.079 (14)	0.2617
H80A	0.324058	0.176578	0.731281	0.094*	0.2617
H80B	0.305373	0.135781	0.733704	0.094*	0.2617
C807	0.3048 (8)	0.219 (3)	0.6935 (14)	0.085 (14)	0.2617
H80C	0.301111	0.271646	0.705072	0.102*	0.2617
H80D	0.313395	0.239918	0.680110	0.102*	0.2617
C812	0.2890 (7)	0.179 (4)	0.6711 (14)	0.094 (15)	0.2617
H81A	0.279805	0.166542	0.684161	0.113*	0.2617
H81B	0.284394	0.223752	0.654298	0.113*	0.2617
C811	0.2935 (8)	0.093 (4)	0.6544 (11)	0.099 (16)	0.2617
H81C	0.301200	0.107522	0.638585	0.119*	0.2617
H81D	0.282713	0.066548	0.642309	0.119*	0.2617
C810	0.3025 (8)	0.025 (3)	0.6791 (14)	0.090 (15)	0.2617
H81E	0.294071	0.001625	0.692263	0.108*	0.2617
H81F	0.306504	−0.026486	0.667123	0.108*	0.2617
C809	0.3181 (6)	0.064 (4)	0.7018 (12)	0.075 (14)	0.2617
H80E	0.327463	0.077761	0.689118	0.090*	0.2617
H80F	0.322673	0.019964	0.718676	0.090*	0.2617
C806	0.4735 (6)	0.690 (3)	0.6187 (13)	0.119 (17)	0.3484
H80G	0.460707	0.689747	0.612221	0.143*	0.3484
H80H	0.477477	0.627020	0.620748	0.143*	0.3484
C805	0.4785 (6)	0.737 (4)	0.6517 (12)	0.125 (17)	0.3484
H80I	0.473638	0.703854	0.668576	0.150*	0.3484
H80J	0.473285	0.797978	0.650230	0.150*	0.3484
C804	0.4983 (7)	0.745 (4)	0.6617 (11)	0.132 (18)	0.3484
H80K	0.501027	0.778700	0.682383	0.158*	0.3484
H80L	0.503374	0.684599	0.665341	0.158*	0.3484
C803	0.5064 (6)	0.793 (3)	0.6352 (14)	0.126 (18)	0.3484
H80M	0.519156	0.795182	0.641688	0.152*	0.3484
H80N	0.501994	0.854981	0.632668	0.152*	0.3484
C802	0.5017 (6)	0.743 (4)	0.6026 (12)	0.122 (17)	0.3484
H80O	0.506649	0.681898	0.604886	0.147*	0.3484
H80P	0.506780	0.774441	0.585608	0.147*	0.3484
C801	0.4818 (6)	0.737 (3)	0.5923 (11)	0.116 (17)	0.3484
H80Q	0.476939	0.798011	0.588726	0.139*	0.3484
H80R	0.479027	0.703759	0.571583	0.139*	0.3484

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I308	0.092 (2)	0.0401 (14)	0.080 (2)	−0.0046 (12)	0.0118 (12)	−0.0104 (10)
I312	0.110 (3)	0.0303 (15)	0.038 (2)	0.0019 (15)	0.014 (2)	−0.0097 (14)
I315	0.137 (4)	0.069 (2)	0.098 (3)	0.046 (3)	0.071 (3)	0.0508 (18)
I316	0.162 (4)	0.0307 (15)	0.078 (2)	−0.0247 (13)	0.0463 (17)	−0.0122 (12)
I307	0.154 (4)	0.0411 (14)	0.076 (2)	−0.0005 (14)	0.0359 (15)	0.0062 (11)
I309	0.273 (11)	0.060 (3)	0.039 (3)	−0.039 (4)	0.037 (3)	−0.017 (2)
I310	0.339 (13)	0.045 (4)	0.047 (3)	0.027 (4)	0.039 (4)	0.016 (2)
I314	0.116 (3)	0.0234 (9)	0.105 (2)	0.0120 (11)	0.0432 (17)	0.0078 (12)
I311	0.111 (5)	0.084 (3)	0.053 (2)	0.009 (3)	0.017 (3)	−0.021 (2)
I313	0.112 (2)	0.0364 (12)	0.0626 (13)	−0.0042 (11)	−0.0063 (14)	0.0243 (10)
I306	0.138 (3)	0.056 (3)	0.101 (4)	0.005 (2)	0.034 (2)	0.014 (2)
I318	0.219 (4)	0.0294 (17)	0.047 (2)	−0.0094 (18)	0.023 (2)	−0.0009 (13)
I304	0.079 (2)	0.0459 (14)	0.098 (3)	−0.0028 (12)	0.0106 (17)	−0.0099 (14)
I303	0.138 (4)	0.061 (2)	0.087 (3)	0.013 (2)	0.0445 (18)	0.0176 (14)
I317	0.088 (2)	0.139 (5)	0.090 (4)	0.034 (3)	0.008 (2)	−0.038 (3)
I305	0.086 (3)	0.111 (5)	0.077 (3)	−0.025 (2)	0.0146 (18)	0.017 (3)
I301	0.135 (3)	0.0827 (18)	0.0671 (17)	−0.0265 (17)	0.0272 (15)	−0.0252 (13)
I302	0.175 (4)	0.0522 (15)	0.097 (2)	0.0232 (18)	0.056 (2)	0.0197 (13)
Zn38	0.141 (3)	0.028 (3)	0.0427 (15)	0.017 (2)	0.0404 (18)	0.0030 (17)
Zn39	0.110 (5)	0.038 (4)	0.046 (5)	0.020 (3)	0.009 (4)	0.007 (3)
Zn36	0.083 (6)	0.033 (4)	0.055 (5)	0.008 (3)	0.017 (4)	−0.007 (3)
Zn35	0.102 (8)	0.026 (6)	0.083 (9)	−0.001 (5)	0.021 (6)	0.002 (5)
Zn33	0.071 (4)	0.065 (6)	0.058 (6)	−0.014 (3)	0.014 (3)	−0.009 (4)
Zn34	0.104 (2)	0.0375 (12)	0.096 (3)	−0.0021 (13)	0.014 (2)	−0.0052 (16)
Zn37	0.093 (4)	0.0206 (19)	0.053 (3)	−0.0037 (19)	0.002 (3)	0.014 (2)
Zn32	0.083 (5)	0.038 (3)	0.068 (3)	0.002 (3)	0.019 (3)	0.003 (2)
Zn31	0.128 (5)	0.040 (3)	0.048 (2)	−0.002 (3)	0.033 (3)	0.0022 (18)
N332	0.100 (13)	0.039 (7)	0.045 (8)	0.003 (7)	0.016 (8)	0.007 (6)
N321	0.151 (17)	0.032 (7)	0.029 (6)	0.000 (8)	0.029 (8)	−0.007 (5)
N315	0.171 (18)	0.030 (6)	0.018 (6)	−0.005 (8)	0.040 (8)	−0.007 (5)
N327	0.129 (14)	0.025 (6)	0.019 (5)	0.008 (7)	0.011 (7)	0.002 (4)
N328	0.118 (14)	0.024 (6)	0.033 (6)	0.007 (7)	0.012 (7)	0.003 (5)
N336	0.100 (14)	0.040 (8)	0.064 (10)	−0.004 (8)	0.030 (9)	0.002 (7)
N326	0.124 (14)	0.028 (6)	0.025 (6)	−0.005 (7)	0.026 (7)	0.013 (5)
N320	0.096 (14)	0.040 (8)	0.078 (11)	−0.003 (8)	0.023 (10)	−0.010 (7)
N302	0.110 (13)	0.032 (6)	0.035 (7)	0.004 (7)	0.007 (7)	−0.008 (5)
N303	0.097 (12)	0.037 (7)	0.037 (7)	0.006 (7)	0.017 (7)	0.001 (5)
N319	0.097 (14)	0.044 (8)	0.067 (10)	−0.004 (8)	0.021 (10)	0.006 (7)
C398	0.098 (15)	0.023 (7)	0.031 (7)	0.003 (7)	0.013 (8)	0.011 (5)
N331	0.133 (17)	0.039 (8)	0.040 (8)	0.014 (9)	0.017 (9)	0.001 (6)
N334	0.101 (13)	0.043 (7)	0.030 (6)	0.003 (7)	0.018 (7)	0.003 (5)
N329	0.160 (18)	0.022 (6)	0.042 (8)	0.013 (8)	0.031 (9)	0.009 (5)
N330	0.147 (17)	0.030 (7)	0.040 (8)	0.011 (8)	0.004 (9)	−0.002 (6)
N325	0.136 (17)	0.039 (8)	0.053 (9)	0.000 (9)	0.007 (9)	−0.002 (7)
N313	0.090 (13)	0.054 (9)	0.079 (12)	−0.002 (8)	0.017 (10)	−0.008 (8)
N309	0.136 (18)	0.058 (9)	0.050 (9)	−0.005 (10)	0.030 (10)	−0.009 (7)
N316	0.161 (19)	0.040 (7)	0.043 (8)	−0.027 (9)	0.042 (10)	−0.018 (6)
N305	0.077 (12)	0.047 (8)	0.088 (12)	0.001 (8)	0.014 (9)	−0.003 (8)
C396	0.071 (13)	0.045 (9)	0.043 (9)	−0.009 (8)	0.009 (8)	0.005 (7)
N333	0.108 (15)	0.045 (8)	0.052 (9)	−0.006 (8)	0.013 (9)	0.016 (7)
N322	0.130 (17)	0.045 (8)	0.050 (9)	−0.012 (9)	0.015 (10)	−0.010 (7)
N304	0.093 (13)	0.038 (7)	0.072 (10)	−0.001 (7)	0.018 (9)	−0.023 (7)
N301	0.18 (2)	0.030 (7)	0.055 (9)	−0.002 (9)	0.058 (11)	0.006 (6)
N314	0.139 (18)	0.040 (8)	0.063 (10)	−0.013 (9)	0.021 (10)	−0.016 (7)
N323	0.117 (17)	0.045 (9)	0.088 (13)	0.003 (10)	0.022 (12)	0.016 (8)
C363	0.101 (17)	0.031 (8)	0.054 (10)	−0.007 (9)	0.011 (10)	−0.004 (7)
N307	0.109 (15)	0.055 (9)	0.049 (9)	−0.013 (9)	0.014 (9)	−0.005 (7)
N312	0.141 (19)	0.044 (9)	0.086 (13)	−0.001 (10)	0.013 (12)	−0.021 (9)
C378	0.116 (16)	0.035 (8)	0.027 (7)	0.005 (8)	0.015 (8)	−0.007 (6)
N308	0.121 (17)	0.060 (10)	0.054 (9)	−0.007 (10)	0.031 (10)	−0.010 (8)
C357	0.107 (19)	0.038 (9)	0.078 (14)	0.001 (10)	0.028 (13)	0.005 (9)
N318	0.18 (2)	0.033 (7)	0.048 (9)	−0.008 (9)	0.046 (11)	−0.007 (6)
N311	0.15 (2)	0.064 (11)	0.063 (11)	−0.007 (12)	0.053 (13)	0.000 (9)
C406	0.102 (16)	0.045 (9)	0.024 (7)	0.005 (9)	0.014 (8)	0.012 (6)
C339	0.115 (17)	0.025 (7)	0.051 (10)	−0.003 (8)	0.024 (10)	−0.001 (7)
C405	0.081 (15)	0.042 (9)	0.074 (12)	0.004 (9)	0.009 (11)	0.010 (8)
C360	0.111 (18)	0.042 (9)	0.043 (9)	0.020 (10)	0.011 (10)	−0.003 (7)
C344	0.103 (16)	0.033 (8)	0.061 (11)	−0.021 (9)	0.026 (10)	−0.013 (7)
N306	0.127 (16)	0.046 (8)	0.048 (8)	−0.013 (9)	0.011 (9)	0.000 (7)
C306	0.105 (15)	0.022 (7)	0.051 (9)	−0.006 (8)	0.020 (9)	0.010 (6)
C385	0.20 (3)	0.049 (10)	0.018 (7)	−0.011 (12)	0.032 (11)	−0.016 (7)
N317	0.137 (17)	0.048 (9)	0.053 (9)	−0.013 (9)	0.021 (10)	−0.017 (7)
C390	0.125 (19)	0.046 (9)	0.039 (9)	0.006 (10)	0.015 (10)	−0.002 (7)
C361	0.110 (18)	0.027 (8)	0.056 (10)	−0.008 (9)	0.015 (10)	−0.006 (7)
N310	0.120 (17)	0.036 (7)	0.073 (11)	−0.001 (8)	0.032 (11)	−0.009 (7)
N335	0.105 (11)	0.047 (8)	0.103 (12)	−0.009 (8)	0.012 (9)	0.013 (7)
C342	0.124 (19)	0.035 (8)	0.060 (11)	−0.002 (9)	0.027 (11)	−0.005 (8)
C375	0.105 (15)	0.029 (7)	0.036 (8)	0.002 (8)	0.004 (8)	0.006 (6)
C404	0.125 (18)	0.034 (8)	0.039 (9)	−0.007 (9)	0.024 (10)	−0.011 (7)
C303	0.116 (17)	0.032 (8)	0.036 (8)	−0.011 (8)	0.014 (9)	−0.005 (6)
C308	0.102 (16)	0.047 (9)	0.048 (10)	−0.009 (9)	0.015 (10)	0.001 (7)
C324	0.110 (18)	0.066 (12)	0.034 (9)	0.011 (11)	0.025 (10)	−0.008 (8)
C388	0.126 (18)	0.022 (7)	0.039 (8)	0.003 (8)	0.009 (9)	0.000 (6)
N324	0.105 (15)	0.029 (7)	0.088 (12)	0.015 (8)	−0.003 (10)	−0.004 (8)
C325	0.105 (18)	0.045 (9)	0.052 (10)	−0.010 (10)	0.025 (11)	−0.011 (8)
C395	0.119 (19)	0.055 (11)	0.053 (11)	0.020 (11)	0.024 (11)	0.008 (9)
C384	0.15 (2)	0.042 (9)	0.050 (10)	−0.009 (11)	0.034 (12)	0.000 (8)
C307	0.129 (19)	0.038 (8)	0.036 (8)	−0.007 (9)	0.017 (10)	0.014 (7)
C347	0.19 (3)	0.045 (10)	0.030 (8)	−0.022 (12)	0.043 (12)	−0.014 (7)
C394	0.13 (2)	0.038 (9)	0.032 (8)	0.006 (10)	0.016 (10)	0.010 (7)
C381	0.104 (15)	0.022 (7)	0.055 (10)	0.003 (8)	0.022 (10)	0.013 (7)
C373	0.14 (2)	0.032 (8)	0.039 (9)	−0.014 (10)	0.020 (10)	−0.018 (7)
C316	0.113 (18)	0.034 (8)	0.058 (11)	−0.010 (9)	0.010 (10)	−0.010 (7)
C349	0.13 (2)	0.033 (8)	0.062 (12)	0.000 (10)	0.032 (12)	−0.001 (8)
C304	0.13 (2)	0.042 (10)	0.084 (15)	0.011 (11)	0.035 (14)	0.011 (10)
C340	0.14 (2)	0.029 (8)	0.084 (15)	−0.004 (10)	0.026 (14)	−0.003 (9)
C348	0.12 (2)	0.048 (10)	0.062 (12)	−0.002 (11)	0.027 (12)	0.004 (9)
C352	0.16 (2)	0.036 (8)	0.032 (8)	−0.014 (10)	0.017 (10)	−0.023 (7)
C355	0.125 (19)	0.040 (9)	0.060 (11)	−0.002 (10)	0.022 (11)	0.020 (8)
C393	0.104 (17)	0.029 (8)	0.049 (10)	−0.007 (9)	0.010 (10)	0.007 (7)
C365	0.18 (3)	0.049 (10)	0.029 (8)	−0.002 (12)	0.009 (11)	0.020 (7)
C380	0.118 (17)	0.021 (7)	0.042 (9)	0.002 (8)	0.012 (9)	−0.001 (6)
C309	0.113 (17)	0.039 (9)	0.050 (10)	0.004 (9)	0.005 (10)	−0.014 (7)
C317	0.14 (2)	0.041 (9)	0.047 (10)	0.014 (11)	0.023 (11)	−0.002 (8)
O3A	0.094 (15)	0.056 (10)	0.089 (13)	0.005 (10)	0.018 (11)	−0.013 (9)
C345	0.17 (2)	0.039 (9)	0.029 (8)	−0.024 (10)	0.042 (11)	−0.013 (7)
C321	0.100 (17)	0.048 (10)	0.056 (11)	0.006 (10)	0.025 (11)	−0.004 (8)
C356	0.13 (2)	0.058 (11)	0.029 (8)	0.001 (12)	0.014 (10)	0.011 (7)
C379	0.116 (17)	0.031 (8)	0.046 (9)	0.014 (9)	0.025 (10)	0.006 (7)
C327	0.15 (3)	0.057 (12)	0.070 (14)	0.005 (14)	0.044 (15)	−0.014 (10)
C305	0.12 (2)	0.047 (10)	0.060 (11)	0.008 (11)	0.031 (12)	0.008 (8)
C354	0.14 (2)	0.049 (10)	0.031 (8)	0.000 (11)	0.026 (10)	−0.002 (7)
C376	0.138 (19)	0.031 (8)	0.032 (8)	−0.009 (9)	0.004 (9)	−0.004 (6)
C328	0.15 (3)	0.056 (11)	0.036 (9)	0.013 (13)	0.021 (12)	−0.005 (8)
O1A	0.092 (15)	0.061 (11)	0.081 (13)	0.019 (10)	0.029 (11)	0.035 (9)
C302	0.22 (3)	0.032 (8)	0.028 (8)	0.006 (12)	0.043 (12)	0.004 (6)
C341	0.19 (3)	0.028 (8)	0.055 (11)	−0.010 (12)	0.012 (14)	0.004 (8)
O2A	0.126 (18)	0.048 (10)	0.086 (13)	−0.011 (10)	0.007 (12)	0.018 (9)
C366	0.15 (3)	0.037 (10)	0.076 (14)	0.002 (12)	0.037 (15)	0.018 (9)
C370	0.085 (16)	0.051 (10)	0.083 (14)	−0.001 (10)	0.023 (12)	−0.003 (10)
C362	0.13 (2)	0.052 (11)	0.055 (11)	0.004 (12)	0.028 (12)	0.007 (9)
C314	0.16 (2)	0.057 (11)	0.044 (10)	−0.007 (13)	0.029 (12)	−0.009 (9)
C326	0.099 (18)	0.075 (13)	0.051 (10)	−0.005 (12)	0.019 (11)	−0.016 (10)
C320	0.098 (18)	0.071 (13)	0.062 (12)	0.009 (12)	0.009 (11)	−0.028 (10)
C319	0.091 (17)	0.065 (12)	0.104 (17)	−0.009 (11)	0.017 (13)	−0.047 (12)
C334	0.11 (2)	0.061 (12)	0.076 (14)	0.000 (12)	0.015 (13)	−0.020 (10)
C399	0.099 (12)	0.051 (9)	0.066 (10)	−0.005 (9)	0.009 (9)	0.012 (7)
C346	0.17 (3)	0.044 (10)	0.058 (12)	−0.030 (12)	0.050 (14)	−0.014 (8)
C374	0.13 (2)	0.034 (8)	0.049 (10)	0.003 (10)	0.019 (11)	−0.001 (7)
C367	0.090 (16)	0.048 (10)	0.099 (16)	−0.001 (10)	0.038 (13)	0.017 (10)
C377	0.14 (2)	0.032 (9)	0.071 (13)	−0.004 (10)	−0.010 (13)	0.002 (8)
C337	0.110 (19)	0.042 (10)	0.087 (15)	−0.012 (10)	0.023 (13)	−0.021 (10)
C397	0.114 (17)	0.053 (10)	0.025 (7)	−0.008 (10)	0.010 (8)	0.000 (7)
C389	0.15 (2)	0.049 (10)	0.029 (8)	0.014 (11)	0.012 (10)	0.003 (7)
C343	0.14 (2)	0.036 (9)	0.049 (10)	−0.024 (10)	0.036 (11)	−0.021 (7)
C312	0.111 (19)	0.043 (10)	0.090 (16)	0.002 (10)	0.017 (13)	−0.005 (10)
C351	0.28 (4)	0.013 (7)	0.051 (11)	−0.006 (12)	0.054 (16)	−0.001 (7)
C383	0.17 (3)	0.044 (10)	0.057 (12)	0.004 (12)	0.033 (14)	0.004 (9)
C353	0.18 (3)	0.033 (9)	0.063 (12)	−0.016 (12)	0.038 (14)	−0.004 (8)
C364	0.13 (2)	0.055 (11)	0.033 (9)	−0.006 (12)	−0.001 (10)	0.008 (8)
C315	0.14 (2)	0.047 (10)	0.062 (12)	0.009 (11)	0.015 (13)	−0.010 (9)
C311	0.20 (3)	0.038 (10)	0.069 (14)	0.007 (13)	0.022 (16)	0.009 (9)
C318	0.17 (3)	0.042 (10)	0.069 (13)	−0.014 (12)	0.046 (15)	−0.014 (9)
C3A	0.094 (17)	0.035 (10)	0.054 (12)	−0.001 (11)	0.025 (12)	−0.006 (9)
C301	0.28 (4)	0.035 (10)	0.047 (11)	0.009 (15)	0.046 (17)	0.010 (8)
C338	0.20 (3)	0.034 (9)	0.053 (11)	−0.006 (12)	0.047 (15)	−0.011 (8)
C382	0.15 (2)	0.028 (8)	0.073 (13)	0.009 (10)	0.037 (14)	0.005 (8)
C310	0.17 (3)	0.035 (9)	0.070 (13)	0.016 (12)	0.036 (15)	−0.002 (9)
C408	0.14 (2)	0.052 (11)	0.065 (13)	0.010 (13)	0.025 (14)	0.036 (10)
C350	0.29 (4)	0.046 (11)	0.029 (9)	−0.013 (16)	0.041 (15)	−0.012 (8)
C407	0.106 (18)	0.076 (13)	0.051 (11)	0.004 (12)	0.012 (11)	0.021 (10)
C387	0.18 (3)	0.032 (8)	0.040 (9)	−0.002 (11)	0.037 (12)	0.003 (7)
C329	0.18 (3)	0.050 (11)	0.055 (12)	0.016 (14)	0.037 (15)	0.007 (9)
C386	0.20 (3)	0.040 (9)	0.043 (10)	0.005 (12)	0.055 (14)	0.005 (8)
C372	0.16 (3)	0.053 (13)	0.11 (2)	−0.004 (15)	0.03 (2)	0.012 (13)
C2A	0.11 (2)	0.046 (12)	0.068 (15)	−0.014 (13)	0.034 (14)	−0.004 (11)
C369	0.11 (2)	0.066 (14)	0.13 (2)	0.008 (14)	0.013 (18)	0.043 (15)
C4A	0.101 (16)	0.034 (10)	0.043 (11)	0.004 (10)	0.025 (11)	0.005 (8)
C313	0.11 (2)	0.054 (11)	0.076 (14)	0.002 (11)	0.002 (13)	0.001 (10)
C403	0.097 (11)	0.080 (13)	0.115 (15)	−0.016 (11)	−0.007 (11)	0.050 (11)
C391	0.15 (3)	0.11 (2)	0.11 (2)	0.01 (2)	0.02 (2)	0.070 (18)
C359	0.17 (3)	0.053 (12)	0.088 (17)	0.004 (15)	0.035 (19)	0.029 (11)
C392	0.17 (3)	0.076 (15)	0.082 (16)	0.013 (16)	0.036 (17)	0.050 (13)
C358	0.11 (2)	0.057 (12)	0.12 (2)	−0.001 (12)	0.018 (16)	0.026 (13)
C335	0.13 (3)	0.12 (2)	0.12 (2)	−0.004 (19)	−0.01 (2)	−0.090 (19)
C6A	0.14 (2)	0.052 (13)	0.064 (15)	0.012 (14)	0.050 (15)	−0.004 (12)
C1A	0.13 (2)	0.050 (13)	0.062 (14)	−0.016 (14)	0.049 (15)	−0.017 (11)
C330	0.14 (3)	0.084 (19)	0.17 (3)	−0.019 (19)	0.06 (3)	−0.07 (2)
C402	0.094 (11)	0.103 (15)	0.144 (18)	−0.018 (12)	−0.005 (12)	0.063 (13)
C401	0.107 (12)	0.111 (16)	0.141 (18)	−0.023 (13)	0.001 (13)	0.062 (13)
C371	0.13 (3)	0.100 (19)	0.071 (15)	−0.012 (17)	0.023 (16)	0.025 (13)
C368	0.13 (3)	0.064 (14)	0.11 (2)	−0.003 (14)	0.018 (17)	0.011 (13)
C12A	0.084 (16)	0.048 (12)	0.077 (15)	0.012 (11)	0.004 (13)	−0.015 (11)
C333	0.13 (3)	0.10 (2)	0.16 (3)	−0.005 (19)	0.01 (2)	−0.10 (2)
C336	0.10 (2)	0.14 (3)	0.12 (2)	0.027 (19)	−0.016 (18)	−0.07 (2)
C400	0.110 (12)	0.115 (16)	0.112 (16)	−0.028 (13)	−0.002 (12)	0.060 (13)
C331	0.15 (3)	0.100 (19)	0.16 (3)	−0.026 (18)	0.08 (2)	−0.09 (2)
C11A	0.11 (2)	0.038 (12)	0.088 (17)	0.022 (13)	−0.010 (15)	−0.028 (12)
C5A	0.099 (17)	0.038 (11)	0.076 (14)	0.010 (11)	0.033 (13)	0.005 (10)
C332	0.10 (2)	0.10 (2)	0.19 (3)	0.027 (17)	0.01 (2)	−0.08 (2)
C323	0.12 (3)	0.18 (3)	0.14 (3)	−0.04 (2)	0.04 (2)	−0.12 (3)
C14A	0.08 (2)	0.068 (18)	0.14 (3)	−0.009 (15)	0.02 (2)	0.057 (19)
C7A	0.104 (17)	0.031 (10)	0.056 (12)	−0.004 (10)	0.014 (12)	0.007 (9)
C9A	0.11 (2)	0.052 (14)	0.101 (19)	−0.015 (14)	−0.015 (17)	0.042 (14)
C8A	0.124 (19)	0.028 (10)	0.071 (14)	−0.012 (11)	0.009 (14)	0.013 (10)
C322	0.13 (2)	0.14 (2)	0.11 (2)	−0.046 (19)	0.044 (18)	−0.11 (2)
C13A	0.10 (2)	0.048 (13)	0.095 (19)	0.021 (14)	−0.001 (17)	−0.002 (13)
I416	0.51 (4)	0.030 (4)	0.030 (4)	−0.011 (6)	0.055 (6)	−0.011 (3)
Zn48	0.141 (3)	0.028 (3)	0.0427 (15)	0.017 (2)	0.0404 (18)	0.0030 (17)
I415	0.121 (8)	0.088 (7)	0.124 (11)	−0.015 (7)	0.018 (8)	0.047 (7)
I412	0.231 (9)	0.037 (2)	0.046 (4)	−0.009 (3)	0.010 (4)	−0.009 (2)
Zn46	0.197 (15)	0.034 (5)	0.047 (7)	0.015 (6)	0.027 (8)	0.017 (5)
I411	0.109 (7)	0.119 (7)	0.131 (7)	0.047 (5)	0.031 (5)	0.020 (4)
I418	0.65 (2)	0.034 (3)	0.063 (5)	−0.038 (6)	−0.020 (7)	−0.004 (3)
Zn49	0.310 (15)	0.055 (8)	0.022 (6)	0.053 (8)	−0.013 (8)	−0.028 (5)
I417	0.337 (12)	0.245 (13)	0.039 (4)	0.164 (9)	−0.024 (5)	−0.058 (5)
I406	0.320 (19)	0.043 (3)	0.049 (3)	−0.010 (7)	0.054 (7)	0.007 (2)
Zn43	0.26 (2)	0.042 (7)	0.024 (6)	−0.029 (8)	0.026 (8)	0.007 (5)
I405	0.166 (10)	0.121 (10)	0.096 (5)	−0.052 (7)	0.029 (6)	0.011 (6)
I410	0.111 (3)	0.037 (3)	0.135 (6)	0.005 (2)	0.042 (3)	0.008 (3)
Zn45	0.228 (19)	0.038 (7)	0.017 (4)	−0.020 (7)	0.047 (6)	−0.012 (4)
I409	0.091 (3)	0.067 (3)	0.091 (4)	−0.022 (2)	0.032 (3)	−0.035 (2)
I404	0.158 (9)	0.073 (5)	0.33 (2)	0.039 (5)	−0.096 (10)	−0.103 (9)
Zn42	0.083 (9)	0.040 (6)	0.30 (3)	0.012 (5)	0.008 (15)	−0.031 (10)
I403	0.113 (6)	0.069 (5)	0.359 (19)	−0.006 (4)	0.058 (11)	0.069 (9)
I401	0.56 (4)	0.167 (16)	0.067 (8)	−0.24 (2)	0.118 (16)	−0.066 (9)
Zn41	0.26 (4)	0.033 (8)	0.15 (3)	−0.03 (2)	0.15 (3)	−0.003 (16)
I402	0.40 (4)	0.079 (10)	0.36 (3)	0.107 (15)	0.30 (3)	0.129 (14)
I407	0.076 (7)	0.090 (8)	0.43 (3)	0.003 (5)	0.048 (10)	0.086 (11)
I408	0.147 (12)	0.046 (5)	0.37 (2)	0.016 (6)	−0.046 (14)	−0.071 (10)
Zn44	0.104 (2)	0.0375 (12)	0.096 (3)	−0.0021 (13)	0.014 (2)	−0.0052 (16)
C10A	0.11 (2)	0.037 (12)	0.11 (2)	0.006 (13)	−0.018 (18)	0.004 (14)
I413	0.251 (17)	0.081 (7)	0.48 (3)	−0.048 (8)	−0.19 (2)	0.110 (14)
Zn47	0.22 (2)	0.045 (8)	0.23 (2)	0.044 (9)	−0.106 (18)	−0.057 (12)
I414	0.183 (13)	0.224 (16)	0.70 (4)	0.021 (12)	0.01 (2)	−0.34 (2)
C15A	0.09 (3)	0.10 (3)	0.14 (3)	−0.02 (2)	0.05 (2)	−0.05 (2)
C808	0.08 (3)	0.11 (3)	0.06 (2)	−0.02 (3)	0.04 (2)	−0.03 (2)
C807	0.08 (3)	0.12 (3)	0.06 (3)	−0.01 (3)	0.05 (2)	−0.01 (2)
C812	0.10 (3)	0.14 (4)	0.06 (3)	−0.03 (3)	0.04 (2)	0.00 (2)
C811	0.09 (3)	0.15 (4)	0.07 (3)	−0.03 (3)	0.02 (2)	−0.01 (2)
C810	0.09 (3)	0.13 (3)	0.06 (3)	−0.04 (3)	0.02 (2)	−0.02 (2)
C809	0.08 (3)	0.11 (3)	0.04 (2)	−0.02 (2)	0.03 (2)	−0.03 (2)
C806	0.11 (3)	0.07 (3)	0.16 (4)	0.03 (2)	−0.04 (3)	−0.06 (2)
C805	0.12 (3)	0.08 (3)	0.16 (4)	0.04 (3)	−0.04 (3)	−0.06 (3)
C804	0.12 (3)	0.10 (3)	0.16 (4)	0.04 (3)	−0.05 (3)	−0.06 (3)
C803	0.12 (3)	0.08 (3)	0.16 (4)	0.04 (2)	−0.04 (3)	−0.06 (3)
C802	0.11 (3)	0.08 (3)	0.16 (4)	0.03 (2)	−0.04 (3)	−0.06 (3)
C801	0.10 (3)	0.06 (3)	0.16 (4)	0.04 (2)	−0.03 (3)	−0.06 (3)

Geometric parameters (Å, º)

I308—Zn34	2.583 (6)	C317—H317	0.9500
I312—Zn36	2.542 (10)	C317—C318	1.35 (3)
I315—Zn38	2.524 (7)	O3A—C12A	1.366 (17)
I316—Zn38	2.544 (6)	O3A—C15A	1.425 (18)
I307—Zn34	2.499 (6)	C345—C346	1.38 (2)
I309—Zn35	2.501 (10)	C345—C343	1.46 (2)
I310—Zn35	2.548 (9)	C321—C320	1.33 (3)
I314—Zn37	2.552 (8)	C321—C322	1.39 (3)
I311—Zn36	2.506 (9)	C356—H356	0.9500
I313—Zn37	2.514 (6)	C327—C328	1.31 (4)
I306—Zn33	2.542 (9)	C327—C331	1.40 (4)
I318—Zn39	2.533 (6)	C305—H305	0.9500
I304—Zn32	2.539 (8)	C354—H354	0.9500
I303—Zn32	2.535 (7)	C354—C353	1.42 (2)
I317—Zn39	2.537 (6)	C376—H376	0.9500
I305—Zn33	2.511 (8)	C376—C377	1.36 (2)
I301—Zn31	2.506 (11)	C328—H328	0.9500
I302—Zn31	2.534 (10)	C328—C329	1.39 (3)
Zn38—N336^i	2.005 (18)	O1A—H1A	0.8400
Zn38—N329	2.080 (14)	O1A—C13A	1.419 (17)
Zn39—N331	2.094 (18)	C302—H302	0.9500
Zn39—N330	2.047 (15)	C302—C301	1.41 (3)
Zn36—N323	2.07 (2)	C341—H341	0.9500
Zn36—N317^ii	2.11 (2)	O2A—C14A	1.423 (17)
Zn35—N319	2.072 (18)	O2A—C8A	1.367 (17)
Zn35—N318	2.086 (16)	C366—H366	0.9500
Zn33—N307	2.073 (18)	C366—C367	1.39 (3)
Zn33—N306	2.057 (16)	C370—C362	1.53 (3)
Zn34—N313	2.115 (18)	C370—C369	1.35 (3)
Zn34—N312	2.02 (2)	C370—C371	1.38 (3)
Zn37—N325	2.087 (15)	C314—H314	0.9500
Zn37—N324	2.07 (2)	C314—C315	1.36 (3)
Zn32—N305	2.089 (17)	C326—C334	1.51 (3)
Zn32—N335^iii	2.07 (2)	C320—H320	0.9500
Zn31—N301	2.123 (16)	C320—C319	1.37 (3)
Zn31—N311^i	2.14 (2)	C319—H319	0.9500
N332—C398	1.36 (2)	C334—C335	1.39 (4)
N332—C396	1.35 (2)	C334—C333	1.45 (3)
N321—C360	1.36 (3)	C399—C397	1.52 (3)
N321—C361	1.36 (2)	C399—C403	1.34 (3)
N315—C342	1.33 (2)	C399—C400	1.37 (3)
N315—C343	1.31 (2)	C346—H346	0.9500
N327—C378	1.336 (19)	C374—H374	0.9500
N327—C379	1.37 (2)	C367—H367	0.9500
N328—C380	1.31 (2)	C377—H377	0.9500
N328—C379	1.35 (2)	C337—H337	0.9500
N336—C404	1.33 (3)	C337—C338	1.39 (3)
N336—C408	1.33 (3)	C389—H389	0.9500
N336—Zn48^iv	2.29 (3)	C312—H312	0.9500
N326—C378	1.332 (18)	C312—C313	1.40 (3)
N326—C380	1.344 (19)	C351—H351	0.9500
N320—C360	1.30 (3)	C351—C350	1.34 (3)
N320—C362	1.32 (2)	C383—H383	0.9500
N302—C306	1.26 (2)	C383—C382	1.36 (3)
N302—C308	1.37 (2)	C353—H353	0.9500
N303—C306	1.352 (19)	C364—H364	0.9500
N303—C307	1.35 (2)	C315—H315	0.9500
N319—C355	1.33 (3)	C311—H311	0.9500
N319—C359	1.28 (3)	C311—C310	1.38 (3)
N319—Zn45	2.053 (18)	C318—H318	0.9500
N319—Zn55	1.65 (8)	C3A—H3A	0.9500
C398—N334	1.31 (2)	C3A—C2A	1.393 (16)
C398—C406	1.48 (2)	C3A—C4A	1.392 (16)
N331—C395	1.30 (2)	C301—H301	0.9500
N331—C391	1.34 (4)	C338—H338	0.9500
N331—Zn49	2.06 (2)	C382—H382	0.9500
N334—C397	1.34 (2)	C310—H310	0.9500
N329—C384	1.36 (2)	C408—H408	0.9500
N329—C383	1.36 (2)	C408—C407	1.38 (3)
N329—Zn48	2.075 (19)	C350—H350	0.9500
N330—C390	1.32 (2)	C407—H407	0.9500
N330—C386	1.35 (3)	C387—H387	0.9500
N330—Zn49	2.055 (16)	C387—C386	1.41 (2)
N325—C373	1.29 (2)	C329—H329	0.9500
N325—C377	1.31 (2)	C386—H386	0.9500
N325—Zn47	2.064 (19)	C372—H372	0.9500
N325—Zn57	2.19 (11)	C372—C371	1.40 (4)
N313—C341	1.32 (2)	C2A—H2A	0.9500
N313—C337	1.31 (3)	C2A—C1A	1.388 (16)
N313—Zn44	2.10 (2)	C369—H369	0.9500
N309—C324	1.35 (2)	C369—C368	1.43 (4)
N309—C325	1.33 (3)	C4A—C5A	1.406 (15)
N316—C344	1.31 (2)	C4A—C7A	1.50 (2)
N316—C343	1.35 (2)	C313—H313	0.9500
N305—C312	1.32 (3)	C403—H403	0.9500
N305—C311	1.30 (3)	C403—C402	1.35 (4)
N305—Zn42	2.098 (19)	C391—H391	0.9500
C396—N333	1.32 (2)	C391—C392	1.38 (4)
C396—C393	1.49 (3)	C359—H359	0.9500
N333—C397	1.32 (2)	C359—C358	1.39 (3)
N322—C361	1.38 (3)	C392—H392	0.9500
N322—C362	1.29 (3)	C358—H358	0.9500
N304—C308	1.33 (2)	C335—H335	0.9500
N304—C307	1.36 (2)	C335—C336	1.32 (4)
N301—C305	1.33 (2)	C6A—H6A	0.9500
N301—C301	1.31 (2)	C6A—C1A	1.393 (16)
N301—Zn41	2.09 (2)	C6A—C5A	1.393 (16)
N301—Zn51	2.35 (10)	C1A—H1AA	0.9500
N301—Zn61	2.09 (10)	C330—H330	0.9500
N314—C344	1.35 (2)	C330—C331	1.41 (3)
N314—C342	1.33 (2)	C330—Zn51^iv	2.59 (11)
N323—C365	1.30 (3)	C402—H402	0.9500
N323—C366	1.33 (3)	C401—H401	0.9500
N323—Zn46	2.07 (2)	C401—C400	1.39 (4)
C363—C361	1.45 (3)	C371—H371	0.9500
C363—C367	1.40 (2)	C368—H368	0.9500
C363—C364	1.33 (3)	C12A—C11A	1.404 (17)
N307—C319	1.30 (3)	C12A—C7A	1.402 (17)
N307—C323	1.33 (3)	C333—H333	0.9500
N307—Zn43	2.09 (2)	C333—C332	1.40 (4)
N307—Zn26	2.84 (13)	C336—H336	0.9500
N312—C336	1.32 (3)	C400—H400	0.9500
N312—C332	1.26 (4)	C331—H331	0.9500
N312—Zn44	2.01 (3)	C11A—H11A	0.9500
C378—C375	1.50 (2)	C11A—C10A	1.388 (18)
N308—C324	1.38 (3)	C5A—C13A	1.49 (2)
N308—C326	1.30 (3)	C332—H332	0.9500
C357—C360	1.45 (3)	C323—H323	0.9500
C357—C356	1.33 (3)	C323—C322	1.37 (4)
C357—C358	1.37 (3)	C14A—H14A	0.9800
N318—C354	1.32 (2)	C14A—H14B	0.9800
N318—C350	1.33 (2)	C14A—H14C	0.9800
N318—Zn45	2.082 (15)	C7A—C8A	1.394 (17)
N311—C329	1.32 (3)	C9A—H9A	0.9500
N311—C330	1.33 (4)	C9A—C8A	1.397 (17)
N311—Zn41^iv	2.08 (3)	C9A—C10A	1.391 (18)
N311—Zn51^iv	2.39 (11)	C322—H322	0.9500
C406—C405	1.34 (3)	C13A—H13A	0.9900
C406—C407	1.41 (3)	C13A—H13B	0.9900
C339—C342	1.49 (2)	I416—Zn48	2.531 (14)
C339—C340	1.35 (3)	Zn48—I415	2.504 (14)
C339—C338	1.39 (2)	I412—Zn46	2.545 (12)
C405—H405	0.9500	Zn46—I411	2.516 (13)
C405—C404	1.37 (2)	I418—Zn49	2.519 (12)
C344—C352	1.53 (2)	Zn49—I417	2.510 (13)
N306—C314	1.30 (2)	I406—Zn43	2.550 (12)
N306—C318	1.37 (3)	Zn43—I405	2.506 (14)
N306—Zn43	2.067 (17)	I410—Zn45	2.553 (10)
N306—Zn26	2.72 (13)	Zn45—I409	2.524 (10)
C306—C303	1.46 (2)	I404—Zn42	2.540 (14)
C385—H385	0.9500	Zn42—I403	2.531 (15)
C385—C384	1.36 (2)	I401—Zn41	2.514 (19)
C385—C381	1.36 (2)	Zn41—I402	2.525 (18)
N317—C347	1.32 (2)	I512—Zn56	2.51 (7)
N317—C348	1.36 (2)	Zn56—I511	2.51 (8)
N317—Zn46^v	1.98 (2)	I407—Zn44	2.500 (15)
N317—Zn56	2.32 (7)	I408—Zn44	2.566 (14)
C390—H390	0.9500	I502—Zn51	2.41 (9)
C390—C389	1.36 (2)	I501—Zn51	2.50 (10)
N310—C325	1.31 (3)	I20—Zn26	2.31 (14)
N310—C326	1.33 (2)	Zn26—I36	2.72 (14)
N335—C402	1.30 (3)	I509—Zn55	2.59 (10)
N335—C401	1.30 (3)	I510—Zn55	2.50 (9)
N335—Zn42^vi	1.98 (3)	C10A—H10A	0.9500
C375—C376	1.37 (2)	I413—Zn47	2.530 (16)
C375—C374	1.39 (2)	Zn47—I414	2.529 (17)
C404—H404	0.9500	I513—Zn57	2.64 (6)
C303—C304	1.38 (2)	I514—Zn57	2.65 (6)
C303—C302	1.37 (2)	I601—Zn61	2.59 (12)
C308—C316	1.49 (2)	C15A—H15A	0.9800
C324—C321	1.44 (3)	C15A—H15B	0.9800
C388—C380	1.49 (2)	C15A—H15C	0.9800
C388—C389	1.40 (3)	I602—Zn61	2.57 (11)
C388—C387	1.34 (2)	C808—H80A	0.9900
N324—C372	1.28 (3)	C808—H80B	0.9900
N324—C368	1.32 (3)	C808—C807	1.537 (13)
N324—Zn47	2.10 (3)	C808—C809	1.536 (13)
N324—Zn57	2.12 (11)	C807—H80C	0.9900
C325—C327	1.45 (3)	C807—H80D	0.9900
C395—H395	0.9500	C807—C812	1.537 (13)
C395—C394	1.41 (3)	C812—H81A	0.9900
C384—H384	0.9500	C812—H81B	0.9900
C307—C309	1.49 (2)	C812—C811	1.536 (13)
C347—H347	0.9500	C811—H81C	0.9900
C347—C346	1.37 (3)	C811—H81D	0.9900
C394—H394	0.9500	C811—C810	1.536 (13)
C394—C393	1.32 (3)	C810—H81E	0.9900
C381—C379	1.46 (2)	C810—H81F	0.9900
C381—C382	1.36 (3)	C810—C809	1.534 (13)
C373—H373	0.9500	C809—H80E	0.9900
C373—C374	1.40 (2)	C809—H80F	0.9900
C316—C317	1.38 (2)	C806—H80G	0.9900
C316—C315	1.41 (3)	C806—H80H	0.9900
C349—H349	0.9500	C806—C805	1.539 (13)
C349—C348	1.33 (3)	C806—C801	1.540 (13)
C349—C345	1.43 (2)	C805—H80I	0.9900
C304—H304	0.9500	C805—H80J	0.9900
C304—C305	1.40 (3)	C805—C804	1.540 (13)
C340—H340	0.9500	C804—H80K	0.9900
C340—C341	1.42 (2)	C804—H80L	0.9900
C348—H348	0.9500	C804—C803	1.539 (13)
C352—C351	1.37 (2)	C803—H80M	0.9900
C352—C353	1.39 (2)	C803—H80N	0.9900
C355—H355	0.9500	C803—C802	1.539 (13)
C355—C356	1.40 (3)	C802—H80O	0.9900
C393—C392	1.39 (3)	C802—H80P	0.9900
C365—H365	0.9500	C802—C801	1.543 (13)
C365—C364	1.39 (3)	C801—H80Q	0.9900
C309—C310	1.39 (3)	C801—H80R	0.9900
C309—C313	1.41 (3)
I315—Zn38—I316	124.5 (3)	N307—C319—H319	119.9
N336^i—Zn38—I315	108.9 (7)	C320—C319—H319	119.9
N336^i—Zn38—I316	108.7 (7)	C335—C334—C326	126 (2)
N336^i—Zn38—N329	102.6 (7)	C335—C334—C333	111 (3)
N329—Zn38—I315	103.9 (6)	C333—C334—C326	123 (2)
N329—Zn38—I316	106.0 (6)	C403—C399—C397	122.9 (19)
I318—Zn39—I317	124.8 (3)	C403—C399—C400	116 (2)
N331—Zn39—I318	107.7 (6)	C400—C399—C397	121 (2)
N331—Zn39—I317	107.1 (6)	C347—C346—C345	121.1 (19)
N330—Zn39—I318	108.1 (6)	C347—C346—H346	119.4
N330—Zn39—I317	105.4 (7)	C345—C346—H346	119.4
N330—Zn39—N331	101.2 (6)	C375—C374—C373	116.4 (16)
I311—Zn36—I312	126.2 (5)	C375—C374—H374	121.8
N323—Zn36—I312	107.4 (8)	C373—C374—H374	121.8
N323—Zn36—I311	106.7 (8)	C363—C367—H367	122.0
N323—Zn36—N317^ii	99.2 (8)	C366—C367—C363	116 (2)
N317^ii—Zn36—I312	109.3 (7)	C366—C367—H367	122.0
N317^ii—Zn36—I311	104.6 (8)	N325—C377—C376	124.9 (19)
I309—Zn35—I310	126.8 (5)	N325—C377—H377	117.6
N319—Zn35—I309	108.4 (7)	C376—C377—H377	117.6
N319—Zn35—I310	104.1 (7)	N313—C337—H337	119.1
N319—Zn35—N318	97.7 (7)	N313—C337—C338	121.8 (18)
N318—Zn35—I309	105.8 (8)	C338—C337—H337	119.1
N318—Zn35—I310	110.2 (7)	N334—C397—C399	117.1 (17)
I305—Zn33—I306	124.8 (4)	N333—C397—N334	124 (2)
N307—Zn33—I306	105.4 (7)	N333—C397—C399	118.5 (17)
N307—Zn33—I305	107.5 (7)	C390—C389—C388	117.3 (18)
N306—Zn33—I306	107.1 (6)	C390—C389—H389	121.3
N306—Zn33—I305	107.9 (7)	C388—C389—H389	121.3
N306—Zn33—N307	101.8 (7)	N315—C343—N316	125.5 (16)
I307—Zn34—I308	121.5 (3)	N315—C343—C345	118.8 (14)
N313—Zn34—I308	110.2 (6)	N316—C343—C345	115.7 (16)
N313—Zn34—I307	106.8 (6)	N305—C312—H312	118.0
N312—Zn34—I308	104.9 (6)	N305—C312—C313	124 (2)
N312—Zn34—I307	109.4 (7)	C313—C312—H312	118.0
N312—Zn34—N313	102.4 (8)	C352—C351—H351	121.2
I313—Zn37—I314	120.6 (3)	C350—C351—C352	117.6 (16)
N325—Zn37—I314	106.7 (5)	C350—C351—H351	121.2
N325—Zn37—I313	110.9 (5)	N329—C383—H383	118.5
N324—Zn37—I314	106.2 (6)	N329—C383—C382	123.1 (19)
N324—Zn37—I313	108.3 (6)	C382—C383—H383	118.5
N324—Zn37—N325	102.6 (8)	C352—C353—C354	116.0 (17)
I303—Zn32—I304	121.8 (4)	C352—C353—H353	122.0
N305—Zn32—I304	110.4 (6)	C354—C353—H353	122.0
N305—Zn32—I303	108.9 (6)	C363—C364—C365	121 (2)
N335^iii—Zn32—I304	101.7 (6)	C363—C364—H364	119.4
N335^iii—Zn32—I303	111.8 (7)	C365—C364—H364	119.4
N335^iii—Zn32—N305	100.0 (8)	C316—C315—H315	120.7
I301—Zn31—I302	128.0 (4)	C314—C315—C316	118.7 (19)
N301—Zn31—I301	105.8 (8)	C314—C315—H315	120.7
N301—Zn31—I302	107.7 (6)	N305—C311—H311	116.9
N301—Zn31—N311^i	95.9 (7)	N305—C311—C310	126 (2)
N311^i—Zn31—I301	112.2 (8)	C310—C311—H311	116.9
N311^i—Zn31—I302	102.6 (8)	N306—C318—H318	118.1
C396—N332—C398	112.1 (17)	C317—C318—N306	123.8 (18)
C360—N321—C361	113 (2)	C317—C318—H318	118.1
C343—N315—C342	115.0 (13)	C2A—C3A—H3A	119.4
C378—N327—C379	113.5 (12)	C4A—C3A—H3A	119.4
C380—N328—C379	117.4 (13)	C4A—C3A—C2A	121.3 (14)
Zn38^iv—N336—Zn48^iv	1.5 (6)	N301—C301—C302	121.7 (17)
C404—N336—Zn38^iv	123.9 (17)	N301—C301—H301	119.1
C404—N336—C408	118.9 (17)	C302—C301—H301	119.1
C404—N336—Zn48^iv	122.7 (17)	C339—C338—C337	119.5 (19)
C408—N336—Zn38^iv	117.1 (13)	C339—C338—H338	120.2
C408—N336—Zn48^iv	118.3 (13)	C337—C338—H338	120.2
C378—N326—C380	113.9 (13)	C381—C382—C383	120.4 (18)
C360—N320—C362	115 (2)	C381—C382—H382	119.8
C306—N302—C308	115.9 (14)	C383—C382—H382	119.8
C307—N303—C306	112.0 (13)	C309—C310—H310	121.3
C355—N319—Zn35	124.8 (17)	C311—C310—C309	117.3 (19)
C355—N319—Zn45	122.7 (17)	C311—C310—H310	121.3
C355—N319—Zn55	148 (4)	N336—C408—H408	118.7
C359—N319—Zn35	120.4 (15)	N336—C408—C407	123 (2)
C359—N319—C355	114.5 (19)	C407—C408—H408	118.7
C359—N319—Zn45	122.5 (16)	N318—C350—C351	124.9 (18)
C359—N319—Zn55	97 (3)	N318—C350—H350	117.6
N332—C398—C406	114.6 (18)	C351—C350—H350	117.6
N334—C398—N332	126.2 (14)	C406—C407—H407	120.5
N334—C398—C406	119.2 (15)	C408—C407—C406	119 (2)
C395—N331—Zn39	121.5 (17)	C408—C407—H407	120.5
C395—N331—C391	120.6 (19)	C388—C387—H387	120.4
C395—N331—Zn49	119.6 (18)	C388—C387—C386	119.3 (17)
C391—N331—Zn39	117.6 (14)	C386—C387—H387	120.4
C391—N331—Zn49	119.4 (15)	N311—C329—C328	118 (3)
C398—N334—C397	115.0 (15)	N311—C329—H329	121.1
C384—N329—Zn38	122.7 (12)	C328—C329—H329	121.1
C384—N329—C383	116.0 (15)	N330—C386—C387	121.8 (17)
C384—N329—Zn48	117.2 (13)	N330—C386—H386	119.1
C383—N329—Zn38	121.3 (12)	C387—C386—H386	119.1
C383—N329—Zn48	126.6 (14)	N324—C372—H372	117.9
C390—N330—Zn39	123.9 (12)	N324—C372—C371	124 (3)
C390—N330—C386	116.6 (15)	C371—C372—H372	117.9
C390—N330—Zn49	126.2 (12)	C3A—C2A—H2A	120.8
C386—N330—Zn39	118.9 (13)	C1A—C2A—C3A	118.3 (15)
C386—N330—Zn49	116.6 (13)	C1A—C2A—H2A	120.8
C373—N325—Zn37	124.1 (12)	C370—C369—H369	120.1
C373—N325—C377	115.5 (15)	C370—C369—C368	120 (2)
C373—N325—Zn47	109.3 (12)	C368—C369—H369	120.1
C373—N325—Zn57	133.0 (18)	C3A—C4A—C5A	120.3 (13)
C377—N325—Zn37	120.4 (13)	C3A—C4A—C7A	119.2 (14)
C377—N325—Zn47	135.3 (14)	C5A—C4A—C7A	120.4 (15)
C377—N325—Zn57	111.4 (17)	C309—C313—H313	121.1
C341—N313—Zn34	114.2 (14)	C312—C313—C309	118 (2)
C341—N313—Zn44	120.3 (16)	C312—C313—H313	121.1
C337—N313—Zn34	124.1 (13)	C399—C403—H403	119.8
C337—N313—C341	121.7 (17)	C399—C403—C402	120 (2)
C337—N313—Zn44	118.0 (14)	C402—C403—H403	119.8
C325—N309—C324	114 (2)	N331—C391—H391	120.3
C344—N316—C343	113.4 (16)	N331—C391—C392	119 (3)
C312—N305—Zn32	127.1 (14)	C392—C391—H391	120.3
C312—N305—Zn42	115.1 (15)	N319—C359—H359	117.3
C311—N305—Zn32	116.4 (15)	N319—C359—C358	125 (3)
C311—N305—C312	116.5 (17)	C358—C359—H359	117.3
C311—N305—Zn42	128.4 (17)	C393—C392—H392	120.1
N332—C396—C393	115.7 (17)	C391—C392—C393	120 (3)
N333—C396—N332	126.5 (16)	C391—C392—H392	120.1
N333—C396—C393	117.8 (15)	C357—C358—C359	120 (3)
C396—N333—C397	115.6 (16)	C357—C358—H358	120.0
C362—N322—C361	114.7 (19)	C359—C358—H358	120.0
C308—N304—C307	112.7 (15)	C334—C335—H335	118.7
C305—N301—Zn31	122.9 (12)	C336—C335—C334	123 (3)
C305—N301—Zn41	117.2 (15)	C336—C335—H335	118.7
C305—N301—Zn51	105 (3)	C1A—C6A—H6A	119.4
C305—N301—Zn61	118 (3)	C5A—C6A—H6A	119.4
C301—N301—Zn31	117.4 (13)	C5A—C6A—C1A	121.1 (15)
C301—N301—C305	119.1 (16)	C2A—C1A—C6A	120.8 (14)
C301—N301—Zn41	122.9 (15)	C2A—C1A—H1AA	119.6
C301—N301—Zn51	127 (3)	C6A—C1A—H1AA	119.6
C301—N301—Zn61	112 (3)	N311—C330—H330	120.0
C342—N314—C344	112.2 (17)	N311—C330—C331	120 (3)
C365—N323—Zn36	126 (2)	N311—C330—Zn51^iv	66 (2)
C365—N323—C366	117 (2)	C331—C330—H330	120.0
C365—N323—Zn46	120.6 (19)	C331—C330—Zn51^iv	173 (4)
C366—N323—Zn36	117.7 (14)	N335—C402—C403	125 (3)
C366—N323—Zn46	122.9 (14)	N335—C402—H402	117.6
C367—C363—C361	119 (2)	C403—C402—H402	117.6
C364—C363—C361	122.8 (17)	N335—C401—H401	118.7
C364—C363—C367	118 (2)	N335—C401—C400	123 (2)
C319—N307—Zn33	126.6 (17)	C400—C401—H401	118.7
C319—N307—C323	118.5 (19)	C370—C371—C372	118 (3)
C319—N307—Zn43	121.4 (17)	C370—C371—H371	121.2
C319—N307—Zn26	105 (3)	C372—C371—H371	121.2
C323—N307—Zn33	114.9 (14)	N324—C368—C369	121 (3)
C323—N307—Zn43	120.1 (14)	N324—C368—H368	119.7
C323—N307—Zn26	136 (3)	C369—C368—H368	119.7
C336—N312—Zn34	125.5 (19)	O3A—C12A—C11A	124 (2)
C336—N312—Zn44	120.4 (19)	O3A—C12A—C7A	116.2 (16)
C332—N312—Zn34	117.7 (18)	C7A—C12A—C11A	119.8 (19)
C332—N312—C336	116 (3)	C334—C333—H333	119.8
C332—N312—Zn44	123.2 (19)	C332—C333—C334	120 (2)
N327—C378—C375	115.1 (12)	C332—C333—H333	119.8
N326—C378—N327	127.4 (14)	N312—C336—C335	126 (3)
N326—C378—C375	117.3 (13)	N312—C336—H336	117.1
C326—N308—C324	113.1 (18)	C335—C336—H336	117.1
C356—C357—C360	123 (2)	C399—C400—C401	119 (2)
C356—C357—C358	115 (2)	C399—C400—H400	120.3
C358—C357—C360	121 (2)	C401—C400—H400	120.3
C354—N318—Zn35	120.9 (12)	C327—C331—C330	120 (3)
C354—N318—C350	118.2 (16)	C327—C331—H331	120.1
C354—N318—Zn45	122.1 (12)	C330—C331—H331	120.1
C350—N318—Zn35	120.2 (12)	C12A—C11A—H11A	119.9
C350—N318—Zn45	118.7 (12)	C10A—C11A—C12A	120 (2)
Zn31^iv—N311—Zn51^iv	39 (2)	C10A—C11A—H11A	119.9
C329—N311—Zn31^iv	116 (2)	C4A—C5A—C13A	120.4 (15)
C329—N311—C330	121 (2)	C6A—C5A—C4A	118.0 (13)
C329—N311—Zn41^iv	133 (2)	C6A—C5A—C13A	121.4 (16)
C329—N311—Zn51^iv	155 (3)	N312—C332—C333	124 (2)
C330—N311—Zn31^iv	122.1 (19)	N312—C332—H332	118.2
C330—N311—Zn41^iv	105.0 (19)	C333—C332—H332	118.2
C330—N311—Zn51^iv	83 (3)	N307—C323—H323	118.4
Zn41^iv—N311—Zn51^iv	22 (2)	N307—C323—C322	123 (2)
C405—C406—C398	124.4 (16)	C322—C323—H323	118.4
C405—C406—C407	115.7 (18)	O2A—C14A—H14A	109.5
C407—C406—C398	120 (2)	O2A—C14A—H14B	109.5
C340—C339—C342	120.1 (15)	O2A—C14A—H14C	109.5
C340—C339—C338	116.6 (16)	H14A—C14A—H14B	109.5
C338—C339—C342	123.3 (17)	H14A—C14A—H14C	109.5
C406—C405—H405	118.1	H14B—C14A—H14C	109.5
C406—C405—C404	123.8 (19)	C12A—C7A—C4A	120.7 (17)
C404—C405—H405	118.1	C8A—C7A—C4A	120.4 (17)
N321—C360—C357	116 (2)	C8A—C7A—C12A	118.8 (17)
N320—C360—N321	126.4 (19)	C8A—C9A—H9A	120.7
N320—C360—C357	117.5 (18)	C10A—C9A—H9A	120.7
N316—C344—N314	127.3 (16)	C10A—C9A—C8A	118.7 (19)
N316—C344—C352	119.8 (16)	O2A—C8A—C7A	115.8 (16)
N314—C344—C352	112.8 (16)	O2A—C8A—C9A	122.4 (19)
C314—N306—Zn33	122.1 (14)	C7A—C8A—C9A	121.8 (18)
C314—N306—C318	116.4 (17)	C321—C322—H322	121.1
C314—N306—Zn43	126.0 (14)	C323—C322—C321	118 (3)
C314—N306—Zn26	124 (3)	C323—C322—H322	121.1
C318—N306—Zn33	121.1 (14)	O1A—C13A—C5A	112.9 (17)
C318—N306—Zn43	116.7 (14)	O1A—C13A—H13A	109.0
C318—N306—Zn26	111 (3)	O1A—C13A—H13B	109.0
N302—C306—N303	127.5 (16)	C5A—C13A—H13A	109.0
N302—C306—C303	118.1 (14)	C5A—C13A—H13B	109.0
N303—C306—C303	114.4 (13)	H13A—C13A—H13B	107.8
C384—C385—H385	119.2	N336^i—Zn48—I416	105.6 (9)
C381—C385—H385	119.2	N336^i—Zn48—I415	107.8 (10)
C381—C385—C384	121.7 (15)	N329—Zn48—N336^i	93.8 (9)
C347—N317—Zn36^v	123.7 (12)	N329—Zn48—I416	113.8 (9)
C347—N317—C348	114.9 (16)	N329—Zn48—I415	103.2 (10)
C347—N317—Zn46^v	119.4 (13)	I415—Zn48—I416	127.5 (9)
C347—N317—Zn56	108 (2)	N323—Zn46—I412	107.9 (8)
C348—N317—Zn36^v	121.3 (13)	N323—Zn46—I411	107.7 (8)
C348—N317—Zn46^v	125.4 (13)	N317^ii—Zn46—N323	103.7 (10)
C348—N317—Zn56	126 (2)	N317^ii—Zn46—I412	101.6 (7)
N330—C390—H390	117.3	N317^ii—Zn46—I411	111.1 (9)
N330—C390—C389	125.4 (18)	I411—Zn46—I412	123.2 (7)
C389—C390—H390	117.3	N331—Zn49—I418	102.3 (8)
N321—C361—N322	123.3 (18)	N331—Zn49—I417	111.2 (8)
N321—C361—C363	117 (2)	N330—Zn49—N331	102.2 (7)
N322—C361—C363	120.0 (17)	N330—Zn49—I418	106.2 (7)
C325—N310—C326	115.2 (19)	N330—Zn49—I417	108.5 (8)
C402—N335—Zn32^vi	127.8 (18)	I417—Zn49—I418	124.2 (6)
C402—N335—Zn42^vi	117.8 (19)	N307—Zn43—I406	106.4 (8)
C401—N335—Zn32^vi	115.6 (18)	N307—Zn43—I405	108.1 (9)
C401—N335—C402	116 (2)	N306—Zn43—N307	101.1 (8)
C401—N335—Zn42^vi	125.8 (19)	N306—Zn43—I406	104.5 (7)
N315—C342—N314	126.4 (16)	N306—Zn43—I405	108.6 (9)
N315—C342—C339	119.7 (15)	I405—Zn43—I406	125.6 (7)
N314—C342—C339	113.8 (16)	N319—Zn45—N318	98.4 (7)
C376—C375—C378	120.0 (14)	N319—Zn45—I410	105.2 (7)
C376—C375—C374	117.7 (14)	N319—Zn45—I409	109.1 (7)
C374—C375—C378	122.3 (14)	N318—Zn45—I410	108.3 (7)
N336—C404—C405	120 (2)	N318—Zn45—I409	104.4 (8)
N336—C404—H404	120.0	I409—Zn45—I410	127.7 (4)
C405—C404—H404	120.0	N305—Zn42—I404	113.7 (9)
C304—C303—C306	121.8 (16)	N305—Zn42—I403	99.9 (9)
C302—C303—C306	120.3 (15)	N335^iii—Zn42—N305	102.7 (10)
C302—C303—C304	117.9 (17)	N335^iii—Zn42—I404	112.7 (10)
N302—C308—C316	117.8 (15)	N335^iii—Zn42—I403	102.3 (11)
N304—C308—N302	124.9 (16)	I403—Zn42—I404	123.0 (8)
N304—C308—C316	117.3 (16)	N301—Zn41—I401	98.4 (9)
N309—C324—N308	125 (2)	N301—Zn41—I402	111.7 (12)
N309—C324—C321	119 (2)	N311^i—Zn41—N301	98.7 (10)
N308—C324—C321	116.6 (17)	N311^i—Zn41—I401	98.2 (12)
C389—C388—C380	118.4 (15)	N311^i—Zn41—I402	116.0 (13)
C387—C388—C380	122.0 (15)	I401—Zn41—I402	128.9 (11)
C387—C388—C389	119.3 (16)	N317—Zn56—I512	89 (2)
C372—N324—Zn37	120 (2)	N317—Zn56—I511	134 (3)
C372—N324—C368	119 (3)	I511—Zn56—I512	128 (3)
C372—N324—Zn47	107 (2)	N313—Zn44—I407	103.5 (8)
C372—N324—Zn57	129 (3)	N313—Zn44—I408	111.5 (9)
C368—N324—Zn37	120.5 (18)	N312—Zn44—N313	103.3 (10)
C368—N324—Zn47	133.6 (18)	N312—Zn44—I407	104.8 (9)
C368—N324—Zn57	112 (3)	N312—Zn44—I408	108.6 (9)
N309—C325—C327	117 (2)	I407—Zn44—I408	123.2 (8)
N310—C325—N309	125.6 (18)	N301—Zn51—N311^i	84 (3)
N310—C325—C327	117 (2)	N301—Zn51—C330^i	97 (4)
N331—C395—H395	119.4	N301—Zn51—I502	117 (4)
N331—C395—C394	121 (2)	N301—Zn51—I501	92 (3)
C394—C395—H395	119.4	N311^i—Zn51—C330^i	30.7 (17)
N329—C384—C385	121.6 (17)	N311^i—Zn51—I502	138 (5)
N329—C384—H384	119.2	N311^i—Zn51—I501	88 (3)
C385—C384—H384	119.2	I502—Zn51—I501	124 (5)
N303—C307—N304	126.9 (15)	N306—Zn26—N307	70 (3)
N303—C307—C309	114.5 (14)	I20—Zn26—N307	99 (5)
N304—C307—C309	118.2 (15)	I20—Zn26—N306	95 (5)
N317—C347—H347	117.7	I20—Zn26—I36	134 (6)
N317—C347—C346	124.6 (16)	I36—Zn26—N307	120 (4)
C346—C347—H347	117.7	I36—Zn26—N306	119 (5)
C395—C394—H394	120.3	N319—Zn55—I509	85 (4)
C393—C394—C395	119.4 (18)	N319—Zn55—I510	136 (5)
C393—C394—H394	120.3	I510—Zn55—I509	139 (3)
C385—C381—C379	121.5 (16)	C11A—C10A—C9A	120.8 (19)
C382—C381—C385	117.2 (15)	C11A—C10A—H10A	119.6
C382—C381—C379	121.3 (15)	C9A—C10A—H10A	119.6
N325—C373—H373	117.0	N325—Zn47—N324	102.3 (9)
N325—C373—C374	126.0 (16)	N325—Zn47—I413	102.5 (8)
C374—C373—H373	117.0	N325—Zn47—I414	111.0 (9)
C317—C316—C308	122.4 (16)	N324—Zn47—I413	98.1 (9)
C317—C316—C315	117.3 (18)	N324—Zn47—I414	122.4 (9)
C315—C316—C308	120.3 (17)	I414—Zn47—I413	117.8 (9)
C348—C349—H349	119.7	N325—Zn57—I513	112 (3)
C348—C349—C345	120.7 (17)	N325—Zn57—I514	94 (3)
C345—C349—H349	119.7	N324—Zn57—N325	98 (4)
C303—C304—H304	120.6	N324—Zn57—I513	117 (4)
C303—C304—C305	118.8 (18)	N324—Zn57—I514	95 (3)
C305—C304—H304	120.6	I513—Zn57—I514	135 (5)
C339—C340—H340	118.8	O3A—C15A—H15A	109.5
C339—C340—C341	122.4 (19)	O3A—C15A—H15B	109.5
C341—C340—H340	118.8	O3A—C15A—H15C	109.5
N317—C348—H348	117.7	H15A—C15A—H15B	109.5
C349—C348—N317	124.6 (19)	H15A—C15A—H15C	109.5
C349—C348—H348	117.7	H15B—C15A—H15C	109.5
C351—C352—C344	120.6 (15)	N301—Zn61—I601	132 (5)
C351—C352—C353	120.9 (16)	N301—Zn61—I602	92 (4)
C353—C352—C344	118.6 (16)	I602—Zn61—I601	120 (4)
N319—C355—H355	118.1	H80A—C808—H80B	108.0
N319—C355—C356	124 (2)	C807—C808—H80A	109.3
C356—C355—H355	118.1	C807—C808—H80B	109.3
C394—C393—C396	121.9 (16)	C809—C808—H80A	109.3
C394—C393—C392	119 (2)	C809—C808—H80B	109.3
C392—C393—C396	119 (2)	C809—C808—C807	111 (2)
N323—C365—H365	118.9	C808—C807—H80C	109.4
N323—C365—C364	122 (3)	C808—C807—H80D	109.4
C364—C365—H365	118.9	H80C—C807—H80D	108.0
N328—C380—N326	124.8 (14)	C812—C807—C808	111.3 (19)
N328—C380—C388	118.7 (13)	C812—C807—H80C	109.4
N326—C380—C388	116.4 (14)	C812—C807—H80D	109.4
C310—C309—C307	119.8 (15)	C807—C812—H81A	109.1
C310—C309—C313	118.0 (17)	C807—C812—H81B	109.1
C313—C309—C307	122.2 (17)	H81A—C812—H81B	107.9
C316—C317—H317	120.5	C811—C812—C807	112.3 (19)
C318—C317—C316	119.0 (18)	C811—C812—H81A	109.1
C318—C317—H317	120.5	C811—C812—H81B	109.1
C12A—O3A—C15A	117 (2)	C812—C811—H81C	109.2
C349—C345—C343	123.0 (15)	C812—C811—H81D	109.2
C346—C345—C349	113.8 (16)	C812—C811—C810	111.9 (19)
C346—C345—C343	123.2 (17)	H81C—C811—H81D	107.9
C320—C321—C324	122.4 (18)	C810—C811—H81C	109.2
C320—C321—C322	116 (2)	C810—C811—H81D	109.2
C322—C321—C324	121 (2)	C811—C810—H81E	109.1
C357—C356—C355	121 (2)	C811—C810—H81F	109.1
C357—C356—H356	119.7	H81E—C810—H81F	107.9
C355—C356—H356	119.7	C809—C810—C811	112 (2)
N327—C379—C381	117.9 (14)	C809—C810—H81E	109.1
N328—C379—N327	122.8 (14)	C809—C810—H81F	109.1
N328—C379—C381	119.0 (15)	C808—C809—H80E	109.1
C328—C327—C325	124 (2)	C808—C809—H80F	109.1
C328—C327—C331	115 (2)	C810—C809—C808	112.3 (19)
C331—C327—C325	121 (3)	C810—C809—H80E	109.1
N301—C305—C304	122.4 (18)	C810—C809—H80F	109.1
N301—C305—H305	118.8	H80E—C809—H80F	107.9
C304—C305—H305	118.8	H80G—C806—H80H	108.1
N318—C354—H354	118.8	C805—C806—H80G	109.5
N318—C354—C353	122.4 (17)	C805—C806—H80H	109.5
C353—C354—H354	118.8	C805—C806—C801	111 (2)
C375—C376—H376	120.3	C801—C806—H80G	109.5
C377—C376—C375	119.4 (16)	C801—C806—H80H	109.5
C377—C376—H376	120.3	C806—C805—H80I	109.3
C327—C328—H328	117.1	C806—C805—H80J	109.3
C327—C328—C329	126 (2)	C806—C805—C804	111.5 (19)
C329—C328—H328	117.1	H80I—C805—H80J	108.0
C13A—O1A—H1A	109.5	C804—C805—H80I	109.3
C303—C302—H302	120.0	C804—C805—H80J	109.3
C303—C302—C301	120.0 (16)	C805—C804—H80K	109.5
C301—C302—H302	120.0	C805—C804—H80L	109.5
N313—C341—C340	117.8 (19)	H80K—C804—H80L	108.1
N313—C341—H341	121.1	C803—C804—C805	110.9 (19)
C340—C341—H341	121.1	C803—C804—H80K	109.5
C8A—O2A—C14A	116 (2)	C803—C804—H80L	109.5
N323—C366—H366	117.4	C804—C803—H80M	109.7
N323—C366—C367	125.1 (19)	C804—C803—H80N	109.7
C367—C366—H366	117.4	C804—C803—C802	109.9 (19)
C369—C370—C362	122 (2)	H80M—C803—H80N	108.2
C369—C370—C371	119 (3)	C802—C803—H80M	109.7
C371—C370—C362	120 (2)	C802—C803—H80N	109.7
N320—C362—C370	118 (2)	C803—C802—H80O	109.5
N322—C362—N320	128 (3)	C803—C802—H80P	109.5
N322—C362—C370	115 (2)	C803—C802—C801	110.6 (18)
N306—C314—H314	117.7	H80O—C802—H80P	108.1
N306—C314—C315	125 (2)	C801—C802—H80O	109.5
C315—C314—H314	117.7	C801—C802—H80P	109.5
N308—C326—N310	127 (2)	C806—C801—C802	110.7 (19)
N308—C326—C334	117 (2)	C806—C801—H80Q	109.5
N310—C326—C334	116.3 (19)	C806—C801—H80R	109.5
C321—C320—H320	118.2	C802—C801—H80Q	109.5
C321—C320—C319	124 (2)	C802—C801—H80R	109.5
C319—C320—H320	118.2	H80Q—C801—H80R	108.1
N307—C319—C320	120 (2)
Zn38^iv—N336—C404—C405	173.1 (13)	C317—C316—C315—C314	0 (4)
Zn38^iv—N336—C408—C407	−174.2 (17)	O3A—C12A—C11A—C10A	−180 (2)
Zn38—N329—C384—C385	178 (2)	O3A—C12A—C7A—C4A	2 (3)
Zn38—N329—C383—C382	−179 (2)	O3A—C12A—C7A—C8A	179.5 (19)
Zn39—N331—C395—C394	178.7 (14)	C345—C349—C348—N317	4 (4)
Zn39—N331—C391—C392	177 (2)	C321—C320—C319—N307	−3 (4)
Zn39—N330—C390—C389	−175 (2)	C356—C357—C360—N321	−3 (3)
Zn39—N330—C386—C387	176 (2)	C356—C357—C360—N320	−178.8 (19)
Zn36—N323—C365—C364	175.4 (15)	C356—C357—C358—C359	−4 (4)
Zn36—N323—C366—C367	−175.4 (18)	C379—N327—C378—N326	2 (3)
Zn36^v—N317—C347—C346	−173 (2)	C379—N327—C378—C375	−172.5 (18)
Zn36^v—N317—C348—C349	172 (2)	C379—N328—C380—N326	2 (3)
Zn35—N319—C355—C356	172.0 (14)	C379—N328—C380—C388	−174 (2)
Zn35—N319—C359—C358	−172 (2)	C379—C381—C382—C383	179 (2)
Zn35—N318—C354—C353	−173 (2)	C327—C328—C329—N311	0 (3)
Zn35—N318—C350—C351	172 (3)	C305—N301—C301—C302	−3 (5)
Zn33—N307—C319—C320	178.8 (17)	C354—N318—C350—C351	2 (5)
Zn33—N307—C323—C322	−174 (3)	C376—C375—C374—C373	2 (3)
Zn33—N306—C314—C315	177 (2)	C328—C327—C331—C330	0 (4)
Zn33—N306—C318—C317	−176 (2)	C302—C303—C304—C305	−2 (4)
Zn34—N313—C341—C340	178 (2)	C341—N313—C337—C338	3 (4)
Zn34—N313—C337—C338	−180 (2)	C366—N323—C365—C364	−8 (3)
Zn34—N312—C336—C335	170 (3)	C370—C369—C368—N324	−1 (4)
Zn34—N312—C332—C333	−177 (3)	C362—N320—C360—N321	−2 (3)
Zn37—N325—C373—C374	−177.6 (19)	C362—N320—C360—C357	173.3 (17)
Zn37—N325—C377—C376	−178 (2)	C362—N322—C361—N321	2 (2)
Zn37—N324—C372—C371	178 (2)	C362—N322—C361—C363	−177.5 (17)
Zn37—N324—C368—C369	−178.6 (19)	C362—C370—C369—C368	178 (2)
Zn32—N305—C312—C313	178.2 (19)	C362—C370—C371—C372	−178 (2)
Zn32—N305—C311—C310	−180 (100)	C314—N306—C318—C317	−3 (4)
Zn32^vi—N335—C402—C403	−173 (3)	C326—N308—C324—N309	−3 (3)
Zn32^vi—N335—C401—C400	175 (3)	C326—N308—C324—C321	176.1 (18)
Zn31—N301—C305—C304	−168 (2)	C326—N310—C325—N309	−1 (3)
Zn31—N301—C301—C302	169 (2)	C326—N310—C325—C327	−174.2 (18)
Zn31^iv—N311—C329—C328	−174.1 (14)	C326—C334—C335—C336	179 (3)
Zn31^iv—N311—C330—C331	174 (2)	C326—C334—C333—C332	175 (3)
N332—C398—N334—C397	−1 (2)	C320—C321—C322—C323	3 (5)
N332—C398—C406—C405	10 (2)	C319—N307—C323—C322	5 (6)
N332—C398—C406—C407	−167.6 (16)	C334—C335—C336—N312	6 (6)
N332—C396—N333—C397	−3 (3)	C334—C333—C332—N312	8 (6)
N332—C396—C393—C394	23 (2)	C399—C403—C402—N335	0 (5)
N332—C396—C393—C392	−150 (2)	C346—C345—C343—N315	0 (4)
N327—C378—C375—C376	165 (2)	C346—C345—C343—N316	−178 (2)
N327—C378—C375—C374	−13 (3)	C374—C375—C376—C377	2 (4)
N336—C408—C407—C406	1 (3)	C367—C363—C361—N321	174.3 (16)
N326—C378—C375—C376	−10 (3)	C367—C363—C361—N322	−6 (3)
N326—C378—C375—C374	172 (2)	C367—C363—C364—C365	7 (3)
N302—C306—C303—C304	2 (3)	C377—N325—C373—C374	5 (4)
N302—C306—C303—C302	−176 (2)	C337—N313—C341—C340	−4 (4)
N302—C308—C316—C317	−179 (2)	C397—C399—C403—C402	−178 (3)
N302—C308—C316—C315	5 (3)	C397—C399—C400—C401	179 (3)
N303—C306—C303—C304	−179 (2)	C389—C388—C380—N328	−12 (3)
N303—C306—C303—C302	3 (3)	C389—C388—C380—N326	171 (2)
N303—C307—C309—C310	11 (3)	C389—C388—C387—C386	3 (4)
N303—C307—C309—C313	−170 (2)	C343—N315—C342—N314	2 (4)
N319—C355—C356—C357	−2 (3)	C343—N315—C342—C339	−174 (2)
N319—C359—C358—C357	1 (4)	C343—N316—C344—N314	0 (3)
C398—N332—C396—N333	−1 (2)	C343—N316—C344—C352	178 (2)
C398—N332—C396—C393	177.2 (14)	C343—C345—C346—C347	178 (3)
C398—N334—C397—N333	−3 (2)	C312—N305—C311—C310	2 (4)
C398—N334—C397—C399	−180.0 (15)	C351—C352—C353—C354	−2 (4)
C398—C406—C405—C404	−174.7 (16)	C383—N329—C384—C385	−4 (4)
C398—C406—C407—C408	174.1 (18)	C353—C352—C351—C350	2 (5)
N331—C395—C394—C393	1 (3)	C364—C363—C361—N321	−1 (3)
N331—C391—C392—C393	7 (5)	C364—C363—C361—N322	178.2 (17)
N334—C398—C406—C405	−167.6 (17)	C364—C363—C367—C366	−7 (3)
N334—C398—C406—C407	14 (2)	C315—C316—C317—C318	0 (4)
N329—C383—C382—C381	0 (4)	C311—N305—C312—C313	−4 (4)
N330—C390—C389—C388	3 (4)	C318—N306—C314—C315	3 (4)
N325—C373—C374—C375	−5 (4)	C3A—C2A—C1A—C6A	1 (4)
N313—C337—C338—C339	1 (4)	C3A—C4A—C5A—C6A	−3 (4)
N309—C324—C321—C320	−16 (3)	C3A—C4A—C5A—C13A	−178 (3)
N309—C324—C321—C322	162 (2)	C3A—C4A—C7A—C12A	107 (2)
N309—C325—C327—C328	−6 (3)	C3A—C4A—C7A—C8A	−70 (3)
N309—C325—C327—C331	168 (2)	C301—N301—C305—C304	4 (4)
N316—C344—C352—C351	−169 (3)	C338—C339—C342—N315	6 (4)
N316—C344—C352—C353	11 (4)	C338—C339—C342—N314	−170 (2)
N305—C312—C313—C309	5 (4)	C338—C339—C340—C341	0 (4)
N305—C311—C310—C309	−1 (5)	C382—C381—C379—N327	6 (3)
C396—N332—C398—N334	3 (2)	C382—C381—C379—N328	−179 (2)
C396—N332—C398—C406	−174.6 (13)	C310—C309—C313—C312	−4 (4)
C396—N333—C397—N334	5 (3)	C408—N336—C404—C405	−3 (3)
C396—N333—C397—C399	−178.1 (16)	C350—N318—C354—C353	−3 (4)
C396—C393—C392—C391	173 (3)	C407—C406—C405—C404	3 (3)
N333—C396—C393—C394	−158.3 (18)	C387—C388—C380—N328	173 (2)
N333—C396—C393—C392	28 (3)	C387—C388—C380—N326	−3 (3)
N304—C308—C316—C317	0 (3)	C387—C388—C389—C390	−3 (3)
N304—C308—C316—C315	−177 (2)	C329—N311—C330—C331	3 (5)
N304—C307—C309—C310	−177 (2)	C329—N311—C330—Zn51^iv	−174 (3)
N304—C307—C309—C313	3 (4)	C386—N330—C390—C389	−3 (4)
N314—C344—C352—C351	10 (3)	C372—N324—C368—C369	3 (4)
N314—C344—C352—C353	−170 (2)	C2A—C3A—C4A—C5A	2 (4)
N323—C365—C364—C363	1 (3)	C2A—C3A—C4A—C7A	−178 (2)
N323—C366—C367—C363	0 (3)	C369—C370—C362—N320	−20 (3)
N307—C323—C322—C321	−7 (6)	C369—C370—C362—N322	155 (2)
C378—N327—C379—N328	1 (3)	C369—C370—C371—C372	0 (4)
C378—N327—C379—C381	175.1 (19)	C4A—C3A—C2A—C1A	−1 (4)
C378—N326—C380—N328	0 (3)	C4A—C5A—C13A—O1A	−157 (2)
C378—N326—C380—C388	176.7 (19)	C4A—C7A—C8A—O2A	−4 (3)
C378—C375—C376—C377	−176 (2)	C4A—C7A—C8A—C9A	178 (2)
C378—C375—C374—C373	180 (2)	C313—C309—C310—C311	3 (4)
N308—C324—C321—C320	165 (2)	C403—C399—C397—N334	−17 (3)
N308—C324—C321—C322	−17 (3)	C403—C399—C397—N333	166 (2)
N308—C326—C334—C335	−169 (3)	C403—C399—C400—C401	3 (4)
N308—C326—C334—C333	12 (4)	C391—N331—C395—C394	5 (3)
N318—C354—C353—C352	3 (4)	C359—N319—C355—C356	−1 (3)
N311—C330—C331—C327	−2 (5)	C359—N319—Zn55—I509	−170 (2)
C406—C398—N334—C397	176.3 (14)	C359—N319—Zn55—I510	9 (6)
C406—C405—C404—N336	0 (3)	C358—C357—C360—N321	179 (2)
C339—C340—C341—N313	3 (4)	C358—C357—C360—N320	3 (3)
C405—C406—C407—C408	−4 (3)	C358—C357—C356—C355	4 (3)
C360—N321—C361—N322	−2 (2)	C335—C334—C333—C332	−4 (5)
C360—N321—C361—C363	177.9 (14)	C6A—C5A—C13A—O1A	28 (4)
C360—N320—C362—N322	2 (3)	C1A—C6A—C5A—C4A	4 (4)
C360—N320—C362—C370	176.5 (17)	C1A—C6A—C5A—C13A	179 (3)
C360—C357—C356—C355	−173.6 (18)	C330—N311—C329—C328	−2 (3)
C360—C357—C358—C359	174 (2)	C402—N335—C401—C400	0 (5)
C344—N316—C343—N315	−3 (4)	C401—N335—C402—C403	1 (5)
C344—N316—C343—C345	175 (2)	C371—C370—C362—N320	158 (2)
C344—N314—C342—N315	−4 (4)	C371—C370—C362—N322	−26 (3)
C344—N314—C342—C339	172 (2)	C371—C370—C369—C368	0 (4)
C344—C352—C351—C350	−178 (3)	C368—N324—C372—C371	−3 (4)
C344—C352—C353—C354	178 (2)	C12A—C11A—C10A—C9A	−1 (3)
N306—C314—C315—C316	−2 (4)	C12A—C7A—C8A—O2A	179.3 (17)
C306—N302—C308—N304	−2 (3)	C12A—C7A—C8A—C9A	1 (3)
C306—N302—C308—C316	177 (2)	C333—C334—C335—C336	−2 (5)
C306—N303—C307—N304	−3 (3)	C336—N312—C332—C333	−4 (5)
C306—N303—C307—C309	168.9 (19)	C400—C399—C397—N334	168 (2)
C306—C303—C304—C305	−180 (2)	C400—C399—C397—N333	−10 (3)
C306—C303—C302—C301	−179 (3)	C400—C399—C403—C402	−2 (4)
C385—C381—C379—N327	−175 (2)	C331—C327—C328—C329	0 (4)
C385—C381—C379—N328	0 (3)	C11A—C12A—C7A—C4A	−177.1 (19)
C385—C381—C382—C383	0 (4)	C11A—C12A—C7A—C8A	0 (2)
N317—C347—C346—C345	−1 (5)	C5A—C4A—C7A—C12A	−73 (3)
C390—N330—C386—C387	4 (4)	C5A—C4A—C7A—C8A	110 (2)
C361—N321—C360—N320	2 (2)	C5A—C6A—C1A—C2A	−2 (4)
C361—N321—C360—C357	−173.5 (15)	C332—N312—C336—C335	−2 (6)
C361—N322—C362—N320	−2 (3)	C323—N307—C319—C320	0 (4)
C361—N322—C362—C370	−176.8 (16)	C14A—O2A—C8A—C7A	−174 (2)
C361—C363—C367—C366	177.0 (18)	C14A—O2A—C8A—C9A	5 (3)
C361—C363—C364—C365	−177.2 (17)	C7A—C4A—C5A—C6A	176 (2)
N310—C325—C327—C328	168 (2)	C7A—C4A—C5A—C13A	1 (4)
N310—C325—C327—C331	−19 (3)	C7A—C12A—C11A—C10A	−0.2 (18)
N310—C326—C334—C335	10 (4)	C8A—C9A—C10A—C11A	2 (3)
N310—C326—C334—C333	−169 (3)	C322—C321—C320—C319	1 (4)
N335—C401—C400—C399	−2 (5)	Zn48^iv—N336—C404—C405	174.1 (13)
C342—N315—C343—N316	2 (4)	Zn48^iv—N336—C408—C407	−175.0 (17)
C342—N315—C343—C345	−176 (2)	Zn48—N329—C384—C385	171 (2)
C342—N314—C344—N316	3 (4)	Zn48—N329—C383—C382	−172 (2)
C342—N314—C344—C352	−175 (2)	Zn46—N323—C365—C364	170.9 (16)
C342—C339—C340—C341	180 (2)	Zn46—N323—C366—C367	−171.0 (18)
C342—C339—C338—C337	178 (2)	Zn46^v—N317—C347—C346	−170 (2)
C375—C376—C377—N325	−3 (4)	Zn46^v—N317—C348—C349	168 (2)
C404—N336—C408—C407	3 (3)	Zn49—N331—C395—C394	177.6 (14)
C303—C304—C305—N301	−2 (4)	Zn49—N331—C391—C392	179 (2)
C303—C302—C301—N301	−1 (5)	Zn49—N330—C390—C389	−174 (2)
C308—N302—C306—N303	0 (3)	Zn49—N330—C386—C387	176 (2)
C308—N302—C306—C303	178.5 (18)	Zn43—N307—C319—C320	−178.9 (18)
C308—N304—C307—N303	2 (3)	Zn43—N307—C323—C322	−176 (3)
C308—N304—C307—C309	−170 (2)	Zn43—N306—C314—C315	172 (2)
C308—C316—C317—C318	−177 (2)	Zn43—N306—C318—C317	−173 (2)
C308—C316—C315—C314	177 (2)	Zn45—N319—C355—C356	171.8 (14)
C324—N309—C325—N310	−3 (3)	Zn45—N319—C359—C358	−171 (2)
C324—N309—C325—C327	169.7 (17)	Zn45—N318—C354—C353	−171 (2)
C324—N308—C326—N310	−2 (3)	Zn45—N318—C350—C351	171 (3)
C324—N308—C326—C334	176.7 (18)	Zn42—N305—C312—C313	175 (2)
C324—C321—C320—C319	179 (2)	Zn42—N305—C311—C310	−177 (2)
C324—C321—C322—C323	−175 (3)	Zn42^vi—N335—C402—C403	178 (3)
C388—C387—C386—N330	−4 (4)	Zn42^vi—N335—C401—C400	−176 (3)
N324—C372—C371—C370	1 (4)	Zn41—N301—C305—C304	174 (2)
C325—N309—C324—N308	6 (3)	Zn41—N301—C301—C302	−172 (2)
C325—N309—C324—C321	−173.7 (17)	Zn41^iv—N311—C329—C328	−172.4 (16)
C325—N310—C326—N308	4 (3)	Zn41^iv—N311—C330—C331	176 (3)
C325—N310—C326—C334	−174.5 (18)	Zn56—N317—C347—C346	−143 (3)
C325—C327—C328—C329	174 (2)	Zn56—N317—C348—C349	135 (3)
C325—C327—C331—C330	−174 (3)	Zn44—N313—C341—C340	178.8 (19)
C395—N331—C391—C392	−9 (4)	Zn44—N313—C337—C338	180 (2)
C395—C394—C393—C396	−176.4 (17)	Zn44—N312—C336—C335	175 (3)
C395—C394—C393—C392	−3 (3)	Zn44—N312—C332—C333	179 (3)
C384—N329—C383—C382	2 (4)	Zn51—N301—C305—C304	153 (3)
C384—C385—C381—C379	180 (2)	Zn51—N301—C301—C302	−145 (4)
C384—C385—C381—C382	−1 (4)	Zn51^iv—N311—C329—C328	−168 (7)
C307—N303—C306—N302	2 (3)	Zn51^iv—N311—C330—C331	177 (4)
C307—N303—C306—C303	−176.5 (18)	Zn26—N307—C319—C320	175 (3)
C307—N304—C308—N302	1 (3)	Zn26—N307—C323—C322	−168 (4)
C307—N304—C308—C316	−177 (2)	Zn26—N306—C314—C315	147 (4)
C307—C309—C310—C311	−178 (3)	Zn26—N306—C318—C317	−151 (4)
C307—C309—C313—C312	176 (2)	Zn55—N319—C355—C356	−167 (6)
C347—N317—C348—C349	−5 (4)	Zn55—N319—C359—C358	174 (4)
C394—C393—C392—C391	−1 (4)	C10A—C9A—C8A—O2A	180 (2)
C381—C385—C384—N329	4 (4)	C10A—C9A—C8A—C7A	−2 (3)
C373—N325—C377—C376	0 (4)	Zn47—N325—C373—C374	−176 (2)
C316—C317—C318—N306	1 (4)	Zn47—N325—C377—C376	−180 (100)
C349—C345—C346—C347	0 (4)	Zn47—N324—C372—C371	172 (2)
C349—C345—C343—N315	179 (2)	Zn47—N324—C368—C369	−169.8 (19)
C349—C345—C343—N316	1 (4)	Zn57—N325—C373—C374	−179 (4)
C304—C303—C302—C301	3 (4)	Zn57—N325—C377—C376	−177 (4)
C340—C339—C342—N315	−174 (2)	Zn57—N324—C372—C371	−177 (4)
C340—C339—C342—N314	10 (3)	Zn57—N324—C368—C369	178 (3)
C340—C339—C338—C337	−2 (4)	C15A—O3A—C12A—C11A	3 (3)
C348—N317—C347—C346	4 (4)	C15A—O3A—C12A—C7A	−176 (2)
C348—C349—C345—C346	−1 (4)	Zn61—N301—C305—C304	−137 (4)
C348—C349—C345—C343	−180 (3)	Zn61—N301—C301—C302	140 (4)
C352—C351—C350—N318	−1 (5)	C808—C807—C812—C811	−54 (5)
C355—N319—C359—C358	2 (4)	C807—C808—C809—C810	−54 (5)
C355—N319—Zn55—I509	−3 (7)	C807—C812—C811—C810	53 (5)
C355—N319—Zn55—I510	176 (3)	C812—C811—C810—C809	−52 (5)
C393—C396—N333—C397	179.2 (15)	C811—C810—C809—C808	53 (5)
C365—N323—C366—C367	7 (3)	C809—C808—C807—C812	55 (5)
C380—N328—C379—N327	−3 (3)	C806—C805—C804—C803	56 (4)
C380—N328—C379—C381	−177.0 (19)	C805—C806—C801—C802	56 (4)
C380—N326—C378—N327	−3 (3)	C805—C804—C803—C802	−57 (4)
C380—N326—C378—C375	171.7 (19)	C804—C803—C802—C801	58 (4)
C380—C388—C389—C390	−178 (2)	C803—C802—C801—C806	−58 (4)
C380—C388—C387—C386	178 (2)	C801—C806—C805—C804	−55 (5)

Symmetry codes: (i) x, −y+2, z−1/2; (ii) x, −y+1, z−1/2; (iii) x−1/2, −y+5/2, z−1/2; (iv) x, −y+2, z+1/2; (v) x, −y+1, z+1/2; (vi) x+1/2, −y+5/2, z+1/2.

catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexachloro-tri-zinc (25_1_24b)

Crystal data

C36H24I6N12Zn3	F(000) = 5856
Mr = 1582.18	Dx = 1.361 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.4567 (17) Å	Cell parameters from 7111 reflections
b = 15.0045 (4) Å	θ = 3.0–67.7°
c = 30.444 (2) Å	µ = 20.13 mm^−1
β = 101.219 (6)°	T = 100 K
V = 15438.9 (14) Å^3	Block, colourless
Z = 8	0.2 × 0.11 × 0.04 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	14055 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	8775 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.060
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −41→35
Absorption correction: analytical CrysAlisPro 1.171.41.122a (Rigaku Oxford Diffraction, 2021) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −18→15
Tmin = 0.123, Tmax = 0.469	l = −36→36
51251 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.079	H-atom parameters constrained
wR(F^2) = 0.277	w = 1/[σ^2(Fo^2) + (0.1744P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.09	(Δ/σ)max = 0.002
14055 reflections	Δρmax = 1.05 e Å^−3
625 parameters	Δρmin = −0.73 e Å^−3
27 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. No guests or solvent were identified from the electron density map, SQUEEZE has been applied to address the residual electron density within the pore. SQUEEZE analysis indicated one void with a volume of 892 Ang**3 and an electron count of 243. This is equivalent to 5.06 cyclohexane molecules or 1.87 BBA-8,12-OMe molecules.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I304	0.47851 (18)	0.3517 (5)	0.3714 (2)	0.195 (3)	0.4304
I303	0.37809 (18)	0.2688 (3)	0.4388 (2)	0.197 (3)	0.4304
I502	0.1279 (5)	0.2756 (13)	0.0584 (6)	0.080*	0.0336 (15)
I501	0.1676 (6)	0.4677 (13)	−0.0341 (5)	0.080*	0.0336 (15)
I305	0.26919 (14)	0.7649 (3)	0.71178 (13)	0.1017 (9)	0.4206
I306	0.37568 (17)	0.8415 (3)	0.80916 (17)	0.1170 (12)	0.4206
Zn32	0.41938 (13)	0.3784 (3)	0.40678 (19)	0.078 (3)	0.4304
Zn51	0.1422 (10)	0.4335 (18)	0.0365 (6)	0.080*	0.0336 (15)
Zn33	0.32972 (17)	0.8602 (4)	0.7325 (2)	0.0861 (19)	0.4206
N304	0.31929 (19)	0.6808 (4)	0.2502 (3)	0.085 (2)
N302	0.2803 (2)	0.5520 (4)	0.2263 (3)	0.087 (2)
N309	0.4801 (2)	0.7714 (5)	0.5262 (2)	0.087 (2)
N308	0.4279 (2)	0.7231 (5)	0.5609 (3)	0.091 (2)
N307	0.4357 (3)	0.4807 (5)	0.4526 (3)	0.089 (2)
N306	0.3801 (2)	0.4502 (4)	0.3592 (3)	0.091 (2)
N303	0.2667 (2)	0.6896 (4)	0.1876 (3)	0.092 (2)
N310	0.4620 (2)	0.8568 (5)	0.5847 (3)	0.091 (2)
N311	0.5810 (3)	1.0104 (5)	0.5507 (4)	0.108 (3)
C327	0.5172 (3)	0.9012 (5)	0.5513 (4)	0.084 (3)
N301	0.1700 (2)	0.4697 (4)	0.1011 (3)	0.111 (3)
N305	0.3132 (3)	1.0053 (5)	0.2226 (5)	0.127 (4)
C320	0.4725 (3)	0.6124 (5)	0.4764 (3)	0.083 (3)
H320	0.493242	0.652265	0.473538	0.099*
C321	0.4474 (3)	0.6298 (6)	0.5053 (3)	0.080 (2)
C326	0.4342 (3)	0.7966 (5)	0.5867 (3)	0.084 (2)
C319	0.4663 (3)	0.5338 (6)	0.4512 (3)	0.088 (2)
H319	0.484451	0.517994	0.432729	0.106*
C325	0.4848 (3)	0.8391 (5)	0.5539 (3)	0.083 (2)
C303	0.2301 (3)	0.5587 (5)	0.1601 (4)	0.092 (3)
C306	0.2608 (3)	0.6033 (5)	0.1922 (3)	0.094 (3)
C324	0.4522 (3)	0.7140 (5)	0.5322 (3)	0.082 (2)
C307	0.2951 (3)	0.7255 (5)	0.2174 (4)	0.093 (3)
N312	0.3582 (4)	0.8419 (5)	0.6794 (5)	0.129 (4)
C308	0.3094 (2)	0.5939 (4)	0.2530 (3)	0.082 (2)
C329	0.5661 (3)	0.9626 (6)	0.5151 (4)	0.096 (3)
H329	0.577102	0.966941	0.488879	0.115*
C316	0.3346 (2)	0.5423 (5)	0.2902 (3)	0.084 (2)
C328	0.5348 (3)	0.9065 (6)	0.5157 (4)	0.098 (3)
H328	0.525240	0.870415	0.490222	0.117*
C314	0.3511 (3)	0.4107 (5)	0.3315 (4)	0.108 (4)
H314	0.346336	0.349338	0.336130	0.130*
C309	0.3019 (3)	0.8228 (5)	0.2175 (4)	0.094 (3)
C334	0.4082 (3)	0.8119 (6)	0.6190 (4)	0.091 (3)
C305	0.1920 (3)	0.4274 (6)	0.1356 (4)	0.118 (4)
H305	0.186668	0.366176	0.139853	0.142*
C315	0.3272 (3)	0.4536 (5)	0.2959 (4)	0.108 (4)
H315	0.306603	0.423109	0.276352	0.130*
C323	0.4135 (5)	0.4940 (8)	0.4804 (6)	0.129 (5)
H323	0.394370	0.450076	0.483463	0.155*
C304	0.2218 (3)	0.4673 (5)	0.1654 (4)	0.110 (4)
H304	0.236777	0.434026	0.189378	0.132*
C301	0.1780 (3)	0.5563 (7)	0.0954 (4)	0.120 (4)
H301	0.163677	0.586789	0.070060	0.144*
C310	0.2763 (3)	0.8778 (6)	0.1901 (5)	0.119 (4)
H310	0.254277	0.855032	0.169509	0.143*
C322	0.4162 (4)	0.5749 (8)	0.5083 (4)	0.117 (4)
H322	0.397705	0.588052	0.526863	0.141*
C311	0.2845 (4)	0.9716 (7)	0.1940 (6)	0.129 (5)
H311	0.267751	1.010994	0.174408	0.155*
C312	0.3367 (4)	0.9533 (7)	0.2456 (7)	0.147 (6)
H312	0.359417	0.978951	0.263992	0.176*
C318	0.3853 (4)	0.5347 (7)	0.3535 (5)	0.143 (6)
H318	0.405169	0.564384	0.374307	0.171*
C302	0.2063 (3)	0.6023 (6)	0.1251 (4)	0.124 (5)
H302	0.209434	0.664624	0.121309	0.148*
C317	0.3637 (4)	0.5841 (6)	0.3190 (5)	0.134 (5)
H317	0.369198	0.645461	0.315559	0.161*
C331	0.5319 (4)	0.9512 (11)	0.5908 (6)	0.153 (6)
H331	0.521158	0.948165	0.617214	0.183*
C332	0.3497 (6)	0.7845 (10)	0.6460 (7)	0.155 (6)
H332	0.326091	0.750699	0.644233	0.186*
C313	0.3331 (3)	0.8615 (6)	0.2472 (5)	0.121 (4)
H313	0.351252	0.826499	0.267675	0.145*
C335	0.4170 (4)	0.8760 (9)	0.6511 (7)	0.140 (5)
H335	0.438776	0.915299	0.652290	0.168*
C336	0.3912 (5)	0.8804 (12)	0.6830 (7)	0.150 (6)
H336	0.399881	0.915286	0.709069	0.180*
C333	0.3712 (4)	0.7690 (7)	0.6141 (5)	0.121 (4)
H333	0.361819	0.730888	0.589394	0.145*
I302	0.11354 (5)	0.26014 (5)	0.08658 (8)	0.1885 (10)	0.9147 (18)
Zn31	0.12906 (5)	0.40607 (10)	0.05330 (8)	0.1225 (8)	0.9147 (18)
I301	0.15185 (4)	0.42329 (15)	−0.02022 (7)	0.1876 (9)	0.9147 (18)
I405	0.2577 (2)	0.7778 (4)	0.6923 (2)	0.130 (2)	0.3262
Zn43	0.3194 (4)	0.8640 (10)	0.7214 (5)	0.182 (9)	0.3262
I406	0.3615 (3)	0.8312 (5)	0.7992 (2)	0.152 (4)	0.3262
I404	0.47574 (7)	0.3501 (2)	0.36583 (6)	0.0845 (6)	0.5428
I403	0.38430 (8)	0.26200 (16)	0.44504 (9)	0.0876 (5)	0.5428
Zn42	0.41955 (15)	0.3779 (3)	0.40628 (14)	0.107 (3)	0.5428
I503	0.3577 (8)	0.287 (2)	0.4444 (9)	0.080*	0.0268
I504	0.4592 (8)	0.325 (2)	0.3862 (10)	0.080*	0.0268
Zn52	0.4027 (7)	0.395 (3)	0.4157 (6)	0.080*	0.0268
I505	0.2449 (2)	0.7853 (6)	0.6661 (3)	0.172 (4)	0.2532
I506	0.3444 (4)	0.7984 (4)	0.7778 (4)	0.213 (5)	0.2532
Zn53	0.3152 (4)	0.8484 (10)	0.7098 (10)	0.162 (7)	0.2532
I401	0.1529 (3)	0.4161 (8)	0.0113 (5)	0.080*	0.0517 (12)
I402	0.1162 (4)	0.2539 (9)	0.1143 (4)	0.080*	0.0517 (12)
Zn41	0.1314 (7)	0.4007 (17)	0.0882 (9)	0.080*	0.0517 (12)
C330	0.5652 (5)	1.0070 (12)	0.5862 (6)	0.160 (7)
H330	0.576258	1.043819	0.610870	0.193*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I304	0.186 (5)	0.130 (4)	0.234 (6)	0.089 (3)	−0.045 (4)	−0.026 (3)
I303	0.227 (5)	0.066 (2)	0.233 (5)	−0.053 (2)	−0.117 (3)	0.030 (2)
I305	0.1212 (18)	0.0458 (10)	0.133 (2)	−0.0157 (10)	0.0121 (15)	−0.0087 (13)
I306	0.165 (2)	0.0548 (12)	0.1099 (15)	0.0102 (13)	−0.0257 (14)	0.0101 (10)
Zn32	0.065 (3)	0.043 (4)	0.118 (5)	0.005 (2)	0.001 (3)	0.012 (3)
Zn33	0.107 (3)	0.030 (3)	0.112 (2)	0.001 (2)	0.000 (3)	0.0009 (19)
N304	0.080 (4)	0.032 (3)	0.125 (5)	0.006 (3)	−0.025 (4)	−0.005 (3)
N302	0.082 (4)	0.035 (3)	0.121 (5)	0.008 (3)	−0.034 (4)	−0.006 (3)
N309	0.087 (4)	0.067 (4)	0.089 (4)	−0.004 (3)	−0.025 (4)	−0.009 (4)
N308	0.094 (5)	0.058 (4)	0.103 (5)	−0.013 (3)	−0.026 (5)	−0.007 (4)
N307	0.096 (5)	0.064 (4)	0.095 (5)	−0.010 (4)	−0.016 (4)	−0.006 (4)
N306	0.093 (4)	0.048 (3)	0.112 (5)	0.013 (3)	−0.027 (4)	0.001 (4)
N303	0.089 (4)	0.049 (3)	0.121 (5)	0.014 (3)	−0.022 (4)	0.011 (4)
N310	0.090 (4)	0.055 (4)	0.112 (5)	−0.007 (3)	−0.020 (4)	−0.004 (4)
N311	0.090 (5)	0.059 (4)	0.156 (8)	−0.017 (4)	−0.023 (5)	0.008 (5)
C327	0.085 (5)	0.041 (4)	0.108 (6)	−0.001 (3)	−0.025 (5)	−0.008 (4)
N301	0.100 (5)	0.049 (3)	0.149 (7)	0.029 (3)	−0.066 (5)	−0.030 (4)
N305	0.133 (7)	0.045 (4)	0.190 (10)	−0.010 (5)	−0.002 (7)	0.000 (6)
C320	0.077 (4)	0.043 (4)	0.108 (6)	−0.010 (3)	−0.033 (5)	0.002 (4)
C321	0.079 (5)	0.063 (5)	0.083 (5)	0.002 (4)	−0.022 (4)	−0.003 (4)
C326	0.080 (5)	0.058 (4)	0.098 (5)	0.015 (4)	−0.019 (5)	0.001 (4)
C319	0.076 (5)	0.076 (5)	0.098 (5)	0.001 (4)	−0.022 (4)	−0.007 (5)
C325	0.080 (5)	0.056 (4)	0.097 (5)	−0.014 (4)	−0.023 (5)	0.004 (4)
C303	0.080 (5)	0.047 (4)	0.133 (7)	0.013 (3)	−0.020 (5)	−0.005 (5)
C306	0.109 (6)	0.043 (4)	0.108 (6)	0.021 (4)	−0.035 (5)	−0.003 (4)
C324	0.086 (5)	0.051 (4)	0.095 (5)	−0.015 (4)	−0.022 (5)	0.012 (4)
C307	0.101 (6)	0.033 (3)	0.130 (7)	0.006 (4)	−0.017 (6)	−0.003 (4)
N312	0.172 (10)	0.040 (4)	0.188 (11)	0.002 (5)	0.069 (9)	−0.002 (5)
C308	0.081 (4)	0.033 (3)	0.118 (6)	0.004 (3)	−0.017 (4)	−0.006 (4)
C329	0.094 (5)	0.062 (5)	0.117 (7)	−0.007 (4)	−0.018 (5)	−0.004 (5)
C316	0.087 (5)	0.042 (3)	0.104 (5)	0.006 (3)	−0.028 (4)	−0.005 (4)
C328	0.094 (6)	0.057 (5)	0.123 (8)	−0.016 (4)	−0.024 (6)	−0.013 (5)
C314	0.131 (7)	0.039 (4)	0.120 (7)	−0.008 (4)	−0.062 (6)	−0.002 (4)
C309	0.102 (6)	0.031 (3)	0.134 (7)	0.005 (3)	−0.016 (5)	0.004 (4)
C334	0.081 (5)	0.061 (5)	0.119 (7)	0.009 (4)	−0.011 (5)	0.008 (5)
C305	0.106 (6)	0.051 (4)	0.162 (10)	0.010 (4)	−0.059 (7)	−0.009 (6)
C315	0.117 (7)	0.042 (4)	0.128 (7)	−0.005 (4)	−0.065 (6)	0.000 (5)
C323	0.139 (10)	0.074 (7)	0.156 (11)	−0.023 (7)	−0.014 (10)	−0.021 (8)
C304	0.108 (6)	0.043 (4)	0.148 (8)	0.001 (4)	−0.055 (6)	0.000 (5)
C301	0.117 (7)	0.067 (5)	0.144 (9)	0.024 (5)	−0.052 (7)	−0.009 (6)
C310	0.107 (6)	0.044 (4)	0.184 (12)	0.010 (4)	−0.027 (7)	0.021 (6)
C322	0.134 (8)	0.093 (7)	0.122 (8)	−0.058 (7)	0.017 (7)	−0.029 (7)
C311	0.128 (9)	0.054 (5)	0.193 (13)	0.029 (6)	0.003 (9)	0.033 (7)
C312	0.136 (9)	0.053 (5)	0.232 (17)	−0.018 (6)	−0.016 (10)	0.001 (8)
C318	0.142 (9)	0.061 (5)	0.171 (11)	0.007 (5)	−0.102 (9)	−0.008 (6)
C302	0.125 (7)	0.049 (4)	0.154 (9)	0.008 (5)	−0.079 (7)	−0.006 (5)
C317	0.142 (9)	0.053 (5)	0.163 (10)	−0.016 (5)	−0.077 (8)	0.018 (6)
C331	0.136 (10)	0.134 (11)	0.190 (14)	−0.072 (9)	0.035 (10)	−0.068 (11)
C332	0.172 (14)	0.097 (9)	0.195 (16)	−0.014 (9)	0.035 (13)	−0.034 (11)
C313	0.116 (7)	0.051 (5)	0.172 (11)	0.006 (5)	−0.035 (7)	−0.001 (6)
C335	0.110 (8)	0.104 (9)	0.207 (15)	−0.015 (7)	0.035 (10)	−0.039 (10)
C336	0.142 (11)	0.121 (11)	0.178 (14)	0.017 (10)	0.010 (11)	−0.050 (11)
C333	0.135 (9)	0.072 (6)	0.158 (11)	−0.012 (6)	0.033 (9)	−0.026 (7)
I302	0.1728 (11)	0.0530 (4)	0.272 (2)	−0.0040 (4)	−0.1248 (13)	−0.0094 (7)
Zn31	0.0919 (9)	0.0666 (8)	0.1734 (18)	0.0271 (7)	−0.0625 (11)	−0.0399 (10)
I301	0.1137 (7)	0.248 (2)	0.1773 (14)	0.0416 (10)	−0.0318 (8)	−0.1149 (14)
I405	0.164 (7)	0.052 (3)	0.180 (7)	−0.041 (3)	0.050 (5)	−0.045 (4)
Zn43	0.308 (19)	0.031 (5)	0.238 (18)	0.027 (7)	0.131 (13)	−0.009 (8)
I406	0.237 (10)	0.083 (5)	0.145 (5)	0.079 (6)	0.058 (6)	0.027 (4)
I404	0.0855 (9)	0.0789 (12)	0.0778 (6)	0.0198 (8)	−0.0117 (7)	0.0016 (8)
I403	0.1038 (10)	0.0473 (8)	0.0994 (8)	−0.0087 (7)	−0.0102 (9)	0.0045 (7)
Zn42	0.134 (5)	0.058 (4)	0.092 (3)	0.010 (3)	−0.065 (3)	−0.019 (2)
I505	0.132 (4)	0.087 (3)	0.319 (11)	−0.061 (3)	0.099 (6)	−0.101 (6)
I506	0.274 (9)	0.069 (3)	0.295 (12)	0.014 (4)	0.053 (8)	0.034 (5)
Zn53	0.140 (9)	0.024 (4)	0.36 (2)	−0.012 (4)	0.140 (11)	−0.038 (7)
C330	0.158 (12)	0.169 (15)	0.143 (11)	−0.111 (12)	0.001 (10)	−0.051 (11)

Geometric parameters (Å, º)

I304—Zn32	2.515 (7)	C307—C309	1.478 (10)
I303—Zn32	2.493 (7)	N312—C332	1.32 (2)
I502—Zn51	2.535 (19)	N312—C336	1.26 (2)
I501—Zn51	2.527 (18)	N312—Zn43	2.049 (18)
I305—Zn33	2.506 (7)	N312—Zn53	1.90 (2)
I306—Zn33	2.569 (6)	C308—C316	1.502 (11)
Zn32—N307	2.077 (10)	C329—H329	0.9500
Zn32—N306	2.079 (8)	C329—C328	1.372 (14)
Zn51—N311^i	2.39 (4)	C316—C315	1.373 (12)
Zn51—N301	2.085 (19)	C316—C317	1.351 (13)
Zn33—N305^ii	2.103 (11)	C328—H328	0.9500
Zn33—N312	2.065 (15)	C314—H314	0.9500
N304—C307	1.350 (11)	C314—C315	1.387 (12)
N304—C308	1.354 (10)	C309—C310	1.367 (13)
N302—C306	1.360 (11)	C309—C313	1.390 (14)
N302—C308	1.321 (10)	C334—C335	1.361 (18)
N309—C325	1.311 (12)	C334—C333	1.409 (16)
N309—C324	1.329 (12)	C305—H305	0.9500
N308—C326	1.346 (11)	C305—C304	1.368 (13)
N308—C324	1.332 (13)	C315—H315	0.9500
N307—C319	1.328 (13)	C323—H323	0.9500
N307—C323	1.261 (18)	C323—C322	1.475 (18)
N307—Zn42	2.091 (9)	C304—H304	0.9500
N307—Zn52	1.93 (2)	C301—H301	0.9500
N306—C314	1.318 (11)	C301—C302	1.378 (13)
N306—C318	1.297 (13)	C310—H310	0.9500
N306—Zn42	2.077 (8)	C310—C311	1.436 (15)
N306—Zn52	1.93 (2)	C322—H322	0.9500
N303—C306	1.322 (11)	C311—H311	0.9500
N303—C307	1.313 (12)	C312—H312	0.9500
N310—C326	1.328 (12)	C312—C313	1.385 (15)
N310—C325	1.359 (13)	C318—H318	0.9500
N311—C329	1.320 (14)	C318—C317	1.378 (15)
N311—Zn31^iii	2.065 (8)	C302—H302	0.9500
N311—Zn41^iii	2.31 (3)	C317—H317	0.9500
N311—C330	1.302 (19)	C331—H331	0.9500
C327—C325	1.467 (13)	C331—C330	1.448 (19)
C327—C328	1.344 (16)	C332—H332	0.9500
C327—C331	1.424 (17)	C332—C333	1.35 (2)
N301—C305	1.331 (13)	C313—H313	0.9500
N301—C301	1.347 (14)	C335—H335	0.9500
N301—Zn31	2.055 (7)	C335—C336	1.44 (2)
N301—Zn41	1.67 (3)	C336—H336	0.9500
N305—C311	1.288 (17)	C333—H333	0.9500
N305—C312	1.238 (17)	I302—Zn31	2.513 (3)
N305—Zn43^iv	1.974 (17)	Zn31—I301	2.525 (3)
N305—Zn53^iv	2.232 (16)	I405—Zn43	2.497 (14)
C320—H320	0.9500	Zn43—I406	2.575 (16)
C320—C321	1.373 (14)	I404—Zn42	2.523 (6)
C320—C319	1.400 (13)	I403—Zn42	2.539 (6)
C321—C324	1.496 (13)	I503—Zn52	2.512 (17)
C321—C322	1.372 (14)	I504—Zn52	2.524 (18)
C326—C334	1.473 (15)	I505—Zn53	2.697 (19)
C319—H319	0.9500	I506—Zn53	2.25 (3)
C303—C306	1.454 (12)	I401—Zn41	2.60 (3)
C303—C304	1.417 (12)	I402—Zn41	2.43 (3)
C303—C302	1.377 (13)	C330—H330	0.9500
I303—Zn32—I304	129.4 (3)	C317—C316—C315	120.1 (8)
N307—Zn32—I304	105.6 (4)	C327—C328—C329	121.8 (10)
N307—Zn32—I303	109.0 (4)	C327—C328—H328	119.1
N307—Zn32—N306	98.0 (4)	C329—C328—H328	119.1
N306—Zn32—I304	104.8 (4)	N306—C314—H314	118.2
N306—Zn32—I303	105.7 (3)	N306—C314—C315	123.6 (7)
I501—Zn51—I502	122.1 (11)	C315—C314—H314	118.2
N311^i—Zn51—I502	93.3 (10)	C310—C309—C307	120.7 (8)
N311^i—Zn51—I501	123.2 (12)	C310—C309—C313	118.0 (8)
N301—Zn51—I502	94.1 (9)	C313—C309—C307	121.2 (8)
N301—Zn51—I501	125.4 (13)	C335—C334—C326	120.7 (10)
N301—Zn51—N311^i	89.8 (10)	C335—C334—C333	118.0 (12)
I305—Zn33—I306	120.1 (3)	C333—C334—C326	120.8 (10)
N305^ii—Zn33—I305	108.8 (4)	N301—C305—H305	118.2
N305^ii—Zn33—I306	109.6 (5)	N301—C305—C304	123.5 (9)
N312—Zn33—I305	103.1 (5)	C304—C305—H305	118.2
N312—Zn33—I306	113.2 (5)	C316—C315—C314	116.9 (7)
N312—Zn33—N305^ii	99.9 (5)	C316—C315—H315	121.6
C307—N304—C308	113.5 (6)	C314—C315—H315	121.6
C308—N302—C306	113.8 (7)	N307—C323—H323	118.7
C325—N309—C324	114.6 (9)	N307—C323—C322	122.6 (12)
C324—N308—C326	114.6 (8)	C322—C323—H323	118.7
C319—N307—Zn32	122.4 (8)	C303—C304—H304	120.3
C319—N307—Zn42	122.0 (8)	C305—C304—C303	119.4 (9)
C319—N307—Zn52	139.8 (12)	C305—C304—H304	120.3
C323—N307—Zn32	116.5 (7)	N301—C301—H301	118.8
C323—N307—C319	120.9 (10)	N301—C301—C302	122.5 (9)
C323—N307—Zn42	116.9 (7)	C302—C301—H301	118.8
C323—N307—Zn52	97.5 (11)	C309—C310—H310	121.6
C314—N306—Zn32	121.5 (5)	C309—C310—C311	116.7 (10)
C314—N306—Zn42	121.3 (5)	C311—C310—H310	121.6
C314—N306—Zn52	120.1 (11)	C321—C322—C323	114.7 (13)
C318—N306—Zn32	120.9 (6)	C321—C322—H322	122.7
C318—N306—C314	117.4 (7)	C323—C322—H322	122.7
C318—N306—Zn42	121.1 (6)	N305—C311—C310	123.5 (10)
C318—N306—Zn52	120.0 (11)	N305—C311—H311	118.2
C307—N303—C306	116.1 (7)	C310—C311—H311	118.2
C326—N310—C325	114.7 (8)	N305—C312—H312	116.8
C329—N311—Zn51^iii	105.0 (10)	N305—C312—C313	126.4 (12)
C329—N311—Zn31^iii	122.9 (10)	C313—C312—H312	116.8
C329—N311—Zn41^iii	149.0 (11)	N306—C318—H318	117.9
Zn31^iii—N311—Zn51^iii	20.5 (5)	N306—C318—C317	124.2 (8)
Zn31^iii—N311—Zn41^iii	27.2 (6)	C317—C318—H318	117.9
C330—N311—Zn51^iii	133.7 (9)	C303—C302—C301	120.5 (9)
C330—N311—C329	120.1 (9)	C303—C302—H302	119.8
C330—N311—Zn31^iii	117.0 (8)	C301—C302—H302	119.8
C330—N311—Zn41^iii	90.5 (9)	C316—C317—C318	117.8 (9)
C328—C327—C325	123.3 (8)	C316—C317—H317	121.1
C328—C327—C331	120.5 (10)	C318—C317—H317	121.1
C331—C327—C325	116.0 (11)	C327—C331—H331	123.8
C305—N301—Zn51	134.9 (10)	C327—C331—C330	112.5 (15)
C305—N301—C301	117.5 (7)	C330—C331—H331	123.8
C305—N301—Zn31	123.0 (6)	N312—C332—H332	116.8
C305—N301—Zn41	101.2 (11)	N312—C332—C333	126.4 (16)
C301—N301—Zn51	101.4 (10)	C333—C332—H332	116.8
C301—N301—Zn31	119.2 (6)	C309—C313—C312	117.1 (10)
C301—N301—Zn41	137.9 (10)	C309—C313—H313	121.4
Zn33^iv—N305—Zn53^iv	20.7 (8)	C312—C313—H313	121.4
C311—N305—Zn33^iv	128.6 (8)	C334—C335—H335	122.1
C311—N305—Zn43^iv	116.6 (9)	C334—C335—C336	115.8 (13)
C311—N305—Zn53^iv	108.2 (10)	C336—C335—H335	122.1
C312—N305—Zn33^iv	113.3 (9)	N312—C336—C335	125.8 (15)
C312—N305—C311	117.9 (9)	N312—C336—H336	117.1
C312—N305—Zn43^iv	125.2 (10)	C335—C336—H336	117.1
C312—N305—Zn53^iv	132.8 (10)	C334—C333—H333	121.4
C321—C320—H320	121.2	C332—C333—C334	117.2 (13)
C321—C320—C319	117.6 (8)	C332—C333—H333	121.4
C319—C320—H320	121.2	N311^i—Zn31—I302	108.2 (3)
C320—C321—C324	119.7 (8)	N311^i—Zn31—I301	106.8 (4)
C320—C321—C322	121.8 (9)	N301—Zn31—N311^i	100.3 (3)
C322—C321—C324	118.4 (11)	N301—Zn31—I302	106.8 (3)
N308—C326—C334	117.9 (9)	N301—Zn31—I301	107.0 (3)
N310—C326—N308	124.6 (10)	I302—Zn31—I301	125.00 (9)
N310—C326—C334	117.6 (8)	N305^ii—Zn43—N312	105.0 (8)
N307—C319—C320	121.7 (10)	N305^ii—Zn43—I405	115.8 (8)
N307—C319—H319	119.2	N305^ii—Zn43—I406	102.5 (7)
C320—C319—H319	119.2	N312—Zn43—I405	107.9 (7)
N309—C325—N310	125.4 (8)	N312—Zn43—I406	102.9 (7)
N309—C325—C327	117.2 (10)	I405—Zn43—I406	121.1 (7)
N310—C325—C327	117.4 (8)	N307—Zn42—I404	108.8 (4)
C304—C303—C306	120.3 (8)	N307—Zn42—I403	106.3 (3)
C302—C303—C306	123.1 (8)	N306—Zn42—N307	97.6 (3)
C302—C303—C304	116.4 (8)	N306—Zn42—I404	102.2 (3)
N302—C306—C303	116.0 (7)	N306—Zn42—I403	111.7 (3)
N303—C306—N302	124.8 (7)	I404—Zn42—I403	126.5 (2)
N303—C306—C303	119.1 (7)	N307—Zn52—N306	108.7 (18)
N309—C324—C321	118.6 (10)	N307—Zn52—I503	124.2 (13)
N308—C324—N309	126.0 (9)	N307—Zn52—I504	94.4 (13)
N308—C324—C321	115.4 (8)	N306—Zn52—I503	114.6 (12)
N304—C307—C309	114.4 (7)	N306—Zn52—I504	93.9 (13)
N303—C307—N304	125.2 (7)	I503—Zn52—I504	115.4 (17)
N303—C307—C309	120.3 (8)	N305^ii—Zn53—I505	112.1 (8)
C332—N312—Zn33	128.3 (12)	N305^ii—Zn53—I506	101.0 (10)
C332—N312—Zn43	120.8 (13)	N312—Zn53—N305^ii	100.9 (8)
C332—N312—Zn53	109.4 (13)	N312—Zn53—I505	116.9 (12)
C336—N312—Zn33	115.4 (12)	N312—Zn53—I506	100.4 (10)
C336—N312—C332	115.2 (15)	I506—Zn53—I505	122.4 (8)
C336—N312—Zn43	124.0 (12)	N311^i—Zn41—I401	79.8 (9)
C336—N312—Zn53	135.3 (13)	N311^i—Zn41—I402	119.8 (11)
N304—C308—C316	115.3 (6)	N301—Zn41—N311^i	104.3 (12)
N302—C308—N304	126.1 (7)	N301—Zn41—I401	78.7 (10)
N302—C308—C316	118.6 (6)	N301—Zn41—I402	134.1 (14)
N311—C329—H329	119.8	I402—Zn41—I401	119.4 (11)
N311—C329—C328	120.3 (12)	N311—C330—C331	124.7 (12)
C328—C329—H329	119.8	N311—C330—H330	117.6
C315—C316—C308	120.0 (7)	C331—C330—H330	117.6
C317—C316—C308	119.9 (7)
Zn32—N307—C319—C320	167.4 (6)	C308—N302—C306—C303	176.1 (10)
Zn32—N307—C323—C322	−166.6 (10)	C308—C316—C315—C314	−178.7 (11)
Zn32—N306—C314—C315	−172.0 (10)	C308—C316—C317—C318	178.0 (13)
Zn32—N306—C318—C317	171.2 (14)	C329—N311—C330—C331	2 (3)
Zn51^iii—N311—C329—C328	167.2 (9)	C328—C327—C325—N309	18.3 (12)
Zn51^iii—N311—C330—C331	−164.1 (15)	C328—C327—C325—N310	−161.3 (8)
Zn51—N301—C305—C304	147.2 (16)	C328—C327—C331—C330	2 (2)
Zn51—N301—C301—C302	−160.2 (16)	C314—N306—C318—C317	−3 (2)
Zn33^iv—N305—C311—C310	179.2 (12)	C309—C310—C311—N305	−3 (2)
Zn33^iv—N305—C312—C313	178.2 (16)	C334—C335—C336—N312	−13 (3)
Zn33—N312—C332—C333	−173.5 (13)	C305—N301—C301—C302	−4 (2)
Zn33—N312—C336—C335	178.4 (14)	C305—N301—Zn41—N311^i	157.2 (11)
N304—C307—C309—C310	−171.3 (12)	C305—N301—Zn41—I401	−126.6 (9)
N304—C307—C309—C313	5.0 (17)	C305—N301—Zn41—I402	−6 (2)
N304—C308—C316—C315	−179.8 (11)	C315—C316—C317—C318	0 (2)
N304—C308—C316—C317	2.4 (16)	C323—N307—C319—C320	−8.0 (14)
N302—C308—C316—C315	0.0 (16)	C304—C303—C306—N302	0.5 (16)
N302—C308—C316—C317	−177.7 (12)	C304—C303—C306—N303	−177.0 (11)
N308—C326—C334—C335	168.9 (11)	C304—C303—C302—C301	−4 (2)
N308—C326—C334—C333	−19.4 (13)	C301—N301—C305—C304	0 (2)
N307—C323—C322—C321	−7.0 (19)	C301—N301—Zn41—N311^i	0 (2)
N306—C314—C315—C316	0 (2)	C301—N301—Zn41—I401	76.1 (18)
N306—C318—C317—C316	2 (3)	C301—N301—Zn41—I402	−163.7 (15)
N303—C307—C309—C310	7.4 (19)	C310—C309—C313—C312	−2 (2)
N303—C307—C309—C313	−176.4 (13)	C322—C321—C324—N309	−173.7 (9)
N310—C326—C334—C335	−11.8 (14)	C322—C321—C324—N308	7.5 (12)
N310—C326—C334—C333	159.9 (9)	C311—N305—C312—C313	−7 (3)
N311—C329—C328—C327	3.0 (15)	C312—N305—C311—C310	6 (2)
C327—C331—C330—N311	−2 (3)	C318—N306—C314—C315	3 (2)
N301—C305—C304—C303	0 (2)	C302—C303—C306—N302	176.5 (12)
N301—C301—C302—C303	6 (2)	C302—C303—C306—N303	−0.9 (19)
N305—C312—C313—C309	6 (3)	C302—C303—C304—C305	1.6 (19)
C320—C321—C324—N309	1.9 (11)	C317—C316—C315—C314	−1 (2)
C320—C321—C324—N308	−176.9 (7)	C331—C327—C325—N309	−156.0 (11)
C320—C321—C322—C323	3.9 (16)	C331—C327—C325—N310	24.4 (13)
C321—C320—C319—N307	4.8 (12)	C331—C327—C328—C329	−3.1 (16)
C326—N308—C324—N309	−2.6 (12)	C332—N312—C336—C335	9 (3)
C326—N308—C324—C321	176.1 (7)	C332—N312—Zn53—N305^ii	−139.4 (13)
C326—N310—C325—N309	2.8 (12)	C332—N312—Zn53—I505	−17.6 (16)
C326—N310—C325—C327	−177.6 (7)	C332—N312—Zn53—I506	117.1 (12)
C326—C334—C335—C336	−175.3 (12)	C313—C309—C310—C311	1 (2)
C326—C334—C333—C332	178.0 (12)	C335—C334—C333—C332	−10.1 (19)
C319—N307—C323—C322	9.1 (18)	C336—N312—C332—C333	−6 (3)
C319—C320—C321—C324	−178.6 (7)	C336—N312—Zn53—N305^ii	38 (2)
C319—C320—C321—C322	−3.1 (13)	C336—N312—Zn53—I505	160.2 (17)
C325—N309—C324—N308	4.8 (12)	C336—N312—Zn53—I506	−65 (2)
C325—N309—C324—C321	−173.9 (7)	C333—C334—C335—C336	13 (2)
C325—N310—C326—N308	−0.3 (11)	Zn31^iii—N311—C329—C328	178.3 (7)
C325—N310—C326—C334	−179.5 (7)	Zn31^iii—N311—C330—C331	−178.8 (16)
C325—C327—C328—C329	−177.1 (8)	Zn31—N301—C305—C304	173.8 (11)
C325—C327—C331—C330	176.8 (13)	Zn31—N301—C301—C302	−177.1 (11)
C306—N302—C308—N304	3.4 (15)	Zn43^iv—N305—C311—C310	179.0 (13)
C306—N302—C308—C316	−176.4 (9)	Zn43^iv—N305—C312—C313	180.0 (15)
C306—N303—C307—N304	3.6 (17)	Zn43—N312—C332—C333	174.6 (15)
C306—N303—C307—C309	−174.9 (11)	Zn43—N312—C336—C335	−171.3 (14)
C306—C303—C304—C305	177.8 (12)	Zn42—N307—C319—C320	167.4 (6)
C306—C303—C302—C301	179.4 (13)	Zn42—N307—C323—C322	−166.6 (10)
C324—N309—C325—N310	−4.9 (12)	Zn42—N306—C314—C315	−171.5 (11)
C324—N309—C325—C327	175.5 (7)	Zn42—N306—C318—C317	170.6 (14)
C324—N308—C326—N310	0.1 (11)	Zn52—N307—C319—C320	153.3 (18)
C324—N308—C326—C334	179.4 (7)	Zn52—N307—C323—C322	−158.9 (15)
C324—C321—C322—C323	179.4 (9)	Zn52—N306—C314—C315	164.3 (16)
C307—N304—C308—N302	2.4 (15)	Zn52—N306—C318—C317	−165.2 (17)
C307—N304—C308—C316	−177.7 (9)	Zn53^iv—N305—C311—C310	175.0 (14)
C307—N303—C306—N302	3.5 (17)	Zn53^iv—N305—C312—C313	−173.4 (16)
C307—N303—C306—C303	−179.4 (10)	Zn53—N312—C332—C333	172.6 (17)
C307—C309—C310—C311	177.3 (12)	Zn53—N312—C336—C335	−168.7 (16)
C307—C309—C313—C312	−178.5 (14)	Zn41^iii—N311—C329—C328	167.1 (16)
N312—C332—C333—C334	6 (3)	Zn41^iii—N311—C330—C331	−173 (2)
C308—N304—C307—N303	−6.3 (16)	Zn41—N301—C305—C304	−162.6 (15)
C308—N304—C307—C309	172.3 (10)	Zn41—N301—C301—C302	151.2 (17)
C308—N302—C306—N303	−6.6 (16)	C330—N311—C329—C328	−2.3 (17)

Symmetry codes: (i) x−1/2, −y+3/2, z−1/2; (ii) x, −y+2, z+1/2; (iii) x+1/2, −y+3/2, z+1/2; (iv) x, −y+2, z−1/2.

catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexachloro-tri-zinc (25_1_24c)

Crystal data

C36H24I6.006N12Zn3	F(000) = 5856
Mr = 1582.18	Dx = 1.379 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.3531 (8) Å	Cell parameters from 9852 reflections
b = 15.0637 (4) Å	θ = 2.7–71.0°
c = 29.9781 (11) Å	µ = 20.38 mm^−1
β = 100.634 (3)°	T = 100 K
V = 15246.8 (8) Å^3	Block, colourless
Z = 8	0.29 × 0.17 × 0.1 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	13839 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	10225 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.054
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −40→41
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −14→18
Tmin = 0.057, Tmax = 0.299	l = −34→36
50575 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.071	H-atom parameters constrained
wR(F^2) = 0.232	w = 1/[σ^2(Fo^2) + (0.146P)^2 + 12.5369P] where P = (Fo^2 + 2Fc^2)/3
S = 1.08	(Δ/σ)max < 0.001
13839 reflections	Δρmax = 1.19 e Å^−3
614 parameters	Δρmin = −1.00 e Å^−3
21 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. No guests or solvent were identified from the electron density map, SQUEEZE has been applied to address the residual electron density within the pore. SQUEEZE analysis indicated one void with a volume of 883 Ang**3 and an electron count of 221. This is equivalent to 4.60 cyclohexane molecules or 1.70 BBA-8,12-OMe molecules.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I303	0.52541 (8)	−0.15359 (19)	0.63808 (10)	0.0753 (10)	0.58 (2)
I304	0.61879 (12)	−0.2334 (3)	0.55351 (14)	0.0878 (8)	0.58 (2)
I402	0.3890 (4)	0.7402 (6)	0.4204 (5)	0.215 (8)	0.1997
I405	0.62497 (8)	0.34490 (17)	0.19080 (9)	0.0973 (6)	0.4545
I406	0.73040 (7)	0.26674 (18)	0.29141 (9)	0.1029 (6)	0.4545
I401	0.3466 (4)	0.5644 (9)	0.5254 (5)	0.207 (8)	0.1997
Zn32	0.57985 (11)	−0.1263 (3)	0.59341 (15)	0.0611 (13)	0.58 (2)
Zn41	0.3687 (4)	0.5954 (9)	0.4520 (5)	0.137 (11)	0.1997
Zn43	0.66946 (14)	0.3627 (4)	0.26749 (17)	0.0799 (10)	0.4545
N304	0.56914 (18)	0.2226 (4)	0.4388 (2)	0.0752 (16)
N310	0.71900 (16)	0.9478 (3)	0.2759 (2)	0.0724 (16)
N312	0.62122 (16)	1.0511 (4)	0.1395 (2)	0.0731 (15)
N309	0.73259 (17)	0.8119 (4)	0.3147 (2)	0.0739 (15)
N303	0.51681 (17)	0.2676 (4)	0.4744 (2)	0.0726 (15)
N308	0.68172 (17)	0.8214 (4)	0.2503 (3)	0.0794 (18)
N305	0.56274 (19)	−0.0239 (4)	0.5479 (2)	0.0781 (17)
N302	0.53427 (19)	0.3558 (4)	0.4167 (2)	0.0788 (18)
N301	0.4160 (2)	0.5128 (6)	0.4553 (3)	0.103 (3)
C309	0.54924 (19)	0.1271 (5)	0.4949 (2)	0.0647 (16)
C303	0.47967 (19)	0.4003 (5)	0.4508 (3)	0.0736 (19)
C324	0.7044 (2)	0.7765 (4)	0.2832 (3)	0.0747 (19)
C307	0.5451 (2)	0.2120 (5)	0.4679 (2)	0.0714 (18)
C310	0.5255 (2)	0.1095 (5)	0.5263 (3)	0.0714 (19)
H310	0.504836	0.148943	0.530431	0.086*
C326	0.69051 (18)	0.9068 (4)	0.2476 (3)	0.0697 (18)
N307	0.6855 (3)	0.4967 (5)	0.2783 (4)	0.107 (3)
C306	0.5129 (2)	0.3386 (4)	0.4467 (3)	0.0686 (18)
N311	0.8265 (2)	1.0300 (5)	0.4043 (3)	0.106 (3)
C311	0.53276 (19)	0.0332 (5)	0.5512 (3)	0.0711 (17)
H311	0.515876	0.019279	0.571984	0.085*
C325	0.73910 (19)	0.8987 (5)	0.3092 (3)	0.075 (2)
C334	0.66725 (19)	0.9583 (4)	0.2096 (3)	0.0693 (17)
C327	0.7691 (2)	0.9451 (5)	0.3420 (3)	0.081 (2)
N306	0.6392 (3)	0.3430 (6)	0.3205 (3)	0.113 (3)
C308	0.5634 (2)	0.2963 (5)	0.4139 (3)	0.080 (2)
C336	0.6488 (2)	1.0915 (5)	0.1692 (3)	0.090 (3)
H336	0.652434	1.153577	0.166333	0.108*
C321	0.6983 (2)	0.6769 (5)	0.2838 (3)	0.082 (2)
C302	0.4642 (2)	0.4075 (6)	0.4875 (3)	0.086 (2)
H302	0.475238	0.373631	0.513506	0.103*
C328	0.7910 (3)	0.8980 (6)	0.3794 (3)	0.093 (3)
H328	0.785757	0.837310	0.384541	0.112*
C316	0.5891 (2)	0.3125 (5)	0.3819 (3)	0.082 (2)
C335	0.6726 (2)	1.0468 (5)	0.2045 (3)	0.085 (2)
H335	0.692498	1.077776	0.224823	0.102*
C313	0.5786 (3)	0.0677 (6)	0.4895 (3)	0.093 (2)
H313	0.595119	0.078377	0.467859	0.111*
C312	0.5834 (3)	−0.0076 (6)	0.5162 (3)	0.090 (2)
H312	0.602736	−0.049808	0.511291	0.108*
C301	0.4316 (2)	0.4639 (5)	0.4900 (3)	0.085 (2)
H301	0.420969	0.466142	0.517090	0.102*
C331	0.7757 (3)	1.0323 (6)	0.3406 (4)	0.105 (3)
H331	0.759975	1.067251	0.317667	0.126*
C320	0.7213 (3)	0.6215 (5)	0.3120 (5)	0.122 (4)
H320	0.742935	0.643996	0.333346	0.146*
C315	0.5808 (3)	0.3741 (8)	0.3482 (4)	0.108 (3)
H315	0.556879	0.407082	0.345464	0.130*
C329	0.8199 (3)	0.9434 (6)	0.4077 (4)	0.103 (3)
H329	0.836223	0.911330	0.431292	0.124*
C330	0.8043 (3)	1.0718 (6)	0.3712 (5)	0.129 (5)
H330	0.808420	1.133752	0.368255	0.155*
C319	0.7134 (4)	0.5309 (8)	0.3099 (6)	0.133 (5)
H319	0.728420	0.492701	0.331711	0.160*
C333	0.6386 (3)	0.9152 (6)	0.1790 (4)	0.129 (5)
H333	0.633880	0.853427	0.181709	0.154*
C305	0.4302 (4)	0.5037 (9)	0.4182 (6)	0.145 (6)
H305	0.417083	0.533836	0.391863	0.174*
C304	0.4633 (4)	0.4533 (10)	0.4143 (4)	0.126 (4)
H304	0.474348	0.455072	0.387543	0.151*
C332	0.6170 (3)	0.9649 (5)	0.1443 (4)	0.108 (4)
H332	0.597934	0.934983	0.122433	0.130*
C317	0.6228 (4)	0.2667 (7)	0.3835 (5)	0.119 (4)
H317	0.629338	0.221383	0.405665	0.142*
C322	0.6687 (4)	0.6386 (6)	0.2520 (5)	0.124 (4)
H322	0.652681	0.674686	0.229910	0.149*
C318	0.6483 (4)	0.2837 (8)	0.3537 (5)	0.124 (4)
H318	0.672737	0.252550	0.357048	0.148*
C314	0.6050 (5)	0.3900 (9)	0.3189 (5)	0.131 (4)
H314	0.598273	0.434875	0.296516	0.157*
C323	0.6626 (5)	0.5513 (7)	0.2522 (5)	0.134 (5)
H323	0.640293	0.527787	0.232276	0.161*
I302	0.38156 (9)	0.73802 (17)	0.42075 (16)	0.1755 (16)	0.7256
Zn31	0.36689 (10)	0.5897 (3)	0.45526 (19)	0.117 (2)	0.7256
I301	0.34373 (6)	0.5653 (3)	0.52946 (11)	0.1823 (18)	0.7256
I306	0.74620 (11)	0.28140 (17)	0.31632 (17)	0.1937 (18)	0.5183
Zn33	0.68301 (19)	0.3580 (3)	0.2817 (2)	0.139 (2)	0.5183
I305	0.64405 (16)	0.3270 (2)	0.20213 (14)	0.209 (2)	0.5183
I404	0.61510 (14)	−0.2419 (4)	0.5599 (3)	0.0975 (14)	0.42 (2)
Zn42	0.5800 (2)	−0.1201 (5)	0.5957 (3)	0.097 (3)	0.42 (2)
I403	0.5214 (2)	−0.1486 (5)	0.6338 (2)	0.135 (3)	0.42 (2)
I502	0.3974 (4)	0.7354 (8)	0.3953 (3)	0.080*	0.0747
I501	0.3524 (3)	0.6036 (8)	0.5100 (3)	0.080*	0.0804
Zn51	0.3765 (7)	0.6022 (19)	0.4348 (7)	0.080*	0.0747
I506	0.7609 (6)	0.3053 (17)	0.3531 (7)	0.080*	0.0272
I505	0.6763 (6)	0.2964 (16)	0.2290 (7)	0.080*	0.0272
Zn53	0.6985 (15)	0.357 (4)	0.3091 (16)	0.080*	0.0272

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I303	0.0686 (12)	0.0813 (12)	0.0710 (11)	−0.0142 (8)	−0.0003 (6)	−0.0059 (7)
I304	0.1217 (19)	0.0503 (10)	0.0896 (13)	0.0208 (11)	0.0145 (11)	−0.0003 (8)
I402	0.222 (10)	0.050 (3)	0.276 (11)	−0.025 (4)	−0.208 (9)	0.028 (4)
I405	0.1346 (12)	0.0567 (8)	0.0928 (9)	−0.0090 (8)	0.0007 (9)	−0.0080 (6)
I406	0.1063 (11)	0.0546 (9)	0.1501 (15)	0.0152 (7)	0.0296 (10)	0.0222 (9)
I401	0.196 (10)	0.154 (8)	0.222 (14)	0.066 (7)	−0.092 (9)	−0.090 (9)
Zn32	0.0595 (18)	0.054 (2)	0.063 (2)	0.0005 (14)	−0.0079 (15)	−0.0003 (14)
Zn41	0.129 (13)	0.051 (7)	0.173 (16)	0.032 (6)	−0.123 (11)	−0.051 (8)
Zn43	0.0879 (16)	0.0433 (16)	0.104 (2)	−0.0041 (11)	0.0051 (14)	0.0067 (13)
N304	0.076 (3)	0.064 (4)	0.073 (3)	−0.004 (3)	−0.020 (3)	0.012 (3)
N310	0.070 (3)	0.031 (2)	0.103 (4)	0.000 (2)	−0.020 (3)	−0.004 (3)
N312	0.067 (3)	0.048 (3)	0.091 (4)	0.003 (2)	−0.019 (3)	−0.004 (3)
N309	0.074 (3)	0.046 (3)	0.093 (4)	0.012 (2)	−0.007 (3)	0.005 (3)
N303	0.074 (3)	0.055 (3)	0.078 (3)	0.009 (3)	−0.016 (3)	0.005 (3)
N308	0.070 (3)	0.036 (3)	0.118 (5)	−0.001 (2)	−0.020 (3)	−0.006 (3)
N305	0.080 (3)	0.061 (4)	0.084 (4)	0.015 (3)	−0.011 (3)	−0.002 (3)
N302	0.077 (3)	0.054 (3)	0.090 (4)	−0.001 (3)	−0.023 (3)	0.009 (3)
N301	0.089 (4)	0.087 (5)	0.114 (6)	0.020 (4)	−0.035 (5)	−0.021 (5)
C309	0.065 (3)	0.055 (4)	0.065 (3)	−0.004 (3)	−0.010 (3)	0.003 (3)
C303	0.061 (3)	0.058 (4)	0.089 (5)	0.006 (3)	−0.021 (3)	0.011 (4)
C324	0.066 (3)	0.042 (3)	0.107 (5)	0.004 (3)	−0.008 (4)	0.004 (3)
C307	0.070 (3)	0.063 (4)	0.070 (4)	0.002 (3)	−0.017 (3)	0.004 (3)
C310	0.070 (3)	0.048 (3)	0.083 (4)	0.004 (3)	−0.020 (3)	−0.005 (3)
C326	0.057 (3)	0.041 (3)	0.101 (5)	−0.001 (2)	−0.015 (3)	0.008 (3)
N307	0.115 (5)	0.047 (4)	0.162 (8)	−0.016 (4)	0.033 (6)	−0.009 (5)
C306	0.072 (3)	0.047 (3)	0.074 (4)	0.002 (3)	−0.019 (3)	−0.003 (3)
N311	0.087 (4)	0.062 (4)	0.141 (6)	0.024 (3)	−0.056 (4)	−0.027 (4)
C311	0.064 (3)	0.063 (4)	0.078 (4)	0.007 (3)	−0.010 (3)	0.003 (3)
C325	0.066 (3)	0.043 (3)	0.103 (5)	0.006 (3)	−0.017 (3)	−0.009 (3)
C334	0.066 (3)	0.044 (3)	0.085 (4)	0.006 (3)	−0.020 (3)	−0.006 (3)
C327	0.068 (3)	0.048 (4)	0.110 (5)	0.011 (3)	−0.028 (4)	−0.010 (4)
N306	0.169 (8)	0.061 (4)	0.117 (6)	−0.021 (5)	0.051 (6)	−0.002 (4)
C308	0.090 (4)	0.056 (4)	0.083 (4)	0.006 (3)	−0.011 (4)	0.006 (4)
C336	0.094 (5)	0.057 (4)	0.098 (5)	−0.001 (4)	−0.041 (4)	−0.002 (4)
C321	0.078 (4)	0.046 (4)	0.115 (6)	0.002 (3)	−0.003 (4)	0.001 (4)
C302	0.077 (4)	0.073 (5)	0.093 (5)	0.020 (4)	−0.021 (4)	0.000 (4)
C328	0.098 (5)	0.061 (4)	0.097 (5)	0.013 (4)	−0.041 (5)	−0.009 (4)
C316	0.089 (4)	0.059 (4)	0.089 (5)	−0.010 (4)	−0.007 (4)	−0.001 (4)
C335	0.085 (4)	0.040 (3)	0.109 (5)	−0.012 (3)	−0.033 (4)	0.001 (4)
C313	0.102 (5)	0.077 (5)	0.097 (5)	0.035 (4)	0.014 (5)	0.013 (5)
C312	0.096 (5)	0.073 (5)	0.101 (6)	0.028 (4)	0.016 (5)	0.018 (5)
C301	0.079 (4)	0.063 (4)	0.100 (5)	0.013 (3)	−0.021 (4)	−0.004 (4)
C331	0.090 (5)	0.055 (4)	0.140 (7)	0.010 (4)	−0.058 (5)	0.002 (5)
C320	0.117 (6)	0.037 (4)	0.185 (11)	0.009 (4)	−0.042 (7)	0.019 (5)
C315	0.119 (7)	0.092 (7)	0.117 (7)	0.024 (6)	0.030 (6)	0.033 (6)
C329	0.093 (5)	0.056 (4)	0.135 (7)	0.026 (4)	−0.046 (5)	−0.011 (5)
C330	0.114 (6)	0.050 (4)	0.183 (11)	0.011 (4)	−0.079 (7)	−0.018 (6)
C319	0.117 (7)	0.070 (6)	0.206 (14)	0.023 (6)	0.015 (9)	0.034 (8)
C333	0.124 (7)	0.051 (4)	0.168 (10)	−0.002 (4)	−0.086 (7)	−0.003 (5)
C305	0.123 (8)	0.106 (9)	0.177 (13)	0.061 (7)	−0.047 (9)	0.025 (9)
C304	0.120 (7)	0.135 (10)	0.116 (7)	0.052 (7)	0.002 (6)	0.038 (7)
C332	0.105 (5)	0.046 (4)	0.142 (8)	−0.002 (4)	−0.060 (6)	−0.001 (5)
C317	0.144 (9)	0.062 (5)	0.156 (10)	0.005 (6)	0.043 (8)	0.018 (6)
C322	0.156 (9)	0.052 (5)	0.140 (9)	−0.007 (5)	−0.032 (8)	−0.004 (5)
C318	0.133 (8)	0.079 (7)	0.168 (11)	0.005 (6)	0.049 (8)	0.018 (7)
C314	0.161 (11)	0.082 (7)	0.155 (11)	0.014 (7)	0.042 (9)	0.020 (7)
C323	0.176 (11)	0.060 (6)	0.145 (10)	−0.020 (7)	−0.026 (9)	0.008 (6)
I302	0.1205 (8)	0.0612 (10)	0.289 (4)	0.0074 (7)	−0.1073 (15)	−0.0335 (13)
Zn31	0.0798 (19)	0.083 (3)	0.162 (4)	0.0283 (16)	−0.049 (2)	−0.047 (3)
I301	0.0921 (9)	0.288 (4)	0.1476 (18)	0.0486 (14)	−0.0289 (10)	−0.121 (2)
I306	0.212 (3)	0.0653 (14)	0.347 (5)	0.0559 (18)	0.164 (3)	0.078 (2)
Zn33	0.203 (7)	0.0334 (14)	0.205 (6)	−0.012 (3)	0.103 (5)	−0.002 (3)
I305	0.359 (6)	0.106 (2)	0.195 (3)	−0.118 (3)	0.139 (3)	−0.069 (2)
I404	0.0794 (15)	0.0564 (13)	0.142 (3)	−0.0056 (12)	−0.0186 (17)	0.0171 (16)
Zn42	0.109 (5)	0.042 (3)	0.113 (5)	−0.012 (3)	−0.051 (4)	0.009 (3)
I403	0.137 (4)	0.119 (3)	0.127 (3)	−0.058 (3)	−0.033 (3)	0.018 (2)

Geometric parameters (Å, º)

I303—Zn32	2.527 (3)	C334—C333	1.378 (10)
I304—Zn32	2.532 (4)	C327—C328	1.420 (11)
I402—Zn41	2.528 (14)	C327—C331	1.335 (11)
I405—Zn43	2.529 (5)	N306—C318	1.332 (16)
I406—Zn43	2.536 (5)	N306—C314	1.363 (18)
I401—Zn41	2.501 (15)	N306—Zn33	2.077 (11)
Zn32—N312^i	2.118 (7)	N306—Zn53	2.14 (5)
Zn32—N305	2.072 (8)	C308—C316	1.439 (13)
Zn41—N301	2.033 (14)	C336—H336	0.9500
Zn41—N311^ii	2.086 (13)	C336—C335	1.384 (10)
Zn43—N307	2.102 (9)	C321—C320	1.336 (12)
Zn43—N306	2.075 (11)	C321—C322	1.386 (13)
N304—C307	1.316 (11)	C302—H302	0.9500
N304—C308	1.333 (10)	C302—C301	1.419 (12)
N310—C326	1.323 (8)	C328—H328	0.9500
N310—C325	1.329 (9)	C328—C329	1.364 (11)
N312—C336	1.324 (9)	C316—C315	1.362 (13)
N312—C332	1.317 (10)	C316—C317	1.341 (16)
N312—Zn42^iii	2.031 (10)	C335—H335	0.9500
N309—C324	1.333 (9)	C313—H313	0.9500
N309—C325	1.342 (9)	C313—C312	1.380 (13)
N303—C307	1.326 (10)	C312—H312	0.9500
N303—C306	1.345 (10)	C301—H301	0.9500
N308—C324	1.324 (9)	C331—H331	0.9500
N308—C326	1.328 (9)	C331—C330	1.353 (11)
N305—C311	1.359 (10)	C320—H320	0.9500
N305—C312	1.311 (12)	C320—C319	1.391 (15)
N305—Zn42	2.048 (10)	C315—H315	0.9500
N302—C306	1.288 (11)	C315—C314	1.340 (18)
N302—C308	1.357 (11)	C329—H329	0.9500
N301—C301	1.307 (12)	C330—H330	0.9500
N301—C305	1.302 (19)	C319—H319	0.9500
N301—Zn31	2.045 (9)	C333—H333	0.9500
N301—Zn51	1.93 (3)	C333—C332	1.383 (12)
C309—C307	1.505 (10)	C305—H305	0.9500
C309—C310	1.381 (11)	C305—C304	1.389 (18)
C309—C313	1.380 (11)	C304—H304	0.9500
C303—C306	1.494 (11)	C332—H332	0.9500
C303—C302	1.313 (13)	C317—H317	0.9500
C303—C304	1.386 (13)	C317—C318	1.387 (18)
C324—C321	1.516 (10)	C322—H322	0.9500
C310—H310	0.9500	C322—C323	1.331 (14)
C310—C311	1.369 (10)	C318—H318	0.9500
C326—C334	1.485 (9)	C314—H314	0.9500
N307—C319	1.321 (17)	C323—H323	0.9500
N307—C323	1.295 (15)	I302—Zn31	2.552 (5)
N307—Zn33	2.095 (9)	Zn31—I301	2.523 (5)
N307—Zn53	2.30 (6)	I306—Zn33	2.508 (7)
N311—C329	1.330 (12)	Zn33—I305	2.555 (8)
N311—C330	1.299 (12)	I404—Zn42	2.540 (8)
N311—Zn31^iv	2.070 (7)	Zn42—I403	2.526 (8)
N311—Zn51^iv	2.10 (3)	I502—Zn51	2.50 (3)
C311—H311	0.9500	I501—Zn51	2.54 (2)
C325—C327	1.464 (9)	I506—Zn53	2.43 (5)
C334—C335	1.358 (10)	I505—Zn53	2.55 (5)
I303—Zn32—I304	130.9 (3)	N312—C336—C335	122.7 (7)
N312^i—Zn32—I303	102.4 (3)	C335—C336—H336	118.7
N312^i—Zn32—I304	107.4 (2)	C320—C321—C324	124.0 (7)
N305—Zn32—I303	108.8 (3)	C320—C321—C322	116.6 (8)
N305—Zn32—I304	105.9 (3)	C322—C321—C324	119.3 (7)
N305—Zn32—N312^i	96.1 (3)	C303—C302—H302	118.7
I401—Zn41—I402	129.9 (7)	C303—C302—C301	122.7 (8)
N301—Zn41—I402	105.8 (8)	C301—C302—H302	118.7
N301—Zn41—I401	102.3 (7)	C327—C328—H328	121.3
N301—Zn41—N311^ii	101.1 (6)	C329—C328—C327	117.4 (8)
N311^ii—Zn41—I402	110.8 (7)	C329—C328—H328	121.3
N311^ii—Zn41—I401	103.3 (7)	C315—C316—C308	122.6 (8)
I405—Zn43—I406	121.7 (3)	C317—C316—C308	121.4 (9)
N307—Zn43—I405	109.8 (4)	C317—C316—C315	116.0 (10)
N307—Zn43—I406	108.9 (3)	C334—C335—C336	119.3 (6)
N306—Zn43—I405	112.1 (4)	C334—C335—H335	120.3
N306—Zn43—I406	101.9 (4)	C336—C335—H335	120.3
N306—Zn43—N307	100.0 (4)	C309—C313—H313	120.8
C307—N304—C308	115.3 (7)	C312—C313—C309	118.4 (9)
C326—N310—C325	116.2 (6)	C312—C313—H313	120.8
C336—N312—Zn32^iii	120.3 (5)	N305—C312—C313	123.5 (8)
C336—N312—Zn42^iii	121.9 (5)	N305—C312—H312	118.2
C332—N312—Zn32^iii	121.6 (5)	C313—C312—H312	118.2
C332—N312—C336	117.3 (6)	N301—C301—C302	120.5 (10)
C332—N312—Zn42^iii	119.8 (5)	N301—C301—H301	119.7
C324—N309—C325	114.8 (6)	C302—C301—H301	119.7
C307—N303—C306	113.8 (7)	C327—C331—H331	119.4
C324—N308—C326	115.5 (5)	C327—C331—C330	121.2 (8)
C311—N305—Zn32	123.3 (6)	C330—C331—H331	119.4
C311—N305—Zn42	121.4 (6)	C321—C320—H320	120.1
C312—N305—Zn32	119.5 (5)	C321—C320—C319	119.8 (10)
C312—N305—C311	117.0 (7)	C319—C320—H320	120.1
C312—N305—Zn42	121.0 (6)	C316—C315—H315	118.7
C306—N302—C308	115.6 (7)	C314—C315—C316	122.5 (11)
C301—N301—Zn41	126.1 (10)	C314—C315—H315	118.7
C301—N301—Zn31	122.4 (9)	N311—C329—C328	124.0 (7)
C301—N301—Zn51	143.9 (11)	N311—C329—H329	118.0
C305—N301—Zn41	116.6 (8)	C328—C329—H329	118.0
C305—N301—C301	117.2 (9)	N311—C330—C331	123.8 (9)
C305—N301—Zn31	120.0 (7)	N311—C330—H330	118.1
C305—N301—Zn51	99.0 (9)	C331—C330—H330	118.1
C310—C309—C307	121.3 (7)	N307—C319—C320	121.7 (11)
C313—C309—C307	119.0 (7)	N307—C319—H319	119.2
C313—C309—C310	119.5 (7)	C320—C319—H319	119.2
C302—C303—C306	123.7 (7)	C334—C333—H333	121.2
C302—C303—C304	116.4 (8)	C334—C333—C332	117.6 (8)
C304—C303—C306	119.9 (9)	C332—C333—H333	121.2
N309—C324—C321	118.2 (6)	N301—C305—H305	117.6
N308—C324—N309	125.0 (6)	N301—C305—C304	124.9 (11)
N308—C324—C321	116.8 (6)	C304—C305—H305	117.6
N304—C307—N303	126.0 (7)	C303—C304—C305	117.9 (13)
N304—C307—C309	116.8 (7)	C303—C304—H304	121.0
N303—C307—C309	117.2 (7)	C305—C304—H304	121.0
C309—C310—H310	121.3	N312—C332—C333	124.2 (7)
C311—C310—C309	117.5 (7)	N312—C332—H332	117.9
C311—C310—H310	121.3	C333—C332—H332	117.9
N310—C326—N308	124.3 (6)	C316—C317—H317	119.1
N310—C326—C334	118.5 (6)	C316—C317—C318	121.8 (11)
N308—C326—C334	117.2 (6)	C318—C317—H317	119.1
C319—N307—Zn43	128.3 (8)	C321—C322—H322	119.9
C319—N307—Zn33	112.6 (8)	C323—C322—C321	120.2 (10)
C319—N307—Zn53	90.4 (14)	C323—C322—H322	119.9
C323—N307—Zn43	113.8 (8)	N306—C318—C317	121.0 (12)
C323—N307—C319	117.6 (9)	N306—C318—H318	119.5
C323—N307—Zn33	129.6 (8)	C317—C318—H318	119.5
C323—N307—Zn53	150.6 (15)	N306—C314—H314	119.4
N303—C306—C303	115.7 (8)	C315—C314—N306	121.3 (12)
N302—C306—N303	125.9 (7)	C315—C314—H314	119.4
N302—C306—C303	118.3 (7)	N307—C323—C322	123.5 (11)
Zn41^iv—N311—Zn51^iv	17.4 (8)	N307—C323—H323	118.3
C329—N311—Zn41^iv	121.2 (7)	C322—C323—H323	118.3
C329—N311—Zn31^iv	118.1 (6)	N301—Zn31—N311^ii	101.2 (3)
C329—N311—Zn51^iv	127.9 (9)	N301—Zn31—I302	105.7 (4)
C330—N311—Zn41^iv	122.1 (7)	N301—Zn31—I301	108.2 (4)
C330—N311—C329	116.7 (7)	N311^ii—Zn31—I302	103.7 (3)
C330—N311—Zn31^iv	124.9 (6)	N311^ii—Zn31—I301	108.0 (4)
C330—N311—Zn51^iv	113.6 (10)	I301—Zn31—I302	127.1 (2)
Zn31^iv—N311—Zn41^iv	4.2 (6)	N307—Zn33—I306	116.0 (4)
Zn31^iv—N311—Zn51^iv	21.4 (5)	N307—Zn33—I305	98.9 (4)
N305—C311—C310	123.8 (8)	N306—Zn33—N307	100.2 (4)
N305—C311—H311	118.1	N306—Zn33—I306	112.4 (4)
C310—C311—H311	118.1	N306—Zn33—I305	101.1 (4)
N310—C325—N309	124.0 (6)	I306—Zn33—I305	124.5 (3)
N310—C325—C327	116.3 (6)	N312^i—Zn42—N305	99.6 (4)
N309—C325—C327	119.6 (6)	N312^i—Zn42—I404	108.3 (4)
C335—C334—C326	122.3 (6)	N312^i—Zn42—I403	108.3 (5)
C335—C334—C333	118.9 (7)	N305—Zn42—I404	108.3 (4)
C333—C334—C326	118.8 (7)	N305—Zn42—I403	106.6 (4)
C328—C327—C325	119.8 (7)	I403—Zn42—I404	123.3 (4)
C331—C327—C325	123.4 (7)	N301—Zn51—N311^ii	104.3 (13)
C331—C327—C328	116.6 (7)	N301—Zn51—I502	117.7 (11)
C318—N306—Zn43	125.9 (9)	N301—Zn51—I501	92.8 (10)
C318—N306—C314	117.2 (11)	N311^ii—Zn51—I502	119.6 (11)
C318—N306—Zn33	113.3 (9)	N311^ii—Zn51—I501	90.9 (9)
C318—N306—Zn53	94.9 (17)	I502—Zn51—I501	125.6 (12)
C314—N306—Zn43	116.7 (9)	N307—Zn53—I506	127 (3)
C314—N306—Zn33	129.2 (9)	N307—Zn53—I505	87.0 (17)
C314—N306—Zn53	141.4 (18)	N306—Zn53—N307	92 (2)
N304—C308—N302	123.4 (9)	N306—Zn53—I506	131 (3)
N304—C308—C316	118.0 (8)	N306—Zn53—I505	89.2 (18)
N302—C308—C316	118.6 (7)	I506—Zn53—I505	118 (2)
N312—C336—H336	118.7
Zn32^iii—N312—C336—C335	169.8 (8)	C325—N309—C324—C321	173.3 (8)
Zn32^iii—N312—C332—C333	−167.8 (11)	C325—C327—C328—C329	176.9 (10)
Zn32—N305—C311—C310	168.5 (5)	C325—C327—C331—C330	−178.6 (12)
Zn32—N305—C312—C313	−168.5 (8)	C334—C333—C332—N312	−2 (2)
Zn41—N301—C301—C302	178.7 (8)	C327—C328—C329—N311	5.4 (18)
Zn41—N301—C305—C304	177.2 (13)	C327—C331—C330—N311	−2 (2)
Zn41^iv—N311—C329—C328	175.6 (11)	C308—N304—C307—N303	−0.7 (10)
Zn41^iv—N311—C330—C331	−177.5 (12)	C308—N304—C307—C309	176.8 (6)
Zn43—N307—C319—C320	178.3 (11)	C308—N302—C306—N303	−0.7 (10)
Zn43—N307—C323—C322	−176.6 (14)	C308—N302—C306—C303	−178.6 (6)
Zn43—N306—C318—C317	−170.1 (10)	C308—C316—C315—C314	179.0 (12)
Zn43—N306—C314—C315	171.7 (11)	C308—C316—C317—C318	−178.0 (11)
N304—C308—C316—C315	165.3 (9)	C336—N312—C332—C333	2.2 (18)
N304—C308—C316—C317	−14.2 (12)	C321—C320—C319—N307	5 (2)
N310—C326—C334—C335	−4.0 (13)	C321—C322—C323—N307	−7 (3)
N310—C326—C334—C333	177.4 (10)	C302—C303—C306—N303	24.3 (10)
N310—C325—C327—C328	178.0 (8)	C302—C303—C306—N302	−157.6 (7)
N310—C325—C327—C331	2.4 (14)	C302—C303—C304—C305	−5.1 (18)
N312—C336—C335—C334	−1.3 (16)	C328—C327—C331—C330	5.6 (18)
N309—C324—C321—C320	−5.1 (16)	C316—C315—C314—N306	2 (2)
N309—C324—C321—C322	178.8 (11)	C316—C317—C318—N306	−4 (2)
N309—C325—C327—C328	−0.1 (13)	C335—C334—C333—C332	0.6 (18)
N309—C325—C327—C331	−175.7 (10)	C313—C309—C307—N304	2.9 (9)
N308—C324—C321—C320	173.3 (11)	C313—C309—C307—N303	−179.3 (7)
N308—C324—C321—C322	−2.8 (14)	C313—C309—C310—C311	0.8 (10)
N308—C326—C334—C335	177.4 (9)	C312—N305—C311—C310	−5.9 (11)
N308—C326—C334—C333	−1.1 (13)	C301—N301—C305—C304	−7 (2)
N302—C308—C316—C315	−13.7 (12)	C331—C327—C328—C329	−7.2 (15)
N302—C308—C316—C317	166.8 (9)	C320—C321—C322—C323	4 (2)
N301—C305—C304—C303	8 (2)	C315—C316—C317—C318	2.5 (17)
C309—C310—C311—N305	2.5 (10)	C329—N311—C330—C331	0 (2)
C309—C313—C312—N305	−3.2 (15)	C330—N311—C329—C328	−1.5 (19)
C303—C302—C301—N301	−1.3 (13)	C319—N307—C323—C322	9 (2)
C324—N309—C325—N310	1.4 (12)	C333—C334—C335—C336	1.1 (16)
C324—N309—C325—C327	179.3 (8)	C305—N301—C301—C302	3.5 (15)
C324—N308—C326—N310	−1.9 (13)	C304—C303—C306—N303	−155.1 (9)
C324—N308—C326—C334	176.5 (7)	C304—C303—C306—N302	23.0 (12)
C324—C321—C320—C319	−179.7 (12)	C304—C303—C302—C301	2.1 (14)
C324—C321—C322—C323	−179.4 (14)	C332—N312—C336—C335	−0.3 (15)
C307—N304—C308—N302	−2.0 (10)	C317—C316—C315—C314	−1.5 (18)
C307—N304—C308—C316	179.1 (6)	C322—C321—C320—C319	−3 (2)
C307—N303—C306—N302	−1.7 (9)	C318—N306—C314—C315	−3 (2)
C307—N303—C306—C303	176.3 (6)	C314—N306—C318—C317	4.1 (19)
C307—C309—C310—C311	−176.3 (6)	C323—N307—C319—C320	−8 (2)
C307—C309—C313—C312	176.6 (8)	Zn31—N301—C301—C302	176.2 (6)
C310—C309—C307—N304	180.0 (6)	Zn31—N301—C305—C304	−180.0 (12)
C310—C309—C307—N303	−2.3 (9)	Zn31^iv—N311—C329—C328	172.4 (9)
C310—C309—C313—C312	−0.5 (12)	Zn31^iv—N311—C330—C331	−173.9 (11)
C326—N310—C325—N309	1.4 (12)	Zn33—N307—C319—C320	176.7 (12)
C326—N310—C325—C327	−176.6 (8)	Zn33—N307—C323—C322	−176.6 (13)
C326—N308—C324—N309	5.2 (13)	Zn33—N306—C318—C317	178.6 (11)
C326—N308—C324—C321	−173.1 (8)	Zn33—N306—C314—C315	−176.6 (10)
C326—C334—C335—C336	−177.4 (9)	Zn42^iii—N312—C336—C335	168.2 (8)
C326—C334—C333—C332	179.2 (11)	Zn42^iii—N312—C332—C333	−166.6 (11)
C306—N303—C307—N304	2.4 (10)	Zn42—N305—C311—C310	165.5 (6)
C306—N303—C307—C309	−175.1 (5)	Zn42—N305—C312—C313	−165.3 (8)
C306—N302—C308—N304	2.6 (10)	Zn51—N301—C301—C302	−176.1 (15)
C306—N302—C308—C316	−178.5 (6)	Zn51—N301—C305—C304	172.7 (16)
C306—C303—C302—C301	−177.3 (7)	Zn51^iv—N311—C329—C328	−164.9 (12)
C306—C303—C304—C305	174.4 (11)	Zn51^iv—N311—C330—C331	165.2 (14)
C311—N305—C312—C313	6.2 (13)	Zn53—N307—C319—C320	−178.4 (19)
C325—N310—C326—N308	−1.2 (12)	Zn53—N307—C323—C322	169 (3)
C325—N310—C326—C334	−179.6 (7)	Zn53—N306—C318—C317	162.0 (19)
C325—N309—C324—N308	−4.9 (12)	Zn53—N306—C314—C315	−146 (2)

Symmetry codes: (i) x, −y+1, z+1/2; (ii) x−1/2, y−1/2, z; (iii) x, −y+1, z−1/2; (iv) x+1/2, y+1/2, z.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (25_1_48a)

Crystal data

C72H48I12N24Zn6·0.456(C15H16O3)	F(000) = 6093
Mr = 3275.85	Dx = 1.371 Mg m^−3
Monoclinic, P2/n	Cu Kα radiation, λ = 1.54184 Å
a = 31.4246 (9) Å	Cell parameters from 13409 reflections
b = 14.9857 (3) Å	θ = 3.4–68.5°
c = 34.4395 (9) Å	µ = 19.61 mm^−1
β = 101.976 (3)°	T = 100 K
V = 15865.2 (7) Å^3	Block, light yellow
Z = 4	0.14 × 0.12 × 0.06 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	28477 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	17182 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.058
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.1°
profile data from ω–scans	h = −36→37
Absorption correction: analytical CrysAlisPro 1.171.41.89a (Rigaku Oxford Diffraction, 2020) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −16→18
Tmin = 0.130, Tmax = 0.431	l = −36→41
98894 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.098	H-atom parameters constrained
wR(F^2) = 0.342	w = 1/[σ^2(Fo^2) + (0.1818P)^2 + 82.1832P] where P = (Fo^2 + 2Fc^2)/3
S = 1.03	(Δ/σ)max < 0.001
28477 reflections	Δρmax = 1.30 e Å^−3
1345 parameters	Δρmin = −0.70 e Å^−3
329 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I409	0.5782 (10)	0.0077 (9)	0.3632 (8)	0.129 (7)	0.25 (3)
I301	0.8728 (2)	0.6056 (4)	1.23071 (18)	0.0999 (13)	0.4762
I308	0.70501 (9)	0.98082 (17)	0.51203 (10)	0.0867 (8)	0.639 (12)
I305	0.5984 (3)	0.5148 (7)	0.8633 (3)	0.207 (7)	0.53 (4)
I412	0.3594 (3)	0.9002 (5)	0.2253 (3)	0.090 (2)	0.41 (3)
I302	0.9331 (3)	0.5216 (6)	1.1279 (3)	0.158 (3)	0.4762
I410	0.4863 (5)	0.1847 (17)	0.4077 (6)	0.145 (5)	0.25 (3)
I411	0.4353 (3)	0.9969 (4)	0.1358 (2)	0.095 (2)	0.41 (3)
I307	0.80277 (8)	0.9059 (2)	0.61929 (10)	0.1010 (11)	0.639 (12)
I306	0.4985 (6)	0.6628 (9)	0.8999 (2)	0.147 (4)	0.53 (4)
I303	0.67168 (13)	1.46346 (13)	0.99390 (7)	0.1159 (10)	0.682 (5)
I304	0.77824 (8)	1.45621 (10)	1.09896 (7)	0.1101 (9)	0.682 (5)
Zn45	0.5452 (6)	0.1592 (15)	0.3745 (8)	0.077 (5)	0.25 (3)
Zn31	0.90199 (17)	0.6353 (6)	1.1711 (4)	0.0753 (18)	0.4762
Zn33	0.5714 (5)	0.6555 (9)	0.8781 (4)	0.071 (3)	0.53 (4)
Zn46	0.3946 (4)	0.8797 (8)	0.1683 (4)	0.064 (2)	0.41 (3)
Zn34	0.72900 (17)	0.8869 (4)	0.5741 (2)	0.0738 (13)	0.639 (12)
Zn32	0.70526 (15)	1.40143 (16)	1.06132 (11)	0.0785 (9)	0.682 (5)
N304	0.6903 (3)	0.9421 (5)	1.0192 (3)	0.066 (3)
N302	0.7294 (3)	0.8073 (5)	1.0350 (3)	0.065 (3)
N316	0.7259 (3)	0.2990 (6)	0.5243 (3)	0.066 (3)
N309	0.5334 (3)	0.9754 (6)	0.7274 (3)	0.065 (3)
N314	0.6897 (3)	0.4378 (6)	0.5089 (3)	0.076 (3)
N303	0.7495 (3)	0.9369 (5)	1.0733 (3)	0.060 (2)
N320	0.5206 (3)	0.4801 (6)	0.2233 (3)	0.068 (3)
N311	0.4550 (3)	1.2607 (6)	0.6855 (4)	0.072 (3)
N321	0.5763 (4)	0.3967 (6)	0.2044 (3)	0.068 (3)
N305	0.7118 (5)	1.2614 (6)	1.0594 (4)	0.088 (4)
N315	0.7477 (3)	0.4260 (6)	0.5647 (3)	0.073 (3)
N301	0.8600 (3)	0.7113 (6)	1.1338 (3)	0.083 (4)
N313	0.7200 (4)	0.7538 (7)	0.5592 (4)	0.089 (3)
N324	0.4453 (4)	0.7714 (7)	0.1820 (4)	0.080 (4)
N319	0.5481 (4)	0.2309 (8)	0.3232 (3)	0.076 (3)
N318	0.6030 (3)	0.2184 (6)	0.4123 (3)	0.080 (3)
N307	0.5617 (4)	0.7328 (7)	0.8296 (3)	0.080 (3)
N306	0.6101 (4)	0.7198 (6)	0.9215 (3)	0.081 (4)
N322	0.5519 (4)	0.5315 (6)	0.1706 (3)	0.077 (3)
C362	0.5255 (4)	0.5393 (7)	0.1949 (3)	0.062 (3)
N310	0.5646 (4)	1.0247 (7)	0.6747 (3)	0.074 (3)
C309	0.7145 (4)	1.0782 (6)	1.0538 (3)	0.064 (3)
C357	0.5464 (5)	0.3464 (7)	0.2602 (4)	0.071 (4)
C344	0.6938 (4)	0.3496 (7)	0.5031 (4)	0.073 (4)
C327	0.5100 (4)	1.1133 (7)	0.6948 (4)	0.067 (3)
C325	0.5371 (4)	1.0334 (7)	0.6991 (3)	0.059 (3)
N317	0.8549 (4)	0.1954 (6)	0.6264 (3)	0.087 (4)
N308	0.5892 (4)	0.8913 (6)	0.7097 (3)	0.078 (3)
C306	0.7536 (4)	0.8503 (6)	1.0646 (4)	0.064 (3)
N323	0.6668 (7)	0.4173 (8)	0.0991 (4)	0.115 (6)
C343	0.7506 (4)	0.3397 (6)	0.5544 (4)	0.066 (3)
C328	0.4865 (4)	1.1363 (8)	0.7223 (4)	0.073 (4)
H328	0.488677	1.101218	0.745587	0.088*
C308	0.6958 (4)	0.8551 (7)	1.0135 (3)	0.067 (3)
C370	0.4993 (4)	0.6209 (8)	0.1908 (4)	0.072 (4)
C321	0.5612 (5)	0.8460 (8)	0.7655 (4)	0.074 (4)
C316	0.6659 (4)	0.8075 (7)	0.9815 (3)	0.065 (3)
C360	0.5489 (4)	0.4112 (7)	0.2268 (3)	0.065 (3)
C307	0.7178 (4)	0.9804 (6)	1.0489 (3)	0.059 (3)
C324	0.5612 (5)	0.9066 (8)	0.7317 (4)	0.070 (4)
C303	0.7907 (4)	0.8006 (7)	1.0890 (4)	0.070 (4)
C369	0.4726 (5)	0.6414 (8)	0.2171 (4)	0.083 (5)
H369	0.472157	0.603518	0.239105	0.100*
N312	0.6798 (5)	0.9052 (7)	0.6053 (4)	0.090 (4)
C352	0.6629 (4)	0.3037 (7)	0.4711 (4)	0.072 (4)
C315	0.6734 (5)	0.7209 (7)	0.9725 (4)	0.081 (4)
H315	0.698033	0.689976	0.987125	0.097*
C349	0.7940 (4)	0.2003 (8)	0.5727 (4)	0.075 (4)
H349	0.775097	0.169905	0.551799	0.090*
C353	0.6673 (5)	0.2152 (8)	0.4625 (4)	0.085 (4)
H353	0.691234	0.182216	0.476974	0.102*
C329	0.4592 (4)	1.2102 (8)	0.7167 (4)	0.077 (4)
H329	0.443129	1.224302	0.736388	0.092*
C342	0.7175 (4)	0.4721 (7)	0.5403 (4)	0.071 (4)
C339	0.7169 (4)	0.5693 (8)	0.5463 (4)	0.073 (4)
C317	0.6298 (5)	0.8510 (8)	0.9591 (4)	0.093 (5)
H317	0.623747	0.911622	0.964009	0.111*
C368	0.4468 (5)	0.7163 (8)	0.2112 (4)	0.078 (4)
H368	0.428887	0.728374	0.229641	0.093*
C334	0.6219 (5)	0.9363 (10)	0.6549 (5)	0.087 (4)
C345	0.7869 (4)	0.2887 (7)	0.5796 (4)	0.074 (4)
C326	0.5911 (5)	0.9530 (8)	0.6811 (4)	0.084 (4)
C358	0.5190 (5)	0.3563 (9)	0.2846 (4)	0.081 (4)
H358	0.498156	0.403191	0.280545	0.097*
C359	0.5211 (5)	0.2978 (9)	0.3161 (4)	0.084 (4)
H359	0.501663	0.306815	0.333523	0.101*
C354	0.6379 (5)	0.1743 (7)	0.4338 (4)	0.084 (5)
H354	0.641806	0.112977	0.428450	0.101*
C302	0.8182 (5)	0.8413 (8)	1.1206 (5)	0.106 (6)
H302	0.814019	0.902305	1.126292	0.127*
C310	0.7388 (5)	1.1217 (8)	1.0861 (4)	0.082 (4)
H310	0.757267	1.088915	1.106507	0.098*
C361	0.5774 (5)	0.4572 (8)	0.1759 (4)	0.083 (4)
C318	0.6037 (5)	0.8042 (8)	0.9301 (5)	0.107 (6)
H318	0.578996	0.833757	0.914889	0.128*
C350	0.6002 (5)	0.3043 (8)	0.4204 (5)	0.108 (6)
H350	0.576419	0.336228	0.405084	0.130*
C331	0.5076 (5)	1.1678 (9)	0.6620 (5)	0.091 (4)
H331	0.523896	1.156139	0.642182	0.109*
C311	0.7362 (6)	1.2128 (9)	1.0886 (5)	0.100 (5)
H311	0.752093	1.242320	1.111464	0.119*
C304	0.7984 (4)	0.7127 (8)	1.0804 (4)	0.079 (4)
H304	0.779851	0.682832	1.059034	0.095*
C305	0.8341 (4)	0.6685 (8)	1.1036 (5)	0.087 (5)
H305	0.840060	0.608293	1.097985	0.104*
C313	0.6881 (6)	1.1292 (8)	1.0251 (4)	0.093 (5)
H313	0.669024	1.101652	1.003443	0.111*
C337	0.7428 (7)	0.6961 (10)	0.5863 (6)	0.110 (6)
H337	0.759358	0.718698	0.610598	0.132*
C340	0.6913 (5)	0.6268 (9)	0.5202 (5)	0.092 (5)
H340	0.671126	0.604320	0.497881	0.110*
C314	0.6451 (5)	0.6785 (8)	0.9421 (4)	0.088 (5)
H314	0.650753	0.618578	0.935706	0.106*
C312	0.6900 (6)	1.2204 (9)	1.0285 (4)	0.097 (5)
H312	0.674548	1.255228	1.007073	0.116*
C301	0.8510 (5)	0.7945 (8)	1.1434 (5)	0.113 (7)
H301	0.867912	0.821389	1.166484	0.135*
C341	0.6954 (6)	0.7200 (9)	0.5271 (5)	0.094 (5)
H341	0.679676	0.759508	0.507791	0.113*
C351	0.6277 (5)	0.3502 (8)	0.4481 (5)	0.100 (6)
H351	0.623614	0.412097	0.451988	0.120*
C320	0.5282 (6)	0.8433 (10)	0.7847 (5)	0.093 (5)
H320	0.503539	0.880219	0.775876	0.112*
C363	0.6074 (5)	0.4443 (9)	0.1492 (5)	0.089 (4)
C338	0.7423 (6)	0.6062 (8)	0.5792 (5)	0.100 (5)
H338	0.760273	0.568294	0.597882	0.120*
C346	0.8153 (6)	0.3302 (8)	0.6102 (6)	0.138 (9)
H346	0.812544	0.392008	0.615357	0.165*
C356	0.5704 (6)	0.2709 (12)	0.2630 (6)	0.109 (6)
H356	0.587096	0.256051	0.243781	0.131*
C348	0.8289 (4)	0.1541 (8)	0.5963 (4)	0.086 (5)
H348	0.834037	0.093394	0.590739	0.104*
C347	0.8475 (6)	0.2798 (10)	0.6330 (5)	0.127 (8)
H347	0.865780	0.307873	0.655096	0.152*
C364	0.6438 (8)	0.3891 (13)	0.1611 (6)	0.131 (8)
H364	0.650592	0.361161	0.186395	0.157*
C330	0.4789 (6)	1.2429 (9)	0.6596 (6)	0.100 (6)
H330	0.477122	1.282360	0.637726	0.120*
C319	0.5294 (6)	0.7871 (11)	0.8175 (5)	0.098 (5)
H319	0.506129	0.788863	0.831199	0.118*
C371	0.4981 (6)	0.6776 (11)	0.1597 (6)	0.113 (6)
H371	0.515189	0.666859	0.140490	0.135*
C335	0.6193 (6)	0.9794 (12)	0.6189 (5)	0.106 (6)
H335	0.597602	1.023780	0.611057	0.127*
C365	0.6698 (7)	0.3785 (12)	0.1320 (7)	0.120 (7)
H365	0.692705	0.336110	0.138388	0.145*
C355	0.5694 (6)	0.2145 (12)	0.2964 (7)	0.121 (7)
H355	0.585875	0.160925	0.298714	0.145*
C372	0.4704 (8)	0.7532 (12)	0.1570 (7)	0.126 (8)
H372	0.470031	0.793322	0.135548	0.151*
C367	0.6060 (10)	0.4874 (14)	0.1141 (6)	0.140 (9)
H367	0.583794	0.530571	0.105903	0.168*
C333	0.6572 (6)	0.8785 (14)	0.6658 (6)	0.125 (7)
H333	0.663063	0.849386	0.690807	0.150*
C336	0.6465 (7)	0.9604 (13)	0.5946 (6)	0.111 (6)
H336	0.641790	0.987350	0.569100	0.133*
C366	0.6339 (9)	0.4723 (14)	0.0910 (7)	0.142 (9)
H366	0.629794	0.503980	0.066644	0.171*
C332	0.6837 (7)	0.8651 (13)	0.6383 (6)	0.123 (7)
H332	0.706526	0.822631	0.644861	0.147*
C322	0.6003 (8)	0.7996 (18)	0.7829 (7)	0.108 (6)	0.638 (19)
H322	0.625864	0.804786	0.772431	0.129*	0.638 (19)
C323	0.5993 (8)	0.7467 (19)	0.8159 (8)	0.108 (6)	0.638 (19)
H323	0.625438	0.719311	0.829505	0.129*	0.638 (19)
I312	0.3733 (5)	0.9044 (5)	0.2245 (3)	0.137 (2)	0.59 (3)
Zn36	0.4074 (4)	0.8690 (6)	0.1656 (4)	0.086 (2)	0.59 (3)
I311	0.4397 (3)	0.9786 (7)	0.1239 (6)	0.155 (3)	0.59 (3)
I405	0.5996 (2)	0.5016 (6)	0.86419 (18)	0.104 (3)	0.47 (4)
Zn43	0.5580 (7)	0.6513 (11)	0.8785 (6)	0.085 (3)	0.47 (4)
I406	0.4881 (6)	0.6754 (9)	0.9017 (3)	0.138 (3)	0.47 (4)
I404	0.80515 (16)	1.4194 (3)	1.12191 (19)	0.124 (2)	0.318 (5)
Zn42	0.7308 (3)	1.3936 (4)	1.0777 (3)	0.087 (2)	0.318 (5)
I403	0.7051 (3)	1.4816 (3)	1.0147 (2)	0.121 (2)	0.318 (5)
I408	0.6809 (8)	0.9681 (6)	0.4970 (4)	0.182 (6)	0.361 (12)
Zn44	0.7128 (7)	0.8931 (8)	0.5621 (6)	0.135 (6)	0.361 (12)
I407	0.7868 (6)	0.9365 (7)	0.6014 (5)	0.199 (6)	0.361 (12)
I309	0.5905 (2)	0.0056 (4)	0.35537 (17)	0.1013 (12)	0.75 (3)
Zn35	0.5588 (3)	0.1515 (5)	0.37186 (18)	0.0665 (16)	0.75 (3)
I310	0.48667 (12)	0.1655 (4)	0.3962 (2)	0.1080 (14)	0.75 (3)
Zn41	0.91526 (15)	0.6415 (5)	1.1715 (3)	0.0715 (15)	0.5238
I402	0.9440 (2)	0.5279 (5)	1.1308 (2)	0.1124 (12)	0.5238
I401	0.88343 (19)	0.6005 (4)	1.2307 (2)	0.142 (2)	0.5238
C7A	0.3242 (6)	0.9578 (10)	0.7264 (7)	0.071 (5)	0.4563
C1A	0.3161 (5)	0.6790 (7)	0.6988 (6)	0.081 (6)	0.4563
H1A	0.314546	0.617365	0.692327	0.098*	0.4563
C2A	0.3223 (5)	0.7416 (10)	0.6707 (4)	0.072 (5)	0.4563
H2A	0.324924	0.722697	0.644996	0.086*	0.4563
C3A	0.3246 (4)	0.8319 (9)	0.6802 (4)	0.060 (4)	0.4563
H3A	0.328837	0.874625	0.661033	0.072*	0.4563
C4A	0.3208 (5)	0.8595 (7)	0.7179 (5)	0.065 (4)	0.4563
C5A	0.3146 (5)	0.7970 (10)	0.7460 (4)	0.071 (5)	0.4563
C6A	0.3123 (5)	0.7067 (9)	0.7365 (5)	0.081 (6)	0.4563
H6A	0.308078	0.663965	0.755695	0.097*	0.4563
O2A	0.3923 (5)	0.9300 (12)	0.7690 (6)	0.080 (5)	0.4563
C8A	0.3612 (7)	0.9906 (11)	0.7523 (8)	0.077 (6)	0.4563
C9A	0.3643 (9)	1.0812 (12)	0.7607 (9)	0.089 (7)	0.4563
H9A	0.389562	1.104029	0.777992	0.107*	0.4563
C11A	0.2952 (9)	1.1062 (13)	0.7173 (9)	0.098 (8)	0.4563
H11A	0.273686	1.146472	0.704040	0.117*	0.4563
O1A	0.2910 (5)	0.7688 (13)	0.8086 (6)	0.081 (5)	0.4563
H1AA	0.291891	0.717628	0.798919	0.121*	0.4563
C10A	0.3309 (9)	1.1386 (14)	0.7442 (9)	0.099 (8)	0.4563
H10A	0.332535	1.199975	0.751165	0.119*	0.4563
C14A	0.4310 (9)	0.961 (3)	0.7953 (13)	0.128 (14)	0.4563
H14A	0.450859	0.986112	0.779757	0.192*	0.4563
H14B	0.445234	0.910264	0.811016	0.192*	0.4563
H14C	0.423434	1.006189	0.813083	0.192*	0.4563
C422	0.5744 (16)	0.7556 (18)	0.7636 (9)	0.108 (6)	0.362 (19)
H422	0.581482	0.732045	0.740078	0.129*	0.362 (19)
C423	0.5766 (17)	0.703 (2)	0.7972 (9)	0.108 (6)	0.362 (19)
H423	0.588725	0.644445	0.797738	0.129*	0.362 (19)
O3A	0.2555 (6)	0.9762 (12)	0.6846 (6)	0.089 (5)	0.4563
C12A	0.2905 (7)	1.0151 (12)	0.7097 (7)	0.078 (6)	0.4563
C15A	0.2183 (11)	1.033 (3)	0.6713 (11)	0.115 (12)	0.4563
H15A	0.222246	1.066412	0.647976	0.172*	0.4563
H15B	0.215249	1.073999	0.692579	0.172*	0.4563
H15C	0.192081	0.995663	0.664323	0.172*	0.4563
C13A	0.3111 (9)	0.8309 (16)	0.7869 (6)	0.087 (6)	0.4563
H13A	0.340689	0.844616	0.802275	0.104*	0.4563
H13B	0.294190	0.887048	0.783827	0.104*	0.4563

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I409	0.135 (11)	0.039 (3)	0.157 (10)	−0.022 (4)	−0.098 (9)	0.013 (5)
I301	0.090 (4)	0.0730 (18)	0.124 (3)	0.0103 (17)	−0.006 (2)	0.0266 (18)
I308	0.1150 (18)	0.0418 (8)	0.1101 (16)	0.0182 (9)	0.0390 (13)	0.0168 (9)
I305	0.326 (13)	0.038 (2)	0.173 (6)	−0.005 (2)	−0.144 (8)	−0.016 (2)
I412	0.061 (3)	0.079 (2)	0.111 (3)	0.006 (2)	−0.028 (2)	−0.035 (2)
I302	0.103 (4)	0.058 (2)	0.253 (5)	0.012 (2)	−0.097 (3)	−0.067 (2)
I410	0.201 (11)	0.169 (10)	0.061 (6)	−0.084 (7)	0.020 (5)	0.000 (5)
I411	0.111 (3)	0.0262 (18)	0.121 (4)	−0.0027 (16)	−0.036 (2)	0.0083 (15)
I307	0.0944 (14)	0.0487 (12)	0.148 (2)	−0.0040 (8)	−0.0021 (12)	−0.0117 (10)
I306	0.129 (5)	0.230 (8)	0.076 (3)	−0.098 (5)	0.007 (2)	−0.025 (3)
I303	0.201 (3)	0.0593 (9)	0.0986 (13)	0.0568 (13)	0.0560 (15)	0.0424 (9)
I304	0.1220 (16)	0.0397 (7)	0.1719 (19)	−0.0199 (8)	0.0383 (14)	−0.0013 (9)
Zn45	0.040 (6)	0.053 (6)	0.116 (10)	−0.008 (5)	−0.031 (6)	0.033 (5)
Zn31	0.025 (3)	0.043 (2)	0.129 (3)	−0.014 (3)	−0.050 (3)	0.0057 (19)
Zn33	0.078 (6)	0.052 (3)	0.060 (3)	−0.037 (4)	−0.036 (4)	0.0128 (18)
Zn46	0.038 (4)	0.028 (3)	0.102 (4)	0.021 (3)	−0.039 (4)	−0.012 (2)
Zn34	0.085 (2)	0.038 (2)	0.096 (3)	0.0075 (14)	0.0134 (19)	0.0021 (17)
Zn32	0.122 (3)	0.0254 (11)	0.091 (2)	0.0090 (14)	0.029 (2)	0.0112 (11)
N304	0.080 (6)	0.024 (4)	0.075 (6)	−0.002 (4)	−0.028 (5)	0.010 (4)
N302	0.077 (6)	0.029 (4)	0.072 (6)	0.002 (4)	−0.022 (5)	0.011 (4)
N316	0.073 (5)	0.036 (4)	0.074 (6)	0.002 (4)	−0.016 (5)	0.016 (4)
N309	0.081 (6)	0.051 (5)	0.053 (5)	0.007 (4)	−0.009 (5)	0.006 (4)
N314	0.081 (6)	0.033 (4)	0.097 (7)	0.008 (4)	−0.019 (6)	0.018 (4)
N303	0.071 (5)	0.026 (4)	0.066 (5)	−0.005 (4)	−0.020 (4)	0.006 (3)
N320	0.088 (6)	0.036 (4)	0.068 (6)	0.001 (4)	−0.015 (5)	0.002 (4)
N311	0.067 (6)	0.046 (5)	0.085 (8)	0.001 (4)	−0.022 (6)	0.002 (5)
N321	0.093 (7)	0.042 (5)	0.062 (6)	0.004 (5)	0.001 (6)	−0.004 (4)
N305	0.146 (11)	0.033 (5)	0.085 (8)	0.008 (6)	0.028 (7)	0.011 (5)
N315	0.079 (6)	0.035 (4)	0.087 (7)	−0.005 (4)	−0.025 (5)	0.014 (4)
N301	0.082 (6)	0.038 (5)	0.100 (8)	−0.015 (4)	−0.045 (6)	0.016 (5)
N313	0.121 (9)	0.040 (5)	0.104 (9)	0.003 (6)	0.018 (8)	−0.002 (6)
N324	0.091 (7)	0.040 (5)	0.087 (8)	0.000 (5)	−0.031 (6)	0.004 (5)
N319	0.087 (7)	0.068 (7)	0.069 (7)	−0.001 (6)	0.007 (6)	0.005 (5)
N318	0.087 (7)	0.045 (5)	0.088 (7)	−0.006 (5)	−0.029 (6)	0.024 (5)
N307	0.096 (7)	0.059 (6)	0.071 (7)	0.009 (6)	−0.016 (6)	0.013 (5)
N306	0.113 (8)	0.043 (5)	0.066 (6)	−0.012 (5)	−0.034 (6)	0.017 (4)
N322	0.102 (8)	0.042 (5)	0.073 (7)	−0.003 (5)	−0.012 (6)	0.003 (5)
C362	0.087 (8)	0.042 (6)	0.048 (6)	−0.001 (5)	−0.008 (6)	0.005 (5)
N310	0.083 (7)	0.053 (6)	0.069 (7)	0.000 (5)	−0.020 (6)	0.006 (5)
C309	0.102 (8)	0.024 (5)	0.058 (6)	0.000 (5)	−0.001 (6)	0.005 (4)
C357	0.104 (9)	0.036 (5)	0.064 (7)	0.009 (6)	−0.007 (7)	−0.002 (5)
C344	0.081 (7)	0.037 (5)	0.083 (8)	−0.009 (5)	−0.023 (6)	0.022 (5)
C327	0.074 (7)	0.047 (6)	0.062 (7)	0.006 (5)	−0.026 (6)	0.013 (5)
C325	0.073 (7)	0.044 (6)	0.051 (6)	0.002 (5)	−0.009 (6)	0.001 (5)
N317	0.102 (8)	0.044 (5)	0.087 (7)	−0.006 (5)	−0.044 (6)	0.011 (5)
N308	0.116 (9)	0.046 (5)	0.065 (6)	0.021 (6)	0.002 (6)	0.009 (5)
C306	0.069 (6)	0.028 (5)	0.081 (7)	0.000 (4)	−0.018 (6)	0.014 (5)
N323	0.220 (18)	0.040 (6)	0.102 (10)	−0.022 (9)	0.071 (11)	0.005 (6)
C343	0.079 (7)	0.029 (5)	0.079 (8)	−0.003 (5)	−0.009 (6)	0.008 (5)
C328	0.087 (8)	0.052 (7)	0.063 (8)	0.008 (6)	−0.023 (7)	0.006 (5)
C308	0.083 (7)	0.032 (5)	0.071 (7)	−0.001 (5)	−0.017 (6)	0.007 (5)
C370	0.085 (8)	0.051 (7)	0.066 (8)	0.002 (6)	−0.016 (7)	0.007 (6)
C321	0.108 (10)	0.049 (6)	0.053 (7)	0.021 (6)	−0.011 (7)	0.010 (5)
C316	0.077 (7)	0.043 (6)	0.064 (7)	−0.002 (5)	−0.013 (6)	0.013 (5)
C360	0.090 (8)	0.038 (5)	0.053 (7)	0.001 (5)	−0.020 (6)	−0.005 (5)
C307	0.068 (6)	0.035 (5)	0.059 (6)	0.001 (4)	−0.021 (5)	0.005 (4)
C324	0.095 (8)	0.048 (6)	0.054 (7)	0.023 (6)	−0.012 (7)	0.002 (5)
C303	0.067 (6)	0.040 (5)	0.086 (8)	−0.008 (5)	−0.026 (6)	0.026 (5)
C369	0.129 (12)	0.046 (6)	0.056 (7)	−0.002 (7)	−0.025 (8)	0.010 (5)
N312	0.130 (10)	0.050 (6)	0.095 (9)	0.015 (6)	0.038 (8)	0.003 (6)
C352	0.078 (7)	0.042 (6)	0.079 (8)	−0.004 (5)	−0.026 (6)	0.016 (5)
C315	0.109 (9)	0.032 (5)	0.077 (8)	−0.003 (6)	−0.037 (7)	0.008 (5)
C349	0.079 (7)	0.047 (6)	0.079 (8)	0.007 (5)	−0.029 (6)	−0.006 (5)
C353	0.106 (10)	0.045 (6)	0.085 (9)	0.007 (6)	−0.024 (8)	0.010 (6)
C329	0.076 (7)	0.056 (7)	0.078 (8)	−0.002 (6)	−0.029 (6)	−0.008 (6)
C342	0.070 (7)	0.035 (5)	0.094 (9)	0.002 (5)	−0.015 (6)	0.014 (5)
C339	0.095 (8)	0.043 (6)	0.071 (8)	−0.001 (6)	−0.008 (7)	0.010 (5)
C317	0.098 (9)	0.046 (6)	0.103 (10)	0.009 (6)	−0.050 (8)	0.009 (6)
C368	0.098 (9)	0.042 (6)	0.081 (8)	0.000 (6)	−0.007 (7)	−0.008 (6)
C334	0.111 (11)	0.063 (8)	0.087 (10)	0.014 (8)	0.017 (9)	0.009 (7)
C345	0.081 (7)	0.041 (6)	0.080 (8)	−0.002 (5)	−0.030 (6)	0.021 (5)
C326	0.119 (11)	0.046 (6)	0.073 (8)	0.023 (7)	−0.014 (8)	0.007 (6)
C358	0.108 (10)	0.068 (8)	0.059 (8)	0.024 (7)	−0.001 (7)	0.017 (6)
C359	0.103 (10)	0.063 (8)	0.081 (9)	0.021 (7)	0.010 (8)	0.015 (7)
C354	0.103 (9)	0.033 (5)	0.092 (9)	0.007 (6)	−0.039 (8)	0.004 (5)
C302	0.120 (11)	0.033 (6)	0.121 (11)	−0.007 (6)	−0.074 (10)	−0.005 (6)
C310	0.107 (10)	0.043 (6)	0.078 (8)	−0.006 (6)	−0.021 (7)	0.005 (5)
C361	0.123 (11)	0.049 (7)	0.070 (8)	0.002 (7)	0.003 (8)	−0.013 (6)
C318	0.124 (11)	0.037 (6)	0.116 (11)	0.005 (6)	−0.075 (10)	0.001 (6)
C350	0.117 (11)	0.047 (7)	0.119 (11)	0.002 (7)	−0.070 (10)	0.020 (7)
C331	0.099 (10)	0.060 (8)	0.111 (11)	0.019 (7)	0.017 (9)	0.035 (8)
C311	0.137 (13)	0.045 (7)	0.104 (11)	−0.022 (8)	−0.005 (10)	−0.015 (7)
C304	0.075 (7)	0.044 (6)	0.098 (9)	−0.001 (5)	−0.029 (7)	0.000 (6)
C305	0.069 (7)	0.044 (6)	0.122 (11)	0.004 (5)	−0.038 (7)	0.016 (6)
C313	0.142 (13)	0.036 (6)	0.086 (9)	0.016 (7)	−0.007 (9)	0.003 (6)
C337	0.156 (16)	0.056 (8)	0.112 (12)	−0.006 (9)	0.012 (11)	0.005 (8)
C340	0.116 (11)	0.047 (7)	0.099 (10)	0.018 (7)	−0.008 (9)	0.013 (7)
C314	0.116 (10)	0.043 (6)	0.079 (8)	0.002 (6)	−0.038 (8)	0.007 (5)
C312	0.175 (16)	0.043 (7)	0.069 (8)	0.018 (8)	0.016 (9)	0.002 (6)
C301	0.119 (11)	0.038 (6)	0.131 (12)	−0.004 (6)	−0.089 (10)	0.006 (7)
C341	0.129 (12)	0.044 (7)	0.109 (12)	0.026 (8)	0.028 (10)	0.027 (7)
C351	0.097 (9)	0.033 (5)	0.132 (12)	0.004 (6)	−0.060 (9)	0.026 (6)
C320	0.114 (11)	0.066 (9)	0.092 (11)	0.005 (8)	0.004 (9)	0.042 (8)
C363	0.113 (11)	0.049 (7)	0.103 (11)	0.002 (7)	0.019 (9)	−0.005 (7)
C338	0.123 (12)	0.040 (6)	0.116 (12)	−0.009 (7)	−0.023 (10)	0.006 (7)
C346	0.159 (15)	0.030 (6)	0.165 (16)	−0.002 (7)	−0.103 (13)	−0.009 (7)
C356	0.115 (12)	0.097 (12)	0.119 (13)	0.033 (10)	0.035 (11)	0.033 (10)
C348	0.094 (8)	0.038 (6)	0.099 (9)	0.011 (6)	−0.046 (8)	0.001 (6)
C347	0.132 (13)	0.066 (9)	0.133 (13)	0.002 (9)	−0.087 (12)	−0.005 (8)
C364	0.20 (2)	0.101 (14)	0.114 (15)	0.033 (14)	0.086 (16)	0.024 (11)
C330	0.123 (12)	0.052 (8)	0.106 (12)	0.019 (8)	−0.018 (10)	0.033 (8)
C319	0.107 (11)	0.077 (9)	0.102 (11)	0.008 (8)	0.003 (9)	0.034 (8)
C371	0.136 (14)	0.079 (10)	0.124 (14)	0.013 (10)	0.028 (11)	0.050 (10)
C335	0.131 (13)	0.090 (11)	0.103 (12)	0.036 (10)	0.036 (11)	0.053 (10)
C365	0.147 (17)	0.065 (10)	0.151 (19)	0.020 (10)	0.034 (15)	0.001 (11)
C355	0.122 (14)	0.085 (12)	0.144 (17)	0.039 (10)	−0.002 (13)	0.048 (12)
C372	0.167 (19)	0.067 (10)	0.124 (16)	0.032 (11)	−0.018 (14)	0.031 (10)
C367	0.24 (3)	0.099 (14)	0.099 (14)	0.017 (15)	0.082 (17)	0.030 (11)
C333	0.126 (14)	0.128 (15)	0.111 (13)	0.067 (12)	0.001 (11)	0.049 (12)
C336	0.133 (14)	0.110 (14)	0.102 (13)	0.025 (12)	0.052 (12)	0.046 (11)
C366	0.24 (3)	0.076 (12)	0.138 (19)	0.026 (15)	0.089 (19)	0.025 (12)
C332	0.167 (18)	0.099 (13)	0.118 (15)	0.066 (13)	0.064 (14)	0.021 (11)
C322	0.117 (14)	0.100 (14)	0.098 (13)	0.043 (10)	0.004 (9)	0.053 (10)
C323	0.117 (14)	0.100 (14)	0.098 (13)	0.043 (10)	0.004 (9)	0.053 (10)
I312	0.096 (4)	0.116 (3)	0.160 (3)	0.029 (3)	−0.062 (3)	−0.071 (2)
Zn36	0.060 (4)	0.037 (2)	0.133 (4)	0.021 (3)	−0.047 (4)	−0.010 (2)
I311	0.132 (2)	0.051 (3)	0.251 (8)	0.001 (2)	−0.030 (4)	0.033 (4)
I405	0.150 (6)	0.039 (2)	0.092 (3)	−0.0066 (15)	−0.047 (3)	0.0015 (15)
Zn43	0.086 (7)	0.068 (3)	0.077 (4)	−0.049 (5)	−0.037 (5)	0.023 (2)
I406	0.136 (6)	0.166 (5)	0.106 (4)	−0.058 (4)	0.012 (3)	0.026 (4)
I404	0.111 (3)	0.066 (2)	0.195 (5)	−0.019 (2)	0.029 (3)	−0.039 (3)
Zn42	0.108 (5)	0.044 (3)	0.113 (6)	−0.001 (3)	0.032 (5)	0.002 (3)
I403	0.181 (5)	0.063 (2)	0.139 (4)	0.041 (3)	0.078 (4)	0.041 (2)
I408	0.351 (16)	0.075 (3)	0.170 (8)	0.098 (7)	0.170 (10)	0.069 (4)
Zn44	0.251 (18)	0.029 (3)	0.157 (13)	0.015 (8)	0.114 (12)	0.009 (6)
I407	0.279 (13)	0.078 (4)	0.281 (12)	−0.076 (7)	0.154 (11)	−0.038 (6)
I309	0.115 (2)	0.0513 (12)	0.1180 (16)	−0.0061 (13)	−0.022 (2)	−0.0071 (10)
Zn35	0.069 (4)	0.0523 (18)	0.0647 (19)	−0.009 (2)	−0.017 (2)	0.0112 (12)
I310	0.1074 (18)	0.136 (2)	0.076 (2)	−0.0427 (13)	0.0091 (12)	−0.0052 (17)
Zn41	0.025 (3)	0.0399 (18)	0.122 (3)	−0.018 (2)	−0.049 (3)	0.0162 (16)
I402	0.090 (3)	0.0520 (13)	0.162 (3)	−0.0080 (16)	−0.050 (3)	−0.0397 (16)
I401	0.0639 (19)	0.117 (3)	0.216 (4)	−0.0055 (15)	−0.0352 (19)	0.117 (3)
C7A	0.088 (10)	0.039 (7)	0.088 (13)	0.003 (7)	0.024 (9)	0.009 (7)
C1A	0.050 (11)	0.053 (10)	0.126 (14)	0.005 (9)	−0.016 (11)	0.006 (8)
C2A	0.043 (10)	0.051 (8)	0.106 (13)	0.009 (8)	−0.018 (10)	−0.006 (8)
C3A	0.040 (9)	0.043 (8)	0.088 (10)	0.014 (8)	−0.008 (9)	0.005 (7)
C4A	0.054 (10)	0.044 (7)	0.094 (10)	0.005 (7)	0.009 (9)	0.007 (6)
C5A	0.049 (10)	0.056 (8)	0.101 (10)	−0.001 (9)	−0.001 (9)	0.021 (7)
C6A	0.048 (11)	0.058 (9)	0.126 (13)	−0.005 (9)	−0.007 (12)	0.015 (9)
O2A	0.075 (9)	0.063 (9)	0.103 (13)	−0.005 (7)	0.020 (8)	−0.001 (9)
C8A	0.091 (11)	0.038 (8)	0.104 (14)	−0.010 (7)	0.026 (9)	0.002 (8)
C9A	0.130 (16)	0.045 (8)	0.097 (17)	−0.016 (9)	0.032 (13)	−0.004 (10)
C11A	0.152 (18)	0.051 (9)	0.095 (17)	0.029 (10)	0.037 (14)	0.017 (10)
O1A	0.064 (9)	0.076 (12)	0.092 (12)	0.015 (8)	−0.006 (8)	0.040 (9)
C10A	0.158 (19)	0.043 (11)	0.107 (18)	0.009 (10)	0.051 (13)	0.008 (11)
C14A	0.082 (16)	0.09 (2)	0.20 (3)	−0.008 (15)	−0.007 (17)	−0.04 (2)
C422	0.117 (14)	0.100 (14)	0.098 (13)	0.043 (10)	0.004 (9)	0.053 (10)
C423	0.117 (14)	0.100 (14)	0.098 (13)	0.043 (10)	0.004 (9)	0.053 (10)
O3A	0.122 (12)	0.070 (10)	0.073 (11)	0.045 (9)	0.016 (9)	0.008 (8)
C12A	0.120 (12)	0.052 (9)	0.067 (12)	0.027 (8)	0.034 (9)	0.014 (8)
C15A	0.136 (18)	0.10 (2)	0.10 (2)	0.070 (18)	0.026 (17)	0.031 (19)
C13A	0.086 (15)	0.071 (13)	0.101 (12)	0.008 (12)	0.014 (12)	0.028 (9)

Geometric parameters (Å, º)

I409—Zn45	2.56 (3)	C329—H329	0.9500
I301—Zn31	2.456 (14)	C342—C339	1.471 (16)
I308—Zn34	2.539 (7)	C339—C340	1.377 (17)
I305—Zn33	2.37 (2)	C339—C338	1.362 (18)
I412—Zn46	2.463 (17)	C317—H317	0.9500
I302—Zn31	2.583 (16)	C317—C318	1.349 (17)
I410—Zn45	2.40 (3)	C368—H368	0.9500
I411—Zn46	2.564 (17)	C334—C326	1.47 (2)
I307—Zn34	2.526 (5)	C334—C335	1.39 (2)
I306—Zn33	2.556 (19)	C334—C333	1.40 (2)
I303—Zn32	2.520 (4)	C345—C346	1.380 (16)
I304—Zn32	2.526 (5)	C358—H358	0.9500
Zn45—N319	2.08 (3)	C358—C359	1.386 (19)
Zn45—N318	2.19 (2)	C359—H359	0.9500
Zn31—N311^i	2.261 (12)	C354—H354	0.9500
Zn31—N301	1.997 (12)	C302—H302	0.9500
Zn33—N307	2.004 (18)	C302—C301	1.355 (16)
Zn33—N306	1.971 (16)	C310—H310	0.9500
Zn46—N324	2.255 (16)	C310—C311	1.371 (18)
Zn46—N317^ii	2.039 (14)	C361—C363	1.46 (2)
Zn34—N313	2.064 (13)	C318—H318	0.9500
Zn34—N312	2.078 (16)	C350—H350	0.9500
Zn32—N305	2.110 (10)	C350—C351	1.337 (17)
Zn32—N323^iii	1.964 (16)	C331—H331	0.9500
N304—C308	1.335 (13)	C331—C330	1.43 (2)
N304—C307	1.324 (12)	C311—H311	0.9500
N302—C306	1.307 (13)	C304—H304	0.9500
N302—C308	1.361 (13)	C304—C305	1.403 (15)
N316—C344	1.351 (13)	C305—H305	0.9500
N316—C343	1.308 (14)	C313—H313	0.9500
N309—C325	1.329 (15)	C313—C312	1.371 (18)
N309—C324	1.341 (15)	C337—H337	0.9500
N314—C344	1.347 (15)	C337—C338	1.37 (2)
N314—C342	1.344 (15)	C340—H340	0.9500
N303—C306	1.344 (13)	C340—C341	1.419 (19)
N303—C307	1.332 (12)	C314—H314	0.9500
N320—C362	1.353 (15)	C312—H312	0.9500
N320—C360	1.351 (15)	C301—H301	0.9500
N311—C329	1.299 (17)	C341—H341	0.9500
N311—C330	1.31 (2)	C351—H351	0.9500
N311—Zn41^iv	1.921 (12)	C320—H320	0.9500
N321—C360	1.289 (17)	C320—C319	1.40 (2)
N321—C361	1.339 (17)	C363—C364	1.40 (3)
N305—C311	1.345 (19)	C363—C367	1.36 (2)
N305—C312	1.296 (19)	C338—H338	0.9500
N305—Zn42	2.126 (13)	C346—H346	0.9500
N315—C343	1.350 (14)	C346—C347	1.374 (18)
N315—C342	1.323 (13)	C356—H356	0.9500
N301—C305	1.342 (15)	C356—C355	1.43 (2)
N301—C301	1.335 (17)	C348—H348	0.9500
N301—Zn41	2.206 (11)	C347—H347	0.9500
N313—C337	1.36 (2)	C364—H364	0.9500
N313—C341	1.31 (2)	C364—C365	1.43 (3)
N313—Zn44	2.104 (16)	C330—H330	0.9500
N324—C368	1.294 (18)	C319—H319	0.9500
N324—C372	1.31 (3)	C371—H371	0.9500
N324—Zn36	1.897 (15)	C371—C372	1.42 (3)
N319—C359	1.304 (17)	C335—H335	0.9500
N319—C355	1.27 (2)	C335—C336	1.34 (2)
N319—Zn35	2.025 (13)	C365—H365	0.9500
N318—C354	1.360 (14)	C355—H355	0.9500
N318—C350	1.323 (17)	C372—H372	0.9500
N318—Zn35	2.018 (12)	C367—H367	0.9500
N307—C319	1.300 (18)	C367—C366	1.32 (3)
N307—C323	1.37 (3)	C333—H333	0.9500
N307—Zn43	2.10 (2)	C333—C332	1.40 (3)
N307—C423	1.37 (3)	C336—H336	0.9500
N306—C318	1.325 (16)	C366—H366	0.9500
N306—C314	1.331 (15)	C332—H332	0.9500
N306—Zn43	2.219 (19)	C322—H322	0.9500
N322—C362	1.300 (17)	C322—C323	1.39 (3)
N322—C361	1.364 (17)	C323—H323	0.9500
C362—C370	1.464 (17)	I312—Zn36	2.541 (14)
N310—C325	1.329 (17)	Zn36—I311	2.528 (15)
N310—C326	1.350 (16)	I405—Zn43	2.69 (3)
C309—C307	1.482 (13)	Zn43—I406	2.52 (2)
C309—C310	1.375 (16)	I404—Zn42	2.539 (10)
C309—C313	1.382 (16)	Zn42—I403	2.524 (10)
C357—C360	1.521 (18)	I408—Zn44	2.522 (16)
C357—C358	1.33 (2)	Zn44—I407	2.521 (19)
C357—C356	1.35 (2)	I309—Zn35	2.515 (9)
C344—C352	1.478 (15)	Zn35—I310	2.584 (9)
C327—C325	1.458 (16)	Zn41—I402	2.491 (13)
C327—C328	1.361 (19)	Zn41—I401	2.524 (12)
C327—C331	1.384 (18)	C7A—C4A	1.501 (15)
N317—C348	1.332 (14)	C7A—C8A	1.400 (15)
N317—C347	1.315 (19)	C7A—C12A	1.391 (15)
N317—Zn36^v	2.132 (13)	C1A—H1A	0.9500
N308—C324	1.296 (18)	C1A—C2A	1.3900
N308—C326	1.362 (17)	C1A—C6A	1.3900
C306—C303	1.488 (13)	C2A—H2A	0.9500
N323—C365	1.26 (2)	C2A—C3A	1.3900
N323—C366	1.31 (3)	C3A—H3A	0.9500
N323—Zn42^vi	2.31 (2)	C3A—C4A	1.3900
C343—C345	1.492 (14)	C4A—C5A	1.3900
C328—H328	0.9500	C5A—C6A	1.3900
C328—C329	1.389 (17)	C5A—C13A	1.523 (18)
C308—C316	1.476 (15)	C6A—H6A	0.9500
C370—C369	1.39 (2)	O2A—C8A	1.371 (16)
C370—C371	1.36 (2)	O2A—C14A	1.432 (14)
C321—C324	1.475 (18)	C8A—C9A	1.388 (15)
C321—C320	1.34 (2)	C9A—H9A	0.9500
C321—C322	1.43 (2)	C9A—C10A	1.384 (16)
C321—C422	1.42 (3)	C11A—H11A	0.9500
C316—C315	1.366 (16)	C11A—C10A	1.386 (16)
C316—C317	1.397 (15)	C11A—C12A	1.391 (16)
C303—C302	1.381 (15)	O1A—H1AA	0.8400
C303—C304	1.383 (17)	O1A—C13A	1.421 (14)
C369—H369	0.9500	C10A—H10A	0.9500
C369—C368	1.376 (18)	C14A—H14A	0.9800
N312—C336	1.32 (2)	C14A—H14B	0.9800
N312—C332	1.27 (2)	C14A—H14C	0.9800
N312—Zn44	1.99 (2)	C422—H422	0.9500
C352—C353	1.372 (17)	C422—C423	1.39 (3)
C352—C351	1.406 (14)	C423—H423	0.9500
C315—H315	0.9500	O3A—C12A	1.379 (17)
C315—C314	1.381 (16)	O3A—C15A	1.437 (14)
C349—H349	0.9500	C15A—H15A	0.9800
C349—C345	1.373 (16)	C15A—H15B	0.9800
C349—C348	1.404 (14)	C15A—H15C	0.9800
C353—H353	0.9500	C13A—H13A	0.9900
C353—C354	1.351 (17)	C13A—H13B	0.9900
I410—Zn45—I409	126.2 (11)	C309—C310—H310	120.3
N319—Zn45—I409	103.8 (11)	C311—C310—C309	119.5 (12)
N319—Zn45—I410	119.7 (10)	C311—C310—H310	120.3
N319—Zn45—N318	96.7 (10)	N321—C361—N322	123.2 (15)
N318—Zn45—I409	97.9 (7)	N321—C361—C363	119.3 (13)
N318—Zn45—I410	106.2 (11)	N322—C361—C363	117.5 (13)
I301—Zn31—I302	127.8 (5)	N306—C318—C317	124.3 (11)
N311^i—Zn31—I301	109.1 (6)	N306—C318—H318	117.8
N311^i—Zn31—I302	103.4 (5)	C317—C318—H318	117.8
N301—Zn31—I301	109.2 (6)	N318—C350—H350	117.0
N301—Zn31—I302	106.5 (7)	N318—C350—C351	126.1 (11)
N301—Zn31—N311^i	96.1 (5)	C351—C350—H350	117.0
I305—Zn33—I306	118.9 (8)	C327—C331—H331	122.0
N307—Zn33—I305	109.5 (8)	C327—C331—C330	116.0 (16)
N307—Zn33—I306	103.2 (7)	C330—C331—H331	122.0
N306—Zn33—I305	114.0 (8)	N305—C311—C310	121.7 (13)
N306—Zn33—I306	101.9 (8)	N305—C311—H311	119.2
N306—Zn33—N307	108.3 (8)	C310—C311—H311	119.2
I412—Zn46—I411	127.6 (5)	C303—C304—H304	120.6
N324—Zn46—I412	109.8 (7)	C303—C304—C305	118.8 (11)
N324—Zn46—I411	100.9 (6)	C305—C304—H304	120.6
N317^ii—Zn46—I412	108.9 (7)	N301—C305—C304	120.1 (11)
N317^ii—Zn46—I411	110.8 (8)	N301—C305—H305	120.0
N317^ii—Zn46—N324	93.0 (6)	C304—C305—H305	120.0
I307—Zn34—I308	122.0 (3)	C309—C313—H313	120.6
N313—Zn34—I308	109.0 (5)	C312—C313—C309	118.8 (13)
N313—Zn34—I307	108.8 (4)	C312—C313—H313	120.6
N313—Zn34—N312	100.3 (6)	N313—C337—H337	119.4
N312—Zn34—I308	103.9 (4)	N313—C337—C338	121.1 (16)
N312—Zn34—I307	110.7 (5)	C338—C337—H337	119.4
I303—Zn32—I304	120.99 (14)	C339—C340—H340	120.5
N305—Zn32—I303	111.3 (4)	C339—C340—C341	119.0 (14)
N305—Zn32—I304	104.8 (4)	C341—C340—H340	120.5
N323^iii—Zn32—I303	111.6 (6)	N306—C314—C315	121.5 (12)
N323^iii—Zn32—I304	103.8 (6)	N306—C314—H314	119.3
N323^iii—Zn32—N305	102.6 (5)	C315—C314—H314	119.3
C307—N304—C308	117.0 (8)	N305—C312—C313	123.2 (13)
C306—N302—C308	115.1 (9)	N305—C312—H312	118.4
C343—N316—C344	114.8 (10)	C313—C312—H312	118.4
C325—N309—C324	115.5 (12)	N301—C301—C302	121.0 (11)
C342—N314—C344	115.4 (8)	N301—C301—H301	119.5
C307—N303—C306	115.2 (8)	C302—C301—H301	119.5
C360—N320—C362	113.2 (12)	N313—C341—C340	122.7 (12)
C329—N311—Zn31^iv	121.8 (12)	N313—C341—H341	118.7
C329—N311—C330	118.2 (12)	C340—C341—H341	118.7
C329—N311—Zn41^iv	126.9 (12)	C352—C351—H351	121.2
C330—N311—Zn31^iv	119.5 (9)	C350—C351—C352	117.6 (11)
C330—N311—Zn41^iv	114.9 (10)	C350—C351—H351	121.2
C360—N321—C361	116.5 (12)	C321—C320—H320	119.3
C311—N305—Zn32	124.1 (10)	C321—C320—C319	121.4 (15)
C311—N305—Zn42	101.6 (9)	C319—C320—H320	119.3
C312—N305—Zn32	117.3 (9)	C364—C363—C361	119.2 (15)
C312—N305—C311	118.6 (11)	C367—C363—C361	126.0 (17)
C312—N305—Zn42	138.9 (9)	C367—C363—C364	114.5 (19)
C342—N315—C343	114.4 (9)	C339—C338—C337	122.1 (14)
C305—N301—Zn31	116.0 (8)	C339—C338—H338	119.0
C305—N301—Zn41	120.4 (8)	C337—C338—H338	119.0
C301—N301—Zn31	121.3 (8)	C345—C346—H346	120.9
C301—N301—C305	120.9 (9)	C347—C346—C345	118.2 (12)
C301—N301—Zn41	118.6 (7)	C347—C346—H346	120.9
C337—N313—Zn34	114.6 (11)	C357—C356—H356	121.9
C337—N313—Zn44	130.0 (13)	C357—C356—C355	116.3 (18)
C341—N313—Zn34	127.5 (9)	C355—C356—H356	121.9
C341—N313—C337	117.8 (12)	N317—C348—C349	120.0 (11)
C341—N313—Zn44	111.9 (11)	N317—C348—H348	120.0
C368—N324—Zn46	122.0 (13)	C349—C348—H348	120.0
C368—N324—C372	116.7 (13)	N317—C347—C346	124.5 (12)
C368—N324—Zn36	129.9 (14)	N317—C347—H347	117.8
C372—N324—Zn46	120.5 (11)	C346—C347—H347	117.8
C372—N324—Zn36	113.0 (11)	C363—C364—H364	122.8
C359—N319—Zn45	114.5 (13)	C363—C364—C365	114.3 (18)
C359—N319—Zn35	126.7 (12)	C365—C364—H364	122.8
C355—N319—Zn45	129.6 (13)	N311—C330—C331	124.4 (14)
C355—N319—C359	115.6 (13)	N311—C330—H330	117.8
C355—N319—Zn35	117.7 (11)	C331—C330—H330	117.8
C354—N318—Zn45	127.0 (10)	N307—C319—C320	121.5 (18)
C354—N318—Zn35	119.7 (8)	N307—C319—H319	119.3
C350—N318—Zn45	115.8 (10)	C320—C319—H319	119.3
C350—N318—C354	116.1 (10)	C370—C371—H371	121.0
C350—N318—Zn35	124.2 (8)	C370—C371—C372	118 (2)
C319—N307—Zn33	127.1 (13)	C372—C371—H371	121.0
C319—N307—C323	117.7 (14)	C334—C335—H335	119.0
C319—N307—Zn43	116.8 (13)	C336—C335—C334	122.1 (15)
C319—N307—C423	108.8 (18)	C336—C335—H335	119.0
C323—N307—Zn33	112.3 (11)	N323—C365—C364	129 (2)
C423—N307—Zn43	123.0 (14)	N323—C365—H365	115.4
C318—N306—Zn33	122.5 (9)	C364—C365—H365	115.4
C318—N306—C314	118.2 (10)	N319—C355—C356	125.0 (16)
C318—N306—Zn43	117.7 (10)	N319—C355—H355	117.5
C314—N306—Zn33	119.2 (10)	C356—C355—H355	117.5
C314—N306—Zn43	123.6 (9)	N324—C372—C371	124.4 (18)
C362—N322—C361	115.0 (12)	N324—C372—H372	117.8
N320—C362—C370	118.2 (13)	C371—C372—H372	117.8
N322—C362—N320	126.2 (11)	C363—C367—H367	118.4
N322—C362—C370	115.6 (11)	C366—C367—C363	123 (2)
C325—N310—C326	115.9 (12)	C366—C367—H367	118.4
C310—C309—C307	121.4 (9)	C334—C333—H333	121.3
C310—C309—C313	117.8 (10)	C334—C333—C332	117.4 (16)
C313—C309—C307	120.7 (10)	C332—C333—H333	121.3
C358—C357—C360	123.3 (11)	N312—C336—C335	121.8 (15)
C358—C357—C356	118.4 (14)	N312—C336—H336	119.1
C356—C357—C360	118.0 (15)	C335—C336—H336	119.1
N316—C344—C352	116.3 (10)	N323—C366—C367	125 (2)
N314—C344—N316	123.7 (10)	N323—C366—H366	117.4
N314—C344—C352	120.0 (9)	C367—C366—H366	117.4
C328—C327—C325	121.9 (11)	N312—C332—C333	125.2 (16)
C328—C327—C331	118.2 (12)	N312—C332—H332	117.4
C331—C327—C325	119.9 (14)	C333—C332—H332	117.4
N309—C325—C327	118.2 (13)	C321—C322—H322	121.4
N310—C325—N309	124.5 (11)	C323—C322—C321	117 (2)
N310—C325—C327	117.4 (11)	C323—C322—H322	121.4
C348—N317—Zn46^v	118.8 (8)	N307—C323—C322	122.1 (18)
C348—N317—Zn36^v	123.5 (8)	N307—C323—H323	118.9
C347—N317—Zn46^v	120.8 (9)	C322—C323—H323	118.9
C347—N317—C348	118.7 (10)	N324—Zn36—N317^ii	101.2 (6)
C347—N317—Zn36^v	117.8 (8)	N324—Zn36—I312	105.4 (8)
C324—N308—C326	116.1 (11)	N324—Zn36—I311	111.6 (7)
N302—C306—N303	125.6 (8)	N317^ii—Zn36—I312	101.6 (6)
N302—C306—C303	117.1 (9)	N317^ii—Zn36—I311	106.4 (7)
N303—C306—C303	117.2 (9)	I311—Zn36—I312	127.1 (4)
Zn32^vi—N323—Zn42^vi	22.2 (3)	N307—Zn43—N306	96.3 (8)
C365—N323—Zn32^vi	126.7 (17)	N307—Zn43—I405	103.2 (9)
C365—N323—C366	113.0 (19)	N307—Zn43—I406	111.6 (9)
C365—N323—Zn42^vi	107.9 (16)	N306—Zn43—I405	100.9 (8)
C366—N323—Zn32^vi	120.3 (14)	N306—Zn43—I406	107.1 (9)
C366—N323—Zn42^vi	137.2 (14)	I406—Zn43—I405	131.8 (7)
N316—C343—N315	126.4 (9)	N305—Zn42—N323^iii	91.6 (6)
N316—C343—C345	118.5 (10)	N305—Zn42—I404	119.1 (5)
N315—C343—C345	115.0 (9)	N305—Zn42—I403	102.2 (5)
C327—C328—H328	119.5	N323^iii—Zn42—I404	122.7 (6)
C327—C328—C329	121.0 (12)	N323^iii—Zn42—I403	92.8 (5)
C329—C328—H328	119.5	I403—Zn42—I404	121.8 (3)
N304—C308—N302	122.9 (9)	N313—Zn44—I408	115.2 (8)
N304—C308—C316	120.1 (9)	N313—Zn44—I407	100.6 (8)
N302—C308—C316	117.0 (9)	N312—Zn44—N313	101.8 (8)
C369—C370—C362	121.6 (12)	N312—Zn44—I408	116.8 (9)
C371—C370—C362	121.5 (16)	N312—Zn44—I407	98.1 (9)
C371—C370—C369	116.8 (14)	I407—Zn44—I408	120.9 (6)
C320—C321—C324	122.3 (12)	N319—Zn35—I309	109.3 (5)
C320—C321—C322	117.5 (14)	N319—Zn35—I310	102.3 (6)
C320—C321—C422	105 (2)	N318—Zn35—N319	104.5 (5)
C322—C321—C324	119.2 (17)	N318—Zn35—I309	109.9 (5)
C422—C321—C324	120.1 (17)	N318—Zn35—I310	105.1 (5)
C315—C316—C308	121.0 (10)	I309—Zn35—I310	124.0 (3)
C315—C316—C317	118.5 (10)	N311^i—Zn41—N301	100.2 (5)
C317—C316—C308	120.4 (11)	N311^i—Zn41—I402	111.7 (6)
N320—C360—C357	114.7 (13)	N311^i—Zn41—I401	109.3 (6)
N321—C360—N320	125.8 (11)	N301—Zn41—I402	109.0 (5)
N321—C360—C357	119.5 (11)	N301—Zn41—I401	101.3 (5)
N304—C307—N303	123.8 (9)	I402—Zn41—I401	122.6 (4)
N304—C307—C309	117.9 (8)	C8A—C7A—C4A	118.9 (13)
N303—C307—C309	118.2 (8)	C12A—C7A—C4A	120.6 (14)
N309—C324—C321	117.0 (13)	C12A—C7A—C8A	120.5 (12)
N308—C324—N309	125.3 (12)	C2A—C1A—H1A	120.0
N308—C324—C321	117.7 (11)	C2A—C1A—C6A	120.0
C302—C303—C306	120.8 (11)	C6A—C1A—H1A	120.0
C302—C303—C304	118.8 (10)	C1A—C2A—H2A	120.0
C304—C303—C306	120.4 (10)	C3A—C2A—C1A	120.0
C370—C369—H369	120.0	C3A—C2A—H2A	120.0
C368—C369—C370	120.1 (13)	C2A—C3A—H3A	120.0
C368—C369—H369	120.0	C2A—C3A—C4A	120.0
C336—N312—Zn34	124.6 (12)	C4A—C3A—H3A	120.0
C336—N312—Zn44	110.6 (13)	C3A—C4A—C7A	117.3 (15)
C332—N312—Zn34	117.1 (13)	C5A—C4A—C7A	122.7 (15)
C332—N312—C336	118.1 (16)	C5A—C4A—C3A	120.0
C332—N312—Zn44	131.1 (13)	C4A—C5A—C6A	120.0
C353—C352—C344	122.1 (10)	C4A—C5A—C13A	117.8 (13)
C353—C352—C351	117.4 (11)	C6A—C5A—C13A	122.2 (13)
C351—C352—C344	120.5 (11)	C1A—C6A—H6A	120.0
C316—C315—H315	120.2	C5A—C6A—C1A	120.0
C316—C315—C314	119.6 (11)	C5A—C6A—H6A	120.0
C314—C315—H315	120.2	C8A—O2A—C14A	120 (2)
C345—C349—H349	119.6	O2A—C8A—C7A	117.5 (14)
C345—C349—C348	120.8 (10)	O2A—C8A—C9A	123.1 (16)
C348—C349—H349	119.6	C9A—C8A—C7A	119.4 (13)
C352—C353—H353	119.6	C8A—C9A—H9A	119.8
C354—C353—C352	120.8 (11)	C10A—C9A—C8A	120.4 (15)
C354—C353—H353	119.6	C10A—C9A—H9A	119.8
N311—C329—C328	122.2 (15)	C10A—C11A—H11A	119.7
N311—C329—H329	118.9	C10A—C11A—C12A	120.6 (15)
C328—C329—H329	118.9	C12A—C11A—H11A	119.7
N314—C342—C339	117.7 (9)	C13A—O1A—H1AA	109.5
N315—C342—N314	124.8 (10)	C9A—C10A—C11A	119.8 (15)
N315—C342—C339	117.2 (10)	C9A—C10A—H10A	120.1
C340—C339—C342	123.4 (11)	C11A—C10A—H10A	120.1
C338—C339—C342	119.7 (10)	O2A—C14A—H14A	109.5
C338—C339—C340	116.9 (12)	O2A—C14A—H14B	109.5
C316—C317—H317	121.1	O2A—C14A—H14C	109.5
C318—C317—C316	117.8 (12)	H14A—C14A—H14B	109.5
C318—C317—H317	121.1	H14A—C14A—H14C	109.5
N324—C368—C369	124.0 (16)	H14B—C14A—H14C	109.5
N324—C368—H368	118.0	C321—C422—H422	121.0
C369—C368—H368	118.0	C423—C422—C321	118 (3)
C335—C334—C326	123.0 (14)	C423—C422—H422	121.0
C335—C334—C333	115.1 (17)	N307—C423—C422	121 (2)
C333—C334—C326	121.9 (15)	N307—C423—H423	119.3
C349—C345—C343	121.8 (10)	C422—C423—H423	119.3
C349—C345—C346	117.6 (10)	C12A—O3A—C15A	116 (2)
C346—C345—C343	120.6 (11)	C11A—C12A—C7A	119.0 (14)
N310—C326—N308	122.6 (16)	O3A—C12A—C7A	115.9 (15)
N310—C326—C334	119.9 (13)	O3A—C12A—C11A	124.9 (16)
N308—C326—C334	117.4 (12)	O3A—C15A—H15A	109.5
C357—C358—H358	120.3	O3A—C15A—H15B	109.5
C357—C358—C359	119.4 (13)	O3A—C15A—H15C	109.5
C359—C358—H358	120.3	H15A—C15A—H15B	109.5
N319—C359—C358	123.9 (16)	H15A—C15A—H15C	109.5
N319—C359—H359	118.1	H15B—C15A—H15C	109.5
C358—C359—H359	118.1	C5A—C13A—H13A	108.9
N318—C354—H354	119.0	C5A—C13A—H13B	108.9
C353—C354—N318	121.9 (11)	O1A—C13A—C5A	113.2 (19)
C353—C354—H354	119.0	O1A—C13A—H13A	108.9
C303—C302—H302	119.9	O1A—C13A—H13B	108.9
C301—C302—C303	120.3 (11)	H13A—C13A—H13B	107.8
C301—C302—H302	119.9
Zn45—N319—C359—C358	177.1 (13)	C334—C333—C332—N312	4 (4)
Zn45—N319—C355—C356	−177.3 (15)	C345—C349—C348—N317	2 (3)
Zn45—N318—C354—C353	−165.5 (16)	C345—C346—C347—N317	4 (4)
Zn45—N318—C350—C351	167.2 (19)	C326—N310—C325—N309	−2.4 (16)
Zn31^iv—N311—C329—C328	168.5 (9)	C326—N310—C325—C327	176.0 (10)
Zn31^iv—N311—C330—C331	−167.7 (12)	C326—N308—C324—N309	2.8 (19)
Zn31—N301—C305—C304	168.1 (13)	C326—N308—C324—C321	−174.2 (11)
Zn31—N301—C301—C302	−170.6 (15)	C326—C334—C335—C336	−177.0 (18)
Zn33—N307—C319—C320	174.5 (13)	C326—C334—C333—C332	178.1 (18)
Zn33—N307—C323—C322	−179 (3)	C358—C357—C360—N320	−0.7 (16)
Zn33—N306—C318—C317	−178.8 (16)	C358—C357—C360—N321	−179.9 (12)
Zn33—N306—C314—C315	179.5 (14)	C358—C357—C356—C355	−10 (2)
Zn46—N324—C368—C369	169.7 (10)	C359—N319—C355—C356	10 (3)
Zn46—N324—C372—C371	−169.3 (15)	C354—N318—C350—C351	−2 (3)
Zn46^v—N317—C348—C349	164.1 (13)	C302—C303—C304—C305	−1 (2)
Zn46^v—N317—C347—C346	−167 (2)	C310—C309—C307—N304	173.5 (14)
Zn34—N313—C337—C338	−175.7 (16)	C310—C309—C307—N303	−10 (2)
Zn34—N313—C341—C340	−179.2 (13)	C310—C309—C313—C312	5 (3)
Zn34—N312—C336—C335	−169.8 (16)	C361—N321—C360—N320	2.1 (16)
Zn34—N312—C332—C333	171.0 (19)	C361—N321—C360—C357	−178.8 (10)
Zn32—N305—C311—C310	179.0 (13)	C361—N322—C362—N320	−2.2 (17)
Zn32—N305—C312—C313	−173.8 (15)	C361—N322—C362—C370	177.1 (10)
Zn32^vi—N323—C365—C364	177.9 (18)	C361—C363—C364—C365	177.5 (16)
Zn32^vi—N323—C366—C367	180 (2)	C361—C363—C367—C366	−179 (2)
N304—C308—C316—C315	173.1 (14)	C318—N306—C314—C315	2 (2)
N304—C308—C316—C317	−5 (2)	C350—N318—C354—C353	2 (2)
N302—C306—C303—C302	179.4 (15)	C331—C327—C325—N309	−169.4 (12)
N302—C306—C303—C304	0 (2)	C331—C327—C325—N310	12.0 (16)
N302—C308—C316—C315	−4 (2)	C331—C327—C328—C329	2.7 (18)
N302—C308—C316—C317	177.8 (14)	C311—N305—C312—C313	5 (3)
N316—C344—C352—C353	−2 (2)	C304—C303—C302—C301	−2 (3)
N316—C344—C352—C351	178.4 (15)	C305—N301—C301—C302	−7 (3)
N316—C343—C345—C349	−2 (2)	C313—C309—C307—N304	−9 (2)
N316—C343—C345—C346	176.3 (17)	C313—C309—C307—N303	167.5 (14)
N314—C344—C352—C353	176.0 (15)	C313—C309—C310—C311	0 (2)
N314—C344—C352—C351	−4 (2)	C337—N313—C341—C340	1 (3)
N314—C342—C339—C340	−4 (2)	C340—C339—C338—C337	0 (3)
N314—C342—C339—C338	175.4 (15)	C314—N306—C318—C317	−1 (3)
N303—C306—C303—C302	3 (2)	C312—N305—C311—C310	1 (3)
N303—C306—C303—C304	−176.5 (13)	C301—N301—C305—C304	3 (2)
N320—C362—C370—C369	4.9 (16)	C341—N313—C337—C338	4 (3)
N320—C362—C370—C371	−171.0 (13)	C351—C352—C353—C354	−2 (3)
N321—C361—C363—C364	−22 (2)	C320—C321—C324—N309	17.5 (19)
N321—C361—C363—C367	164.6 (18)	C320—C321—C324—N308	−165.2 (14)
N315—C343—C345—C349	−179.9 (14)	C320—C321—C322—C323	7 (4)
N315—C343—C345—C346	−2 (2)	C320—C321—C422—C423	−42 (5)
N315—C342—C339—C340	171.2 (16)	C363—C364—C365—N323	7 (3)
N315—C342—C339—C338	−10 (2)	C363—C367—C366—N323	−2 (4)
N313—C337—C338—C339	−5 (3)	C338—C339—C340—C341	5 (3)
N318—C350—C351—C352	0 (3)	C356—C357—C360—N320	173.2 (13)
N322—C362—C370—C369	−174.4 (11)	C356—C357—C360—N321	−6.0 (18)
N322—C362—C370—C371	9.7 (18)	C356—C357—C358—C359	11 (2)
N322—C361—C363—C364	158.1 (16)	C348—N317—C347—C346	−2 (3)
N322—C361—C363—C367	−16 (2)	C348—C349—C345—C343	178.6 (14)
C362—N320—C360—N321	−4.7 (15)	C348—C349—C345—C346	0 (3)
C362—N320—C360—C357	176.2 (9)	C347—N317—C348—C349	−1 (3)
C362—N322—C361—N321	−1.0 (18)	C364—C363—C367—C366	7 (3)
C362—N322—C361—C363	179.3 (11)	C330—N311—C329—C328	−3.1 (18)
C362—C370—C369—C368	−176.6 (11)	C319—N307—C323—C322	−17 (4)
C362—C370—C371—C372	177.2 (15)	C319—N307—C423—C422	31 (5)
C309—C310—C311—N305	−3 (3)	C371—C370—C369—C368	−0.5 (19)
C309—C313—C312—N305	−8 (3)	C335—C334—C326—N310	−14 (2)
C357—C358—C359—N319	−1 (2)	C335—C334—C326—N308	162.6 (16)
C357—C356—C355—N319	−1 (3)	C335—C334—C333—C332	−5 (3)
C344—N316—C343—N315	−3 (2)	C365—N323—C366—C367	0 (4)
C344—N316—C343—C345	179.8 (12)	C355—N319—C359—C358	−9 (2)
C344—N314—C342—N315	1 (2)	C372—N324—C368—C369	0 (2)
C344—N314—C342—C339	175.2 (13)	C372—N324—Zn36—N317^ii	84.0 (14)
C344—C352—C353—C354	178.3 (15)	C372—N324—Zn36—I312	−170.5 (12)
C344—C352—C351—C350	−178.0 (16)	C372—N324—Zn36—I311	−28.9 (14)
C327—C328—C329—N311	−0.3 (18)	C367—C363—C364—C365	−8 (3)
C327—C331—C330—N311	−2 (2)	C333—C334—C326—N310	162.9 (16)
C325—N309—C324—N308	−3.2 (17)	C333—C334—C326—N308	−21 (2)
C325—N309—C324—C321	173.8 (10)	C333—C334—C335—C336	6 (3)
C325—N310—C326—N308	1.9 (18)	C336—N312—C332—C333	−4 (3)
C325—N310—C326—C334	178.3 (12)	C366—N323—C365—C364	−2 (3)
C325—C327—C328—C329	−176.8 (10)	C332—N312—C336—C335	5 (3)
C325—C327—C331—C330	177.8 (12)	C322—C321—C324—N309	−151.3 (18)
C306—N302—C308—N304	7 (2)	C322—C321—C324—N308	26 (2)
C306—N302—C308—C316	−176.1 (12)	C322—C321—C320—C319	−9 (3)
C306—N303—C307—N304	3.5 (19)	C323—N307—C319—C320	16 (3)
C306—N303—C307—C309	−173.0 (12)	Zn36—N324—C368—C369	171.7 (10)
C306—C303—C302—C301	177.9 (17)	Zn36—N324—C372—C371	−172.5 (16)
C306—C303—C304—C305	178.9 (14)	Zn36^v—N317—C348—C349	177.5 (13)
C343—N316—C344—N314	7 (2)	Zn36^v—N317—C347—C346	179 (2)
C343—N316—C344—C352	−174.8 (12)	Zn43—N307—C319—C320	−178.9 (14)
C343—N315—C342—N314	3 (2)	Zn43—N307—C423—C422	173 (4)
C343—N315—C342—C339	−171.0 (13)	Zn43—N306—C318—C317	171.5 (17)
C343—C345—C346—C347	178.7 (19)	Zn43—N306—C314—C315	−170.5 (14)
C328—C327—C325—N309	10.1 (16)	Zn42—N305—C311—C310	−171.0 (16)
C328—C327—C325—N310	−168.5 (10)	Zn42—N305—C312—C313	172.0 (14)
C328—C327—C331—C330	−2 (2)	Zn42^vi—N323—C365—C364	165 (2)
C308—N304—C307—N303	−1 (2)	Zn42^vi—N323—C366—C367	−161.7 (19)
C308—N304—C307—C309	175.4 (12)	Zn44—N313—C337—C338	177.8 (16)
C308—N302—C306—N303	−4 (2)	Zn44—N313—C341—C340	−173.7 (15)
C308—N302—C306—C303	179.8 (12)	Zn44—N312—C336—C335	180.0 (18)
C308—C316—C315—C314	−179.2 (14)	Zn44—N312—C332—C333	−178.1 (19)
C308—C316—C317—C318	179.8 (16)	Zn35—N319—C359—C358	171.8 (11)
C370—C369—C368—N324	0.0 (19)	Zn35—N319—C355—C356	−170.9 (16)
C370—C371—C372—N324	−1 (3)	Zn35—N318—C354—C353	−176.7 (13)
C321—C320—C319—N307	−3 (3)	Zn35—N318—C350—C351	177.0 (16)
C321—C322—C323—N307	5 (4)	Zn41^iv—N311—C329—C328	174.3 (9)
C321—C422—C423—N307	8 (7)	Zn41^iv—N311—C330—C331	−173.6 (13)
C316—C315—C314—N306	−1 (3)	Zn41—N301—C305—C304	178.4 (12)
C316—C317—C318—N306	0 (3)	Zn41—N301—C301—C302	178.1 (15)
C360—N320—C362—N322	4.7 (15)	C7A—C4A—C5A—C6A	−179.2 (15)
C360—N320—C362—C370	−174.5 (9)	C7A—C4A—C5A—C13A	0.1 (19)
C360—N321—C361—N322	1.0 (18)	C7A—C8A—C9A—C10A	1 (5)
C360—N321—C361—C363	−179.3 (11)	C1A—C2A—C3A—C4A	0.0
C360—C357—C358—C359	−175.3 (12)	C2A—C1A—C6A—C5A	0.0
C360—C357—C356—C355	176.0 (15)	C2A—C3A—C4A—C7A	179.2 (14)
C307—N304—C308—N302	−4 (2)	C2A—C3A—C4A—C5A	0.0
C307—N304—C308—C316	178.8 (12)	C3A—C4A—C5A—C6A	0.0
C307—N303—C306—N302	−1 (2)	C3A—C4A—C5A—C13A	179.3 (17)
C307—N303—C306—C303	175.3 (12)	C4A—C7A—C8A—O2A	−1 (4)
C307—C309—C310—C311	177.1 (15)	C4A—C7A—C8A—C9A	−179 (3)
C307—C309—C313—C312	−172.2 (15)	C4A—C7A—C12A—C11A	−178 (3)
C324—N309—C325—N310	3.0 (15)	C4A—C7A—C12A—O3A	−2 (4)
C324—N309—C325—C327	−175.5 (10)	C4A—C5A—C6A—C1A	0.0
C324—N308—C326—N310	−2.1 (19)	C4A—C5A—C13A—O1A	160.4 (15)
C324—N308—C326—C334	−178.5 (12)	C6A—C1A—C2A—C3A	0.0
C324—C321—C320—C319	−178.0 (14)	C6A—C5A—C13A—O1A	−20 (3)
C324—C321—C322—C323	177 (2)	O2A—C8A—C9A—C10A	−177 (3)
C324—C321—C422—C423	176 (3)	C8A—C7A—C4A—C3A	−109 (2)
C303—C302—C301—N301	6 (3)	C8A—C7A—C4A—C5A	70 (3)
C303—C304—C305—N301	0 (2)	C8A—C7A—C12A—C11A	4 (5)
C369—C370—C371—C372	1 (2)	C8A—C7A—C12A—O3A	−180 (3)
C352—C353—C354—N318	0 (3)	C8A—C9A—C10A—C11A	−3 (5)
C315—C316—C317—C318	1 (2)	C10A—C11A—C12A—C7A	−6 (5)
C349—C345—C346—C347	−3 (3)	C10A—C11A—C12A—O3A	178 (3)
C353—C352—C351—C350	2 (3)	C14A—O2A—C8A—C7A	179 (3)
C329—N311—C330—C331	4 (2)	C14A—O2A—C8A—C9A	−3 (5)
C342—N314—C344—N316	−7 (2)	C422—C321—C324—N309	154 (3)
C342—N314—C344—C352	175.7 (13)	C422—C321—C324—N308	−29 (3)
C342—N315—C343—N316	−3 (2)	C422—C321—C320—C319	40 (3)
C342—N315—C343—C345	175.2 (13)	C423—N307—C319—C320	−34 (3)
C342—C339—C340—C341	−175.5 (15)	C12A—C7A—C4A—C3A	73 (3)
C342—C339—C338—C337	−179.6 (18)	C12A—C7A—C4A—C5A	−108 (3)
C339—C340—C341—N313	−6 (3)	C12A—C7A—C8A—O2A	177 (3)
C317—C316—C315—C314	−1 (2)	C12A—C7A—C8A—C9A	−1 (5)
C368—N324—C372—C371	1 (3)	C12A—C11A—C10A—C9A	6 (5)
C368—N324—Zn36—N317^ii	−88.1 (13)	C15A—O3A—C12A—C7A	172 (3)
C368—N324—Zn36—I312	17.4 (12)	C15A—O3A—C12A—C11A	−11 (4)
C368—N324—Zn36—I311	159.0 (10)	C13A—C5A—C6A—C1A	−179.3 (18)
C334—C335—C336—N312	−6 (3)

Symmetry codes: (i) x+1/2, −y+2, z+1/2; (ii) x−1/2, −y+1, z−1/2; (iii) x, y+1, z+1; (iv) x−1/2, −y+2, z−1/2; (v) x+1/2, −y+1, z+1/2; (vi) x, y−1, z−1.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (25_1_48b)

Crystal data

C36H24I6N12Zn3	F(000) = 5856
Mr = 1582.18	Dx = 1.359 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.458 (2) Å	Cell parameters from 6447 reflections
b = 15.0078 (4) Å	θ = 3.0–65.4°
c = 30.486 (3) Å	µ = 20.09 mm^−1
β = 101.242 (7)°	T = 100 K
V = 15463.2 (18) Å^3	Block, colourless
Z = 8	0.18 × 0.15 × 0.05 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	14069 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	8590 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.055
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −41→41
Absorption correction: analytical CrysAlisPro 1.171.41.122a (Rigaku Oxford Diffraction, 2021) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −12→18
Tmin = 0.105, Tmax = 0.412	l = −36→32
51956 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.090	H-atom parameters constrained
wR(F^2) = 0.321	w = 1/[σ^2(Fo^2) + (0.1819P)^2 + 28.0903P] where P = (Fo^2 + 2Fc^2)/3
S = 1.12	(Δ/σ)max < 0.001
14069 reflections	Δρmax = 0.86 e Å^−3
575 parameters	Δρmin = −0.74 e Å^−3
37 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. No guests or solvent were identified from the electron density map, SQUEEZE has been applied to address the residual electron density within the pore. SQUEEZE analysis indicated one void with a volume of 900 Ang**3 and an electron count of 282. This is equivalent to 5.88 cyclohexane molecules or 2.17 BBA-8,12-OMe molecules.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I402	0.47640 (8)	1.1478 (2)	0.86550 (10)	0.0831 (6)	0.413
I401	0.38485 (10)	1.2383 (2)	0.94349 (12)	0.0914 (7)	0.413
I405	0.6086 (3)	0.7434 (4)	0.5990 (4)	0.198 (4)	0.324 (12)
I406	0.6472 (3)	0.5805 (5)	0.4928 (6)	0.226 (5)	0.324 (12)
I304	0.26601 (12)	0.26775 (12)	0.70552 (12)	0.1333 (11)	0.516 (6)
Zn41	0.41986 (11)	1.1216 (3)	0.90623 (15)	0.0673 (14)	0.413
I303	0.37079 (10)	0.33840 (15)	0.80597 (7)	0.1303 (12)	0.516 (6)
Zn43	0.6228 (4)	0.5973 (5)	0.5646 (6)	0.188 (8)	0.324 (12)
Zn32	0.32753 (16)	0.3582 (2)	0.73057 (15)	0.1023 (12)	0.516 (6)
N308	0.4607 (3)	0.3567 (5)	0.5844 (4)	0.097 (3)
N311	0.4362 (3)	−0.0170 (6)	0.4515 (4)	0.102 (3)
N309	0.4266 (3)	0.2224 (5)	0.5604 (4)	0.096 (3)
N302	0.3190 (2)	0.8185 (4)	0.7495 (4)	0.107 (3)
N310	0.4801 (2)	0.2719 (5)	0.5263 (3)	0.101 (3)
N303	0.2801 (3)	0.9459 (4)	0.7269 (4)	0.111 (3)
N304	0.2656 (3)	0.8089 (5)	0.6878 (4)	0.106 (3)
C326	0.4837 (4)	0.3407 (7)	0.5546 (5)	0.107 (4)
N305	0.1701 (3)	1.0306 (5)	0.6026 (4)	0.128 (4)
N301	0.3806 (3)	1.0481 (5)	0.8582 (4)	0.122 (4)
C334	0.5164 (3)	0.4027 (5)	0.5511 (5)	0.097 (4)
C325	0.4504 (3)	0.2148 (6)	0.5314 (4)	0.092 (3)
C327	0.4469 (4)	0.1298 (6)	0.5058 (4)	0.101 (4)
N306	0.3097 (5)	0.4954 (6)	0.7187 (6)	0.149 (5)
C303	0.3353 (3)	0.9551 (6)	0.7885 (4)	0.097 (3)
C331	0.4731 (3)	0.1108 (6)	0.4759 (5)	0.099 (4)
H331	0.494289	0.150143	0.473822	0.119*
C309	0.2290 (3)	0.9419 (7)	0.6604 (5)	0.116 (4)
C324	0.4325 (3)	0.2956 (6)	0.5877 (4)	0.102 (4)
C306	0.3095 (3)	0.9051 (5)	0.7527 (4)	0.097 (3)
C307	0.2601 (3)	0.8967 (5)	0.6920 (4)	0.104 (4)
C330	0.4672 (4)	0.0340 (8)	0.4499 (4)	0.109 (4)
H330	0.485253	0.018454	0.431194	0.131*
N00W	0.3545 (8)	0.342 (2)	0.6794 (12)	0.141 (3)	0.48 (3)
C308	0.2947 (3)	0.7757 (6)	0.7183 (4)	0.105 (4)
C316	0.3014 (3)	0.6756 (5)	0.7171 (4)	0.105 (4)
C336	0.5670 (3)	0.4610 (8)	0.5176 (6)	0.116 (4)
H336	0.579841	0.462944	0.492764	0.140*
C302	0.3282 (4)	1.0436 (6)	0.7952 (5)	0.120 (3)
H302	0.308063	1.073999	0.774979	0.144*
C335	0.5355 (4)	0.4017 (8)	0.5157 (5)	0.115 (4)
H335	0.527756	0.362576	0.491070	0.138*
C313	0.2057 (4)	0.8992 (7)	0.6246 (6)	0.155 (7)
H313	0.208957	0.837226	0.620200	0.186*
C310	0.2209 (4)	1.0324 (6)	0.6664 (5)	0.131 (6)
H310	0.235254	1.065305	0.690875	0.157*
C301	0.3503 (4)	1.0886 (6)	0.8312 (4)	0.120 (3)
H301	0.343955	1.148573	0.836838	0.144*
C311	0.1925 (4)	1.0700 (7)	0.6366 (6)	0.136 (6)
H311	0.187956	1.131764	0.640346	0.163*
C312	0.1780 (4)	0.9462 (8)	0.5955 (5)	0.139 (6)
H312	0.163944	0.917342	0.569424	0.167*
C329	0.4144 (5)	−0.0023 (10)	0.4795 (7)	0.142 (6)
H329	0.394994	−0.045773	0.482392	0.170*
C328	0.4168 (5)	0.0738 (10)	0.5068 (7)	0.141 (6)
H328	0.397893	0.085104	0.525017	0.170*
C323	0.3928 (8)	0.3754 (19)	0.6858 (10)	0.141 (3)	0.48 (3)
H323	0.405628	0.394636	0.714690	0.170*	0.48 (3)
C304	0.3604 (13)	0.9124 (11)	0.8231 (12)	0.120 (3)	0.55 (7)
H304	0.362161	0.849236	0.822708	0.144*	0.55 (7)
C315	0.3336 (4)	0.6357 (8)	0.7454 (7)	0.154 (7)
H315	0.353617	0.669529	0.764064	0.184*
C317	0.2747 (4)	0.6225 (6)	0.6874 (6)	0.138 (6)
H317	0.253432	0.648212	0.666756	0.166*
C314	0.3342 (7)	0.5455 (8)	0.7444 (6)	0.174 (9)
H314	0.354834	0.516670	0.764679	0.209*
C305	0.3821 (12)	0.9570 (9)	0.8568 (11)	0.120 (3)	0.55 (7)
H305	0.398864	0.925495	0.880175	0.144*	0.55 (7)
C318	0.2806 (5)	0.5317 (8)	0.6896 (7)	0.148 (6)
H318	0.263230	0.494261	0.669618	0.178*
C420	0.3683 (6)	0.2773 (19)	0.6104 (12)	0.141 (3)	0.48 (3)
H420	0.359123	0.240250	0.585188	0.170*	0.48 (3)
C419	0.3434 (8)	0.297 (2)	0.6396 (11)	0.141 (3)	0.48 (3)
H419	0.316676	0.277578	0.631663	0.170*	0.48 (3)
C333	0.5286 (7)	0.4568 (14)	0.5899 (7)	0.146 (6)	0.761
H333	0.514930	0.461113	0.614066	0.175*	0.761
I305	0.61517 (13)	0.74048 (16)	0.5847 (2)	0.205 (2)	0.676 (12)
Zn33	0.62976 (14)	0.5942 (3)	0.55237 (19)	0.1279 (17)	0.676 (12)
I306	0.65342 (11)	0.5753 (3)	0.47918 (13)	0.214 (2)	0.676 (12)
N312	0.5797 (3)	0.5132 (7)	0.5507 (5)	0.119 (4)
I404	0.24521 (14)	0.2851 (2)	0.6730 (3)	0.214 (3)	0.484 (6)
Zn42	0.3107 (2)	0.3536 (2)	0.7071 (4)	0.161 (3)	0.484 (6)
I403	0.34571 (18)	0.3007 (2)	0.7821 (3)	0.234 (3)	0.484 (6)
I301	0.37751 (16)	1.2284 (2)	0.93888 (18)	0.210 (3)	0.5532
Zn31	0.4197 (2)	1.1189 (4)	0.9053 (3)	0.181 (5)	0.5532
I302	0.47902 (16)	1.1516 (3)	0.87182 (19)	0.239 (3)	0.5532
C332	0.5664 (7)	0.5063 (15)	0.5872 (8)	0.146 (6)	0.761
H332	0.580926	0.533303	0.613530	0.175*	0.761
I501	0.3949 (6)	1.2459 (16)	0.9092 (7)	0.080*	0.0337
I502	0.4731 (8)	1.1477 (18)	0.8470 (9)	0.080*	0.0337
Zn51	0.4260 (18)	1.116 (6)	0.890 (3)	0.080*	0.0337
C432	0.5492 (12)	0.540 (3)	0.566 (2)	0.146 (6)	0.239
H432	0.551302	0.596752	0.580432	0.175*	0.239
C433	0.5103 (10)	0.4905 (19)	0.563 (2)	0.146 (6)	0.239
H433	0.486327	0.514699	0.569242	0.175*	0.239
C404	0.3714 (10)	0.9228 (19)	0.8104 (14)	0.120 (3)	0.45 (7)
H404	0.381612	0.869472	0.800161	0.144*	0.45 (7)
C405	0.3921 (10)	0.9652 (17)	0.8454 (14)	0.120 (3)	0.45 (7)
H405	0.415231	0.938144	0.862144	0.144*	0.45 (7)
C320	0.3749 (5)	0.2553 (11)	0.6160 (7)	0.141 (3)	0.52 (3)
H320	0.370444	0.207983	0.594953	0.170*	0.52 (3)
C321	0.4071 (3)	0.3118 (7)	0.6175 (4)	0.106 (3)
C422	0.4136 (4)	0.3810 (9)	0.6484 (6)	0.141 (3)	0.48 (3)
H422	0.430574	0.429470	0.645295	0.170*	0.48 (3)
C423	0.3879 (6)	0.3938 (12)	0.6777 (7)	0.141 (3)	0.52 (3)
H423	0.389234	0.450677	0.691592	0.170*	0.52 (3)
N307	0.3557 (6)	0.3372 (14)	0.6763 (8)	0.141 (3)	0.52 (3)
C319	0.3492 (5)	0.2680 (14)	0.6454 (9)	0.141 (3)	0.52 (3)
H319	0.327177	0.229396	0.644409	0.170*	0.52 (3)
C322	0.4197 (8)	0.3594 (17)	0.6564 (8)	0.141 (3)	0.52 (3)
H322	0.446949	0.369335	0.668449	0.170*	0.52 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I402	0.0845 (10)	0.0761 (15)	0.0776 (9)	−0.0252 (10)	−0.0114 (10)	0.0001 (10)
I401	0.0993 (11)	0.0488 (12)	0.1135 (16)	0.0068 (8)	−0.0102 (12)	−0.0096 (10)
I405	0.184 (5)	0.044 (2)	0.352 (10)	0.021 (2)	0.017 (7)	−0.019 (3)
I406	0.128 (4)	0.121 (4)	0.413 (16)	0.011 (3)	0.013 (6)	0.050 (6)
I304	0.151 (2)	0.0483 (8)	0.206 (3)	−0.0292 (10)	0.0481 (17)	−0.0330 (11)
Zn41	0.071 (2)	0.054 (3)	0.0656 (19)	0.004 (2)	−0.0158 (19)	0.0071 (19)
I303	0.204 (3)	0.0525 (11)	0.1260 (14)	0.0246 (12)	0.0123 (13)	0.0108 (8)
Zn43	0.144 (8)	0.035 (3)	0.36 (2)	−0.005 (3)	−0.004 (9)	0.023 (5)
Zn32	0.132 (3)	0.0391 (15)	0.130 (3)	0.0101 (16)	0.010 (2)	−0.0045 (14)
N308	0.093 (5)	0.051 (4)	0.136 (7)	0.003 (4)	−0.009 (5)	−0.002 (4)
N311	0.098 (6)	0.058 (5)	0.131 (7)	−0.019 (4)	−0.021 (6)	−0.013 (5)
N309	0.091 (5)	0.055 (4)	0.130 (7)	−0.001 (4)	−0.012 (5)	−0.002 (4)
N302	0.092 (5)	0.029 (3)	0.179 (9)	−0.005 (3)	−0.023 (5)	0.009 (4)
N310	0.091 (5)	0.051 (4)	0.136 (7)	−0.011 (4)	−0.037 (5)	0.000 (4)
N303	0.119 (6)	0.027 (3)	0.155 (8)	−0.012 (3)	−0.056 (6)	−0.008 (4)
N304	0.103 (5)	0.036 (3)	0.157 (8)	−0.019 (3)	−0.027 (5)	−0.004 (4)
C326	0.104 (7)	0.057 (6)	0.136 (9)	−0.002 (5)	−0.039 (7)	−0.004 (6)
N305	0.117 (6)	0.050 (4)	0.177 (9)	−0.015 (4)	−0.072 (6)	0.023 (5)
N301	0.130 (7)	0.053 (4)	0.145 (7)	−0.030 (4)	−0.066 (6)	0.013 (5)
C334	0.092 (6)	0.028 (4)	0.149 (9)	0.008 (4)	−0.027 (7)	0.001 (5)
C325	0.089 (6)	0.041 (4)	0.122 (8)	−0.009 (4)	−0.037 (6)	0.012 (5)
C327	0.118 (8)	0.047 (5)	0.116 (7)	−0.022 (5)	−0.030 (7)	0.001 (5)
N306	0.171 (11)	0.040 (5)	0.233 (15)	0.008 (6)	0.029 (11)	0.001 (7)
C303	0.108 (7)	0.048 (4)	0.115 (7)	−0.022 (4)	−0.029 (6)	0.001 (5)
C331	0.087 (6)	0.049 (5)	0.139 (9)	−0.012 (4)	−0.033 (7)	−0.002 (5)
C309	0.102 (7)	0.050 (5)	0.171 (11)	−0.016 (5)	−0.037 (7)	0.004 (6)
C324	0.094 (6)	0.053 (5)	0.136 (9)	−0.006 (5)	−0.032 (6)	−0.006 (5)
C306	0.093 (6)	0.021 (3)	0.160 (9)	−0.015 (3)	−0.017 (6)	0.007 (4)
C307	0.105 (6)	0.032 (4)	0.150 (9)	−0.023 (4)	−0.038 (6)	0.001 (5)
C330	0.107 (7)	0.073 (6)	0.126 (8)	0.005 (6)	−0.028 (6)	0.009 (6)
N00W	0.160 (7)	0.058 (4)	0.203 (8)	0.002 (4)	0.027 (6)	−0.001 (5)
C308	0.109 (7)	0.036 (4)	0.149 (9)	−0.005 (4)	−0.025 (7)	0.006 (5)
C316	0.110 (7)	0.031 (4)	0.153 (9)	−0.006 (4)	−0.021 (7)	0.003 (5)
C336	0.094 (7)	0.064 (6)	0.172 (12)	−0.009 (5)	−0.020 (7)	−0.011 (7)
C302	0.140 (6)	0.040 (2)	0.144 (6)	−0.005 (3)	−0.060 (5)	0.002 (3)
C335	0.109 (8)	0.079 (7)	0.139 (10)	−0.039 (6)	−0.017 (8)	0.001 (7)
C313	0.154 (11)	0.039 (5)	0.217 (15)	−0.015 (6)	−0.097 (11)	0.015 (7)
C310	0.130 (8)	0.037 (4)	0.184 (12)	−0.008 (5)	−0.073 (9)	−0.005 (6)
C301	0.140 (6)	0.040 (2)	0.144 (6)	−0.005 (3)	−0.060 (5)	0.002 (3)
C311	0.119 (8)	0.049 (5)	0.201 (14)	−0.013 (5)	−0.064 (9)	0.019 (7)
C312	0.142 (10)	0.063 (6)	0.168 (12)	−0.012 (6)	−0.080 (9)	−0.003 (7)
C329	0.124 (11)	0.087 (9)	0.211 (18)	−0.036 (8)	0.025 (12)	−0.009 (10)
C328	0.158 (12)	0.089 (9)	0.190 (15)	−0.034 (9)	0.067 (12)	−0.043 (10)
C323	0.160 (7)	0.058 (4)	0.203 (8)	0.002 (4)	0.027 (6)	−0.001 (5)
C304	0.140 (6)	0.040 (2)	0.144 (6)	−0.005 (3)	−0.060 (5)	0.002 (3)
C315	0.129 (10)	0.058 (6)	0.239 (18)	−0.010 (6)	−0.050 (11)	0.025 (9)
C317	0.123 (8)	0.033 (4)	0.232 (16)	−0.003 (5)	−0.031 (10)	−0.006 (7)
C314	0.27 (2)	0.041 (6)	0.173 (14)	0.007 (9)	−0.048 (15)	0.016 (7)
C305	0.140 (6)	0.040 (2)	0.144 (6)	−0.005 (3)	−0.060 (5)	0.002 (3)
C318	0.160 (12)	0.047 (6)	0.225 (17)	−0.024 (7)	0.003 (13)	−0.025 (8)
C420	0.160 (7)	0.058 (4)	0.203 (8)	0.002 (4)	0.027 (6)	−0.001 (5)
C419	0.160 (7)	0.058 (4)	0.203 (8)	0.002 (4)	0.027 (6)	−0.001 (5)
C333	0.164 (12)	0.120 (11)	0.141 (11)	−0.090 (10)	0.000 (9)	−0.031 (9)
I305	0.174 (2)	0.0485 (11)	0.314 (4)	−0.0079 (11)	−0.150 (3)	0.0299 (14)
Zn33	0.0857 (18)	0.084 (3)	0.176 (3)	−0.0315 (15)	−0.066 (2)	0.055 (2)
I306	0.1139 (16)	0.306 (5)	0.195 (2)	−0.052 (2)	−0.0350 (14)	0.151 (3)
N312	0.089 (5)	0.074 (6)	0.178 (11)	−0.009 (5)	−0.017 (7)	−0.002 (7)
I404	0.155 (3)	0.0639 (15)	0.440 (9)	−0.0531 (16)	0.095 (4)	−0.093 (3)
Zn42	0.158 (5)	0.0252 (15)	0.298 (10)	−0.002 (2)	0.042 (5)	0.005 (3)
I403	0.271 (5)	0.0658 (16)	0.361 (7)	0.018 (2)	0.053 (5)	0.052 (3)
I301	0.277 (5)	0.0575 (15)	0.229 (4)	0.055 (2)	−0.118 (3)	−0.0172 (15)
Zn31	0.204 (6)	0.037 (2)	0.237 (8)	−0.026 (3)	−0.117 (5)	−0.005 (3)
I302	0.258 (5)	0.118 (3)	0.276 (6)	−0.101 (3)	−0.105 (4)	0.025 (3)
C332	0.164 (12)	0.120 (11)	0.141 (11)	−0.090 (10)	0.000 (9)	−0.031 (9)
C432	0.164 (12)	0.120 (11)	0.141 (11)	−0.090 (10)	0.000 (9)	−0.031 (9)
C433	0.164 (12)	0.120 (11)	0.141 (11)	−0.090 (10)	0.000 (9)	−0.031 (9)
C404	0.140 (6)	0.040 (2)	0.144 (6)	−0.005 (3)	−0.060 (5)	0.002 (3)
C405	0.140 (6)	0.040 (2)	0.144 (6)	−0.005 (3)	−0.060 (5)	0.002 (3)
C320	0.160 (7)	0.058 (4)	0.203 (8)	0.002 (4)	0.027 (6)	−0.001 (5)
C321	0.095 (7)	0.085 (7)	0.130 (9)	0.002 (6)	−0.001 (7)	0.002 (7)
C422	0.160 (7)	0.058 (4)	0.203 (8)	0.002 (4)	0.027 (6)	−0.001 (5)
C423	0.160 (7)	0.058 (4)	0.203 (8)	0.002 (4)	0.027 (6)	−0.001 (5)
N307	0.160 (7)	0.058 (4)	0.203 (8)	0.002 (4)	0.027 (6)	−0.001 (5)
C319	0.160 (7)	0.058 (4)	0.203 (8)	0.002 (4)	0.027 (6)	−0.001 (5)
C322	0.160 (7)	0.058 (4)	0.203 (8)	0.002 (4)	0.027 (6)	−0.001 (5)

Geometric parameters (Å, º)

I402—Zn41	2.537 (5)	C336—N312	1.285 (18)
I401—Zn41	2.519 (5)	C302—H302	0.9500
I405—Zn43	2.520 (11)	C302—C301	1.384 (15)
I406—Zn43	2.504 (15)	C335—H335	0.9500
I304—Zn32	2.508 (5)	C313—H313	0.9500
Zn41—N311^i	2.094 (10)	C313—C312	1.367 (16)
Zn41—N301	2.103 (9)	C310—H310	0.9500
I303—Zn32	2.502 (5)	C310—C311	1.325 (15)
Zn43—N305^ii	2.064 (14)	C301—H301	0.9500
Zn43—N312	1.931 (15)	C311—H311	0.9500
Zn32—N306	2.160 (11)	C312—H312	0.9500
Zn32—N00W	1.98 (3)	C329—H329	0.9500
N308—C326	1.339 (17)	C329—C328	1.41 (2)
N308—C324	1.355 (15)	C328—H328	0.9500
N311—C330	1.324 (17)	C323—H323	0.9500
N311—C329	1.26 (2)	C323—C422	1.46 (2)
N311—Zn51^iii	2.36 (10)	C304—H304	0.9500
N309—C325	1.320 (15)	C304—C305	1.329 (18)
N309—C324	1.370 (14)	C315—H315	0.9500
N302—C306	1.349 (11)	C315—C314	1.355 (18)
N302—C308	1.307 (14)	C317—H317	0.9500
N310—C326	1.334 (16)	C317—C318	1.377 (17)
N310—C325	1.367 (14)	C314—H314	0.9500
N303—C306	1.309 (12)	C305—H305	0.9500
N303—C307	1.365 (12)	C318—H318	0.9500
N304—C307	1.341 (12)	C420—H420	0.9500
N304—C308	1.325 (14)	C420—C419	1.383 (18)
C326—C334	1.482 (18)	C420—C321	1.411 (18)
N305—C311	1.308 (16)	C419—H419	0.9500
N305—C312	1.323 (16)	C333—H333	0.9500
N305—Zn33^iv	2.087 (9)	C333—C332	1.52 (2)
N301—C301	1.342 (14)	I305—Zn33	2.497 (6)
N301—C305	1.369 (16)	Zn33—I306	2.536 (7)
N301—Zn31	2.064 (10)	Zn33—N312	2.101 (11)
N301—Zn51	1.97 (8)	N312—C332	1.29 (2)
N301—C405	1.384 (19)	N312—C432	1.30 (3)
C334—C335	1.369 (19)	I404—Zn42	2.514 (7)
C334—C333	1.43 (2)	Zn42—I403	2.496 (10)
C334—C433	1.40 (3)	Zn42—N307	1.977 (12)
C325—C327	1.489 (15)	I301—Zn31	2.538 (8)
C327—C331	1.433 (18)	Zn31—I302	2.504 (10)
C327—C328	1.340 (18)	C332—H332	0.9500
N306—C314	1.28 (2)	I501—Zn51	2.34 (6)
N306—C318	1.32 (2)	I502—Zn51	2.34 (6)
N306—Zn42	2.159 (11)	C432—H432	0.9500
C303—C306	1.472 (13)	C432—C433	1.52 (3)
C303—C302	1.372 (14)	C433—H433	0.9500
C303—C304	1.383 (18)	C404—H404	0.9500
C303—C404	1.380 (19)	C404—C405	1.326 (19)
C331—H331	0.9500	C405—H405	0.9500
C331—C330	1.390 (17)	C320—H320	0.9500
C309—C307	1.459 (15)	C320—C321	1.3900
C309—C313	1.380 (17)	C320—C319	1.3900
C309—C310	1.406 (15)	C321—C422	1.3900
C324—C321	1.401 (17)	C321—C322	1.379 (18)
C330—H330	0.9500	C422—H422	0.9500
N00W—C323	1.388 (18)	C423—H423	0.9500
N00W—C419	1.379 (18)	C423—N307	1.3900
C308—C316	1.521 (12)	C423—C322	1.48 (2)
C316—C315	1.400 (18)	N307—C319	1.3900
C316—C317	1.406 (17)	C319—H319	0.9500
C336—H336	0.9500	C322—H322	0.9500
C336—C335	1.394 (17)
I401—Zn41—I402	126.4 (2)	N305—C311—H311	116.8
N311^i—Zn41—I402	107.8 (4)	C310—C311—H311	116.8
N311^i—Zn41—I401	108.3 (4)	N305—C312—C313	121.9 (11)
N311^i—Zn41—N301	96.9 (4)	N305—C312—H312	119.1
N301—Zn41—I402	101.1 (4)	C313—C312—H312	119.1
N301—Zn41—I401	112.3 (4)	N311—C329—H329	117.7
I406—Zn43—I405	125.2 (5)	N311—C329—C328	124.6 (13)
N305^ii—Zn43—I405	112.6 (7)	C328—C329—H329	117.7
N305^ii—Zn43—I406	94.6 (8)	C327—C328—C329	116.9 (15)
N312—Zn43—I405	117.2 (8)	C327—C328—H328	121.5
N312—Zn43—I406	96.7 (8)	C329—C328—H328	121.5
N312—Zn43—N305^ii	107.1 (6)	N00W—C323—H323	119.8
I303—Zn32—I304	122.2 (2)	N00W—C323—C422	120 (2)
N306—Zn32—I304	105.6 (4)	C422—C323—H323	119.8
N306—Zn32—I303	111.5 (5)	C303—C304—H304	119.0
N00W—Zn32—I304	101.1 (9)	C305—C304—C303	122.0 (14)
N00W—Zn32—I303	115.0 (11)	C305—C304—H304	119.0
N00W—Zn32—N306	98.4 (11)	C316—C315—H315	122.4
C326—N308—C324	117.3 (10)	C314—C315—C316	115.3 (14)
Zn41^iii—N311—Zn51^iii	13.0 (8)	C314—C315—H315	122.4
C330—N311—Zn41^iii	121.6 (11)	C316—C317—H317	121.4
C330—N311—Zn51^iii	109.5 (12)	C318—C317—C316	117.2 (13)
C329—N311—Zn41^iii	117.2 (9)	C318—C317—H317	121.4
C329—N311—C330	121.1 (11)	N306—C314—C315	126.1 (16)
C329—N311—Zn51^iii	128.8 (12)	N306—C314—H314	116.9
C325—N309—C324	116.0 (10)	C315—C314—H314	116.9
C308—N302—C306	113.4 (8)	N301—C305—H305	119.8
C326—N310—C325	113.0 (12)	C304—C305—N301	120.4 (14)
C306—N303—C307	115.5 (8)	C304—C305—H305	119.8
C308—N304—C307	113.9 (8)	N306—C318—C317	121.7 (14)
N308—C326—C334	119.7 (10)	N306—C318—H318	119.1
N310—C326—N308	125.7 (11)	C317—C318—H318	119.1
N310—C326—C334	114.7 (14)	C419—C420—H420	119.7
Zn43^iv—N305—Zn33^iv	13.3 (5)	C419—C420—C321	121 (2)
C311—N305—Zn43^iv	120.4 (9)	C321—C420—H420	119.7
C311—N305—C312	117.0 (9)	N00W—C419—C420	125 (2)
C311—N305—Zn33^iv	125.5 (7)	N00W—C419—H419	117.6
C312—N305—Zn43^iv	122.5 (8)	C420—C419—H419	117.6
C312—N305—Zn33^iv	116.6 (8)	C334—C333—H333	124.8
C301—N301—Zn41	120.5 (7)	C334—C333—C332	110.4 (17)
C301—N301—C305	117.7 (10)	C332—C333—H333	124.8
C305—N301—Zn41	121.4 (9)	N305^ii—Zn33—I305	105.6 (4)
C405—N301—Zn31	118.3 (10)	N305^ii—Zn33—I306	108.2 (5)
C335—C334—C326	122.6 (11)	N305^ii—Zn33—N312	100.3 (5)
C335—C334—C333	123.4 (12)	I305—Zn33—I306	124.7 (2)
C335—C334—C433	110 (2)	N312—Zn33—I305	106.9 (4)
C333—C334—C326	113.7 (14)	N312—Zn33—I306	108.5 (5)
C433—C334—C326	114.6 (17)	C336—N312—Zn43	134.5 (14)
N309—C325—N310	126.7 (10)	C336—N312—Zn33	121.7 (12)
N309—C325—C327	115.3 (10)	C336—N312—C332	120.2 (12)
N310—C325—C327	117.6 (13)	C336—N312—C432	107 (2)
C331—C327—C325	120.6 (10)	C332—N312—Zn43	104.6 (11)
C328—C327—C325	120.6 (14)	C432—N312—Zn33	122.0 (14)
C328—C327—C331	118.5 (11)	N306—Zn42—I404	115.4 (5)
C314—N306—Zn32	108.9 (11)	N306—Zn42—I403	100.6 (6)
C314—N306—C318	119.6 (11)	I403—Zn42—I404	118.8 (3)
C314—N306—Zn42	130.4 (12)	N307—Zn42—N306	103.9 (8)
C318—N306—Zn32	131.4 (10)	N307—Zn42—I404	118.5 (8)
C318—N306—Zn42	109.4 (11)	N307—Zn42—I403	96.5 (9)
C302—C303—C306	120.2 (9)	N311^i—Zn31—I301	107.7 (5)
C302—C303—C304	116.1 (12)	N311^i—Zn31—I302	106.4 (5)
C304—C303—C306	121.7 (10)	N301—Zn31—N311^i	98.5 (4)
C404—C303—C306	122.4 (12)	N301—Zn31—I301	105.4 (5)
C327—C331—H331	120.4	N301—Zn31—I302	107.0 (5)
C330—C331—C327	119.2 (11)	I302—Zn31—I301	127.9 (3)
C330—C331—H331	120.4	C333—C332—H332	118.6
C313—C309—C307	123.1 (10)	N312—C332—C333	122.8 (15)
C313—C309—C310	116.7 (10)	N312—C332—H332	118.6
C310—C309—C307	120.2 (10)	N301—Zn51—N311^i	93 (4)
N308—C324—N309	121.4 (13)	N301—Zn51—I501	101 (2)
N308—C324—C321	118.7 (10)	N301—Zn51—I502	113 (3)
N309—C324—C321	119.8 (10)	I502—Zn51—I501	112 (4)
N302—C306—C303	115.2 (9)	N312—C432—H432	116.7
N303—C306—N302	125.3 (9)	N312—C432—C433	127 (3)
N303—C306—C303	119.5 (8)	C433—C432—H432	116.7
N303—C307—C309	117.2 (9)	C334—C433—C432	107 (3)
N304—C307—N303	123.1 (9)	C334—C433—H433	126.3
N304—C307—C309	119.5 (9)	C432—C433—H433	126.3
N311—C330—C331	119.2 (14)	C303—C404—H404	119.6
N311—C330—H330	120.4	C405—C404—C303	120.8 (19)
C331—C330—H330	120.4	C405—C404—H404	119.6
C323—N00W—Zn32	115 (2)	N301—C405—H405	119.3
C419—N00W—Zn32	131.3 (18)	C404—C405—N301	121.3 (17)
C419—N00W—C323	113.3 (19)	C404—C405—H405	119.3
N302—C308—N304	128.0 (8)	C321—C320—H320	120.0
N302—C308—C316	115.1 (9)	C321—C320—C319	120.0
N304—C308—C316	116.9 (9)	C319—C320—H320	120.0
C315—C316—C308	120.9 (10)	C324—C321—C420	122.0 (16)
C315—C316—C317	119.7 (10)	C320—C321—C324	118.0 (9)
C317—C316—C308	119.4 (9)	C422—C321—C324	122.0 (9)
C335—C336—H336	117.7	C422—C321—C420	113.7 (15)
N312—C336—H336	117.7	C322—C321—C324	120.9 (14)
N312—C336—C335	124.5 (16)	C322—C321—C320	117.4 (11)
C303—C302—H302	119.9	C323—C422—H422	121.7
C303—C302—C301	120.2 (9)	C321—C422—C323	116.5 (14)
C301—C302—H302	119.9	C321—C422—H422	121.7
C334—C335—C336	116.7 (13)	N307—C423—H423	122.2
C334—C335—H335	121.7	N307—C423—C322	115.5 (10)
C336—C335—H335	121.7	C322—C423—H423	122.2
C309—C313—H313	120.0	C423—N307—Zn42	127.1 (11)
C312—C313—C309	120.0 (11)	C423—N307—C319	120.0
C312—C313—H313	120.0	C319—N307—Zn42	112.1 (11)
C309—C310—H310	121.2	C320—C319—H319	120.0
C311—C310—C309	117.6 (11)	N307—C319—C320	120.0
C311—C310—H310	121.2	N307—C319—H319	120.0
N301—C301—C302	120.5 (10)	C321—C322—C423	115.0 (17)
N301—C301—H301	119.8	C321—C322—H322	122.5
C302—C301—H301	119.8	C423—C322—H322	122.5
N305—C311—C310	126.4 (11)
Zn41^iii—N311—C330—C331	169.8 (8)	C307—C309—C313—C312	−178.0 (17)
Zn41^iii—N311—C329—C328	−168.1 (15)	C307—C309—C310—C311	179.8 (15)
Zn41—N301—C301—C302	169.9 (12)	C330—N311—C329—C328	9 (3)
Zn41—N301—C305—C304	−172 (2)	N00W—C323—C422—C321	−37 (4)
Zn43^iv—N305—C311—C310	172.3 (16)	C308—N302—C306—N303	−2 (2)
Zn43^iv—N305—C312—C313	−170.5 (16)	C308—N302—C306—C303	177.8 (12)
Zn43—N312—C332—C333	171 (2)	C308—N304—C307—N303	−6.0 (19)
Zn32—N306—C314—C315	177 (2)	C308—N304—C307—C309	179.6 (13)
Zn32—N306—C318—C317	−179.3 (14)	C308—C316—C315—C314	173.8 (18)
Zn32—N00W—C323—C422	−170 (2)	C308—C316—C317—C318	−176.0 (15)
Zn32—N00W—C419—C420	−167 (3)	C316—C315—C314—N306	4 (4)
N308—C326—C334—C335	−165.7 (10)	C316—C317—C318—N306	1 (3)
N308—C326—C334—C333	20.3 (18)	C336—N312—C332—C333	−17 (3)
N308—C326—C334—C433	−28 (3)	C336—N312—C432—C433	28 (8)
N308—C324—C321—C420	151.7 (18)	C302—C303—C306—N302	−179.4 (13)
N308—C324—C321—C320	171.0 (12)	C302—C303—C306—N303	1 (2)
N308—C324—C321—C422	−10.0 (16)	C302—C303—C304—C305	−12 (5)
N308—C324—C321—C322	−31 (2)	C335—C334—C333—C332	−4 (3)
N311—C329—C328—C327	−7 (3)	C335—C334—C433—C432	−47 (6)
N309—C325—C327—C331	−175.3 (9)	C335—C336—N312—Zn43	176.9 (11)
N309—C325—C327—C328	11.4 (17)	C335—C336—N312—Zn33	175.8 (10)
N309—C324—C321—C420	−23 (2)	C335—C336—N312—C332	8 (2)
N309—C324—C321—C320	−4.1 (16)	C335—C336—N312—C432	−37 (4)
N309—C324—C321—C422	174.9 (12)	C313—C309—C307—N303	−177.8 (16)
N309—C324—C321—C322	153.7 (17)	C313—C309—C307—N304	−3 (2)
N302—C308—C316—C315	−5 (2)	C313—C309—C310—C311	−2 (3)
N302—C308—C316—C317	174.4 (15)	C310—C309—C307—N303	0 (2)
N310—C326—C334—C335	14.1 (14)	C310—C309—C307—N304	175.1 (14)
N310—C326—C334—C333	−159.9 (14)	C310—C309—C313—C312	4 (3)
N310—C326—C334—C433	152 (3)	C301—N301—C305—C304	16 (4)
N310—C325—C327—C331	−2.0 (13)	C311—N305—C312—C313	6 (3)
N310—C325—C327—C328	−175.2 (13)	C312—N305—C311—C310	−4 (3)
N304—C308—C316—C315	174.4 (15)	C329—N311—C330—C331	−7.4 (18)
N304—C308—C316—C317	−6 (2)	C328—C327—C331—C330	−1.8 (18)
C326—N308—C324—N309	−2.9 (14)	C323—N00W—C419—C420	6 (5)
C326—N308—C324—C321	−177.9 (10)	C304—C303—C306—N302	−16 (3)
C326—N310—C325—N309	0.1 (13)	C304—C303—C306—N303	164 (3)
C326—N310—C325—C327	−172.4 (9)	C304—C303—C302—C301	10 (3)
C326—C334—C335—C336	−177.2 (10)	C315—C316—C317—C318	3 (3)
C326—C334—C333—C332	170.1 (17)	C317—C316—C315—C314	−6 (3)
C326—C334—C433—C432	170 (4)	C314—N306—C318—C317	−3 (3)
C334—C333—C332—N312	14 (4)	C305—N301—C301—C302	−18 (3)
C325—N309—C324—N308	1.2 (14)	C318—N306—C314—C315	0 (4)
C325—N309—C324—C321	176.1 (9)	C420—C321—C422—C323	35 (3)
C325—N310—C326—N308	−2.1 (14)	C419—N00W—C323—C422	15 (4)
C325—N310—C326—C334	178.2 (8)	C419—C420—C321—C324	−178 (2)
C325—C327—C331—C330	−175.2 (9)	C419—C420—C321—C422	−15 (3)
C325—C327—C328—C329	176.3 (14)	C333—C334—C335—C336	−4 (2)
C327—C331—C330—N311	3.8 (16)	Zn33^iv—N305—C311—C310	−173.0 (15)
C303—C302—C301—N301	5 (2)	Zn33^iv—N305—C312—C313	175.8 (15)
C303—C304—C305—N301	−1 (5)	Zn33—N312—C432—C433	175 (5)
C303—C404—C405—N301	−8 (5)	N312—C336—C335—C334	3 (2)
C331—C327—C328—C329	3 (2)	N312—C432—C433—C334	13 (10)
C309—C313—C312—N305	−6 (3)	Zn42—N306—C314—C315	171.3 (18)
C309—C310—C311—N305	2 (3)	Zn42—N306—C318—C317	−175.7 (16)
C324—N308—C326—N310	3.4 (15)	Zn42—N307—C319—C320	170.6 (16)
C324—N308—C326—C334	−176.8 (9)	Zn31—N301—C405—C404	−169 (2)
C324—N309—C325—N310	0.2 (14)	Zn51^iii—N311—C330—C331	165 (2)
C324—N309—C325—C327	172.9 (8)	Zn51^iii—N311—C329—C328	−161 (3)
C324—C321—C422—C323	−162 (2)	C433—C334—C335—C336	43 (3)
C324—C321—C322—C423	163.1 (18)	C404—C303—C306—N302	14 (3)
C306—N302—C308—N304	8 (2)	C404—C303—C306—N303	−166 (3)
C306—N302—C308—C316	−173.1 (12)	C320—C321—C322—C423	−39 (3)
C306—N303—C307—N304	10 (2)	C321—C420—C419—N00W	−7 (5)
C306—N303—C307—C309	−175.3 (12)	C321—C320—C319—N307	0.0
C306—C303—C302—C301	174.4 (14)	C423—N307—C319—C320	0.0
C306—C303—C304—C305	−176 (2)	N307—C423—C322—C321	38 (3)
C306—C303—C404—C405	−173 (2)	C319—C320—C321—C324	179.0 (12)
C307—N303—C306—N302	−6 (2)	C319—C320—C321—C322	20.5 (18)
C307—N303—C306—C303	174.1 (12)	C322—C423—N307—Zn42	172 (2)
C307—N304—C308—N302	−4 (2)	C322—C423—N307—C319	−18.7 (16)
C307—N304—C308—C316	177.1 (12)

Symmetry codes: (i) x, −y+1, z+1/2; (ii) x+1/2, y−1/2, z; (iii) x, −y+1, z−1/2; (iv) x−1/2, y+1/2, z.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (25_1_48c)

Crystal data

C108H72I18N36Zn9·1.018(C15H16O3)·1.116(C6H12)	F(000) = 19055
Mr = 5089.17	Dx = 1.402 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 78.5587 (18) Å	Cell parameters from 19374 reflections
b = 14.9697 (2) Å	θ = 2.3–73.8°
c = 41.6779 (6) Å	µ = 19.38 mm^−1
β = 100.259 (2)°	T = 100 K
V = 48229.6 (15) Å^3	Block, light yellow
Z = 8	0.13 × 0.11 × 0.05 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	43855 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	30847 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.037
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.3°
profile data from ω–scans	h = −94→94
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −18→17
Tmin = 0.182, Tmax = 0.470	l = −50→43
143224 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.070	H-atom parameters constrained
wR(F^2) = 0.240	w = 1/[σ^2(Fo^2) + (0.1358P)^2 + 270.6525P] where P = (Fo^2 + 2Fc^2)/3
S = 1.05	(Δ/σ)max = 0.009
43855 reflections	Δρmax = 1.98 e Å^−3
2390 parameters	Δρmin = −1.08 e Å^−3
999 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I309	0.58657 (5)	0.99761 (18)	0.25902 (10)	0.0635 (8)	0.67 (2)
I313	0.60189 (3)	0.02487 (12)	0.40881 (4)	0.0685 (3)	0.760 (3)
I306	0.45169 (6)	1.3908 (3)	0.28362 (11)	0.0823 (11)	0.548 (3)
I407	0.43876 (13)	0.5436 (5)	0.1559 (2)	0.192 (6)	0.305 (12)
I408	0.44160 (12)	0.5420 (5)	0.0533 (2)	0.218 (8)	0.305 (12)
I312	0.62143 (4)	0.8962 (3)	0.60172 (9)	0.0858 (8)	0.760 (3)
I305	0.39746 (5)	1.4660 (2)	0.23202 (10)	0.0810 (8)	0.548 (3)
I314	0.60616 (3)	0.10524 (8)	0.51203 (3)	0.0812 (4)	0.760 (3)
I310	0.63513 (5)	0.8414 (3)	0.25571 (8)	0.0839 (9)	0.67 (2)
I311	0.56682 (3)	1.00044 (12)	0.56781 (5)	0.0877 (5)	0.760 (3)
I303	0.41796 (12)	0.5101 (3)	0.44601 (13)	0.1037 (13)	0.5686
I315	0.75425 (8)	0.4801 (3)	0.60423 (11)	0.1057 (9)	0.79 (3)
I316	0.80237 (3)	0.3267 (5)	0.59444 (8)	0.1041 (10)	0.79 (3)
I304	0.46609 (9)	0.6556 (8)	0.43419 (17)	0.1014 (16)	0.5686
I301	0.26973 (6)	0.9949 (3)	0.24836 (9)	0.0708 (6)	0.507 (3)
I302	0.27042 (4)	0.9219 (2)	0.35096 (7)	0.0781 (6)	0.507 (3)
I317	0.78180 (4)	0.39014 (19)	0.94291 (7)	0.1138 (8)	0.603 (3)
Zn33	0.42146 (7)	1.3540 (3)	0.25266 (12)	0.060 (2)	0.548 (3)
Zn35	0.60371 (7)	0.8533 (4)	0.26107 (12)	0.0535 (11)	0.67 (2)
Zn44	0.45294 (9)	0.5929 (4)	0.10939 (10)	0.041 (2)	0.305 (12)
Zn32	0.43520 (11)	0.6522 (6)	0.4450 (3)	0.0602 (14)	0.5686
Zn36	0.58990 (6)	0.8810 (3)	0.57562 (10)	0.0631 (8)	0.760 (3)
Zn38	0.77147 (6)	0.3367 (3)	0.60429 (9)	0.0721 (14)	0.79 (3)
I318	0.72786 (6)	0.4774 (2)	0.89811 (6)	0.1357 (11)	0.603 (3)
Zn37	0.61498 (4)	0.12287 (18)	0.45652 (6)	0.0628 (6)	0.760 (3)
Zn31	0.28188 (9)	0.9006 (7)	0.29822 (16)	0.0597 (12)	0.507 (3)
Zn39	0.75158 (8)	0.3637 (5)	0.91251 (14)	0.0878 (11)	0.603 (3)
N308	0.44255 (9)	1.0580 (4)	0.13440 (13)	0.0481 (14)
N316	0.56766 (10)	0.5149 (4)	0.15281 (14)	0.0557 (17)
N310	0.44392 (9)	1.0560 (4)	0.07801 (14)	0.0520 (16)
N309	0.43651 (9)	1.1894 (4)	0.10288 (14)	0.0512 (16)
N304	0.39722 (10)	0.9787 (4)	0.33325 (14)	0.0540 (16)
N315	0.53981 (11)	0.4634 (5)	0.12747 (15)	0.0596 (17)
N320	0.60413 (10)	0.5714 (4)	0.39775 (15)	0.0580 (17)
N312	0.45036 (10)	0.7334 (4)	0.10933 (16)	0.0605 (18)
N306	0.41037 (11)	1.2584 (4)	0.27749 (15)	0.0603 (19)
N314	0.54257 (10)	0.5974 (4)	0.15821 (14)	0.0556 (17)
N311	0.43591 (12)	1.2798 (4)	−0.01317 (15)	0.066 (2)
N318	0.59028 (11)	0.7694 (5)	0.22650 (15)	0.0609 (18)
N307	0.42644 (11)	1.2834 (4)	0.21303 (15)	0.0606 (18)
N313	0.47876 (11)	0.5768 (5)	0.11783 (18)	0.0657 (19)
N321	0.59743 (11)	0.7104 (4)	0.41989 (15)	0.0611 (18)
N324	0.61192 (11)	0.2578 (5)	0.44438 (18)	0.0667 (19)
N332	0.76729 (10)	0.1910 (4)	0.76263 (16)	0.0603 (17)
N305	0.42078 (11)	0.7345 (4)	0.41026 (15)	0.0629 (19)
N322	0.60372 (11)	0.5848 (4)	0.45424 (16)	0.0639 (19)
N319	0.60130 (11)	0.7865 (4)	0.30407 (16)	0.0629 (19)
N333	0.77548 (10)	0.0531 (5)	0.74128 (18)	0.0646 (18)
N302	0.36954 (10)	1.0296 (5)	0.30934 (15)	0.0591 (17)
N323	0.59013 (12)	0.8134 (5)	0.53215 (16)	0.072 (2)
N317	0.57911 (13)	0.2233 (5)	0.10038 (18)	0.070 (2)
N334	0.77234 (10)	0.0652 (4)	0.79675 (16)	0.0595 (17)
N303	0.37221 (11)	0.8981 (5)	0.34125 (18)	0.067 (2)
N327	0.70102 (13)	−0.0181 (5)	0.46701 (19)	0.074 (2)
N328	0.72945 (12)	0.0255 (5)	0.49019 (17)	0.071 (2)
C352	0.57059 (12)	0.6497 (5)	0.18493 (17)	0.054 (2)
N335	0.77989 (11)	−0.2632 (5)	0.7852 (2)	0.073 (2)
N326	0.70564 (12)	0.1106 (5)	0.5004 (2)	0.076 (2)
C326	0.44490 (11)	1.0168 (5)	0.10655 (16)	0.0492 (18)
N331	0.77114 (12)	0.2715 (5)	0.64765 (18)	0.071 (2)
O2A	0.52281 (12)	0.9698 (6)	0.2920 (2)	0.081 (3)	0.7685
C324	0.43838 (11)	1.1440 (4)	0.13044 (16)	0.0483 (17)
C343	0.55660 (14)	0.4560 (5)	0.13471 (18)	0.058 (2)
C321	0.43450 (11)	1.1931 (5)	0.15953 (17)	0.0512 (18)
O3A	0.54158 (11)	0.9287 (6)	0.1927 (2)	0.075 (2)	0.7685
N330	0.75660 (12)	0.2546 (6)	0.57107 (18)	0.074 (2)
C334	0.44740 (11)	0.9178 (5)	0.10782 (18)	0.0519 (18)
N325	0.64149 (12)	0.1063 (5)	0.4619 (2)	0.077 (2)
C345	0.56484 (13)	0.3740 (5)	0.12401 (18)	0.059 (2)
C327	0.43869 (13)	1.1913 (5)	0.04593 (18)	0.058 (2)
C362	0.60546 (12)	0.5380 (5)	0.42815 (18)	0.057 (2)
C316	0.39458 (12)	1.1156 (5)	0.30369 (17)	0.0525 (19)
C317	0.41156 (13)	1.1376 (5)	0.31485 (19)	0.060 (2)
H317	0.418171	1.103476	0.331861	0.071*
C357	0.60034 (13)	0.7032 (5)	0.36331 (17)	0.059 (2)
C339	0.51459 (13)	0.5507 (5)	0.13222 (19)	0.059 (2)
N336	0.75322 (15)	0.2952 (5)	0.8692 (2)	0.093 (3)
C344	0.55948 (13)	0.5843 (5)	0.16367 (16)	0.054 (2)
C325	0.43984 (12)	1.1428 (5)	0.07720 (17)	0.054 (2)
C308	0.38647 (11)	1.0367 (5)	0.31591 (17)	0.0514 (18)
C307	0.38916 (12)	0.9112 (5)	0.34621 (19)	0.0562 (19)
N301	0.30836 (12)	0.9178 (5)	0.3023 (3)	0.086 (3)
C370	0.60801 (13)	0.4404 (5)	0.4327 (2)	0.060 (2)
C329	0.43104 (13)	1.3178 (5)	0.01246 (19)	0.064 (2)
H329	0.426406	1.376576	0.010142	0.076*
C406	0.76305 (13)	0.2020 (5)	0.8178 (2)	0.064 (2)
C333	0.45097 (12)	0.8716 (5)	0.13744 (19)	0.058 (2)
H333	0.452450	0.902795	0.157600	0.070*
C320	0.42874 (14)	1.2802 (5)	0.15642 (19)	0.067 (3)
H320	0.427689	1.310192	0.136070	0.081*
C361	0.59946 (13)	0.6699 (5)	0.44902 (19)	0.060 (2)
C342	0.53340 (13)	0.5366 (5)	0.13975 (17)	0.057 (2)
C351	0.56328 (13)	0.7257 (6)	0.19617 (19)	0.062 (2)
H351	0.551256	0.737315	0.190040	0.075*
C318	0.41912 (13)	1.2083 (5)	0.30174 (19)	0.059 (2)
H318	0.430881	1.222228	0.310052	0.071*
C332	0.45230 (13)	0.7797 (5)	0.1367 (2)	0.060 (2)
H332	0.454711	0.748277	0.156756	0.072*
O1A	0.49521 (10)	0.7579 (6)	0.1995 (2)	0.080 (2)	0.7685
H1AA	0.498461	0.709201	0.208552	0.120*	0.7685
C360	0.60070 (12)	0.6574 (5)	0.39549 (18)	0.057 (2)
C363	0.59612 (14)	0.7223 (5)	0.47724 (19)	0.066 (2)
C350	0.57368 (14)	0.7829 (6)	0.21608 (19)	0.064 (2)
H350	0.568654	0.835841	0.222862	0.077*
C322	0.43642 (13)	1.1524 (5)	0.18976 (18)	0.062 (2)
H322	0.440443	1.092613	0.192545	0.074*
C393	0.77152 (13)	0.1856 (6)	0.7073 (2)	0.065 (2)
C397	0.77534 (12)	0.0195 (5)	0.7708 (2)	0.060 (2)
C306	0.36269 (13)	0.9587 (6)	0.3221 (2)	0.062 (2)
C399	0.77758 (13)	−0.0788 (6)	0.7752 (2)	0.064 (2)
C398	0.76800 (12)	0.1496 (5)	0.7909 (2)	0.060 (2)
C309	0.40018 (13)	0.8482 (5)	0.36775 (19)	0.059 (2)
C328	0.43237 (13)	1.2761 (5)	0.04242 (18)	0.062 (2)
H328	0.428921	1.306120	0.060294	0.074*
C355	0.59688 (14)	0.8323 (6)	0.3299 (2)	0.069 (3)
H355	0.593924	0.893761	0.327195	0.083*
C359	0.60410 (15)	0.7006 (5)	0.30787 (19)	0.071 (3)
H359	0.606309	0.667452	0.289619	0.086*
C380	0.72263 (15)	0.0933 (7)	0.5040 (2)	0.074 (3)
C319	0.42445 (15)	1.3239 (5)	0.1836 (2)	0.071 (3)
H319	0.420054	1.383163	0.181263	0.086*
C396	0.77165 (12)	0.1393 (6)	0.7386 (2)	0.060 (2)
C336	0.44716 (14)	0.7784 (6)	0.0811 (2)	0.071 (3)
H336	0.445818	0.745765	0.061276	0.086*
C364	0.59363 (14)	0.8127 (6)	0.4763 (2)	0.068 (2)
H364	0.594021	0.845532	0.456986	0.082*
C379	0.71805 (17)	−0.0292 (6)	0.4722 (2)	0.074 (3)
C405	0.75848 (14)	0.2900 (6)	0.8148 (2)	0.070 (3)
H405	0.758883	0.320891	0.795002	0.084*
C323	0.43245 (14)	1.1995 (5)	0.21563 (19)	0.068 (3)
H323	0.434034	1.171332	0.236376	0.081*
C348	0.58893 (15)	0.2820 (6)	0.1182 (2)	0.071 (3)
H348	0.601089	0.272865	0.122715	0.085*
C356	0.59660 (14)	0.7926 (6)	0.35923 (19)	0.070 (3)
H356	0.593822	0.826716	0.376826	0.083*
C335	0.44575 (15)	0.8686 (6)	0.0798 (2)	0.073 (3)
H335	0.443605	0.897900	0.059224	0.087*
C371	0.61127 (15)	0.4073 (6)	0.4645 (2)	0.073 (3)
H371	0.612062	0.446826	0.482587	0.088*
C312	0.42708 (15)	0.7779 (6)	0.3875 (2)	0.075 (3)
H312	0.438863	0.769665	0.385669	0.090*
C349	0.58198 (15)	0.3582 (6)	0.1307 (2)	0.066 (2)
H349	0.589423	0.398837	0.143906	0.080*
C388	0.73447 (15)	0.1498 (7)	0.5266 (2)	0.076 (3)
C353	0.58793 (15)	0.6376 (6)	0.1942 (2)	0.074 (3)
H353	0.593474	0.587804	0.186362	0.088*
C381	0.72491 (18)	−0.1104 (7)	0.4590 (3)	0.085 (3)
N329	0.7385 (2)	−0.2613 (7)	0.4335 (3)	0.116 (5)
C378	0.69565 (15)	0.0545 (6)	0.4808 (2)	0.074 (3)
C358	0.60406 (16)	0.6554 (6)	0.3364 (2)	0.075 (3)
H358	0.606491	0.593263	0.338021	0.090*
C392	0.77609 (17)	0.1410 (6)	0.6806 (2)	0.086 (3)
H392	0.779442	0.079981	0.682361	0.104*
C354	0.59731 (14)	0.6980 (6)	0.2148 (2)	0.072 (2)
H354	0.609404	0.688567	0.221105	0.086*
C372	0.61331 (17)	0.3164 (7)	0.4695 (2)	0.083 (3)
H372	0.615778	0.294278	0.491175	0.099*
C375	0.67691 (16)	0.0735 (7)	0.4739 (3)	0.081 (3)
C313	0.41689 (14)	0.8353 (6)	0.3662 (2)	0.070 (3)
H313	0.421840	0.866125	0.350216	0.084*
C315	0.38546 (13)	1.1692 (6)	0.2792 (2)	0.069 (2)
H315	0.373550	1.158089	0.271227	0.083*
C303	0.34410 (14)	0.9452 (6)	0.3152 (2)	0.073 (3)
C314	0.39368 (15)	1.2377 (6)	0.2666 (2)	0.071 (3)
H314	0.387323	1.272308	0.249457	0.085*
C365	0.59051 (15)	0.8556 (5)	0.5043 (2)	0.070 (3)
H365	0.588564	0.918212	0.503454	0.084*
C395	0.76684 (15)	0.3141 (6)	0.6736 (2)	0.078 (3)
H395	0.763405	0.374998	0.671295	0.093*
C368	0.60898 (14)	0.2896 (6)	0.4143 (2)	0.073 (3)
H368	0.608216	0.248921	0.396650	0.088*
C404	0.75325 (14)	0.3342 (6)	0.8406 (2)	0.073 (3)
H404	0.749562	0.394515	0.837795	0.087*
C331	0.44372 (18)	1.1508 (5)	0.0193 (2)	0.086 (4)
H331	0.448216	1.091762	0.020783	0.103*
C394	0.76723 (15)	0.2731 (6)	0.7029 (2)	0.076 (3)
H394	0.764446	0.306538	0.720630	0.091*
C340	0.50641 (15)	0.6049 (7)	0.1514 (2)	0.081 (3)
H340	0.512847	0.634909	0.169703	0.098*
C369	0.60695 (15)	0.3806 (6)	0.4076 (2)	0.072 (3)
H369	0.604838	0.400960	0.385657	0.086*
C337	0.48700 (16)	0.5278 (7)	0.0982 (3)	0.080 (3)
H337	0.480425	0.503307	0.078894	0.096*
C7A	0.53203 (14)	0.9529 (6)	0.2422 (2)	0.061 (3)	0.7685
C330	0.44206 (19)	1.1979 (6)	−0.0096 (2)	0.091 (4)
H330	0.445545	1.169742	−0.027805	0.110*
C346	0.55420 (17)	0.3115 (7)	0.1062 (3)	0.093 (4)
H346	0.541967	0.317419	0.102174	0.111*
C401	0.77959 (15)	−0.2285 (7)	0.7561 (3)	0.083 (3)
H401	0.780034	−0.267881	0.738379	0.100*
C338	0.50445 (15)	0.5118 (7)	0.1049 (2)	0.079 (3)
H338	0.509635	0.474271	0.090948	0.094*
C385	0.7417 (2)	−0.1383 (8)	0.4697 (3)	0.096 (4)
H385	0.749114	−0.105733	0.486115	0.115*
C366	0.5924 (2)	0.7267 (6)	0.5321 (2)	0.114 (5)
H366	0.592414	0.695624	0.551965	0.137*
C341	0.48830 (16)	0.6152 (7)	0.1434 (3)	0.084 (3)
H341	0.482706	0.651463	0.157121	0.100*
C403	0.77814 (17)	−0.1166 (7)	0.8058 (3)	0.090 (3)
H403	0.777560	−0.079123	0.823995	0.108*
C390	0.76256 (15)	0.2008 (8)	0.5500 (3)	0.086 (3)
H390	0.774670	0.198602	0.550315	0.103*
C389	0.75198 (16)	0.1489 (8)	0.5282 (3)	0.086 (3)
H389	0.756863	0.111460	0.513855	0.103*
C400	0.77866 (16)	−0.1361 (7)	0.7498 (3)	0.083 (3)
H400	0.778767	−0.113743	0.728550	0.100*
C402	0.77954 (17)	−0.2086 (7)	0.8103 (3)	0.090 (3)
H402	0.780252	−0.232794	0.831562	0.108*
C367	0.5948 (2)	0.6773 (6)	0.5055 (2)	0.109 (5)
H367	0.595541	0.613984	0.506591	0.131*
C407	0.7627 (2)	0.1609 (6)	0.8471 (3)	0.107 (5)
H407	0.765857	0.099893	0.850268	0.129*
C391	0.77568 (18)	0.1869 (7)	0.6517 (3)	0.092 (4)
H391	0.778836	0.155797	0.633791	0.110*
C8A	0.52644 (16)	1.0101 (7)	0.2643 (3)	0.074 (3)	0.7685
C347	0.5626 (2)	0.2381 (8)	0.0943 (3)	0.101 (4)
H347	0.555515	0.196295	0.080786	0.121*
C1A	0.54038 (11)	0.6745 (3)	0.26229 (19)	0.073 (3)	0.7685
H1A	0.542400	0.612828	0.266748	0.087*	0.7685
C2A	0.55144 (9)	0.7381 (5)	0.27904 (16)	0.071 (3)	0.7685
H2A	0.561012	0.719883	0.294951	0.085*	0.7685
C3A	0.54848 (8)	0.8284 (4)	0.27252 (15)	0.057 (3)	0.7685
H3A	0.556036	0.871876	0.283967	0.068*	0.7685
C4A	0.53447 (9)	0.8551 (3)	0.24924 (16)	0.055 (2)	0.7685
C5A	0.52341 (8)	0.7915 (4)	0.23249 (16)	0.067 (3)	0.7685
C6A	0.52637 (10)	0.7012 (4)	0.23901 (18)	0.077 (4)	0.7685
H6A	0.518812	0.657768	0.227562	0.093*	0.7685
C12A	0.53598 (17)	0.9891 (7)	0.2137 (3)	0.073 (3)	0.7685
C304	0.33352 (16)	0.9871 (9)	0.2905 (4)	0.117 (5)
H304	0.338348	1.028267	0.277299	0.140*
C383	0.7221 (3)	−0.2352 (10)	0.4220 (4)	0.122 (5)
H383	0.715275	−0.269052	0.405121	0.146*
C376	0.66622 (18)	0.0334 (9)	0.4487 (4)	0.111 (5)
H376	0.670768	−0.006840	0.434740	0.133*
C305	0.31634 (18)	0.9718 (10)	0.2842 (4)	0.124 (6)
H305	0.309584	1.000997	0.266068	0.149*
C377	0.64902 (19)	0.0512 (10)	0.4437 (4)	0.115 (5)
H377	0.641854	0.022329	0.425993	0.138*
C373	0.65125 (19)	0.1470 (9)	0.4857 (4)	0.113 (5)
H373	0.646074	0.187111	0.498842	0.136*
C311	0.40441 (18)	0.7504 (9)	0.4136 (3)	0.104 (4)
H311	0.400176	0.723152	0.431262	0.125*
C384	0.7478 (2)	−0.2143 (9)	0.4562 (3)	0.118 (6)
H384	0.759326	−0.232770	0.464009	0.142*
C11A	0.53433 (18)	1.0804 (7)	0.2078 (4)	0.096 (5)	0.7685
H11A	0.537007	1.104662	0.188219	0.115*	0.7685
C408	0.7577 (3)	0.2099 (7)	0.8718 (3)	0.143 (7)
H408	0.757385	0.180668	0.891977	0.172*
C310	0.39365 (17)	0.8037 (10)	0.3929 (3)	0.112 (5)
H310	0.381924	0.811031	0.395304	0.134*
C9A	0.52431 (18)	1.1008 (7)	0.2579 (3)	0.091 (5)	0.7685
H9A	0.519754	1.138707	0.272635	0.109*	0.7685
C10A	0.52889 (18)	1.1350 (8)	0.2301 (4)	0.101 (5)	0.7685
H10A	0.528247	1.197646	0.226326	0.122*	0.7685
C382	0.7146 (2)	−0.1587 (9)	0.4343 (4)	0.123 (5)
H382	0.703077	−0.141157	0.426050	0.148*
C301	0.31788 (19)	0.8768 (11)	0.3267 (4)	0.132 (6)
H301	0.312546	0.838373	0.340113	0.159*
C374	0.66921 (18)	0.1341 (10)	0.4929 (4)	0.114 (5)
H374	0.676090	0.165690	0.510324	0.137*
C302	0.33597 (17)	0.8889 (11)	0.3335 (4)	0.122 (6)
H302	0.342644	0.857220	0.351172	0.146*
C14A	0.5154 (2)	1.0252 (11)	0.3145 (4)	0.104 (6)	0.7685
H14A	0.504453	1.050547	0.303280	0.157*	0.7685
H14B	0.523461	1.073625	0.322421	0.157*	0.7685
H14C	0.513329	0.988847	0.332948	0.157*	0.7685
C13A	0.50857 (15)	0.8219 (7)	0.2071 (4)	0.090 (4)	0.7685
H13A	0.503670	0.877106	0.214823	0.108*	0.7685
H13B	0.512988	0.836812	0.186926	0.108*	0.7685
C387	0.72831 (19)	0.2036 (12)	0.5493 (4)	0.144 (7)
H387	0.716260	0.205953	0.549593	0.173*
C386	0.73956 (19)	0.2531 (12)	0.5711 (4)	0.142 (7)
H386	0.735118	0.287773	0.586833	0.171*
I405	0.40125 (13)	1.4802 (5)	0.23444 (17)	0.157 (4)	0.421 (3)
Zn43	0.42241 (14)	1.3561 (5)	0.25377 (15)	0.088 (5)	0.421 (3)
I406	0.45170 (9)	1.3852 (4)	0.28747 (16)	0.117 (2)	0.421 (3)
I403	0.4217 (2)	0.5087 (5)	0.4430 (2)	0.129 (4)	0.3744
Zn42	0.43755 (17)	0.6543 (11)	0.4411 (5)	0.072 (4)	0.3744
I404	0.46827 (16)	0.6762 (12)	0.4325 (3)	0.115 (4)	0.3744
I409	0.5915 (2)	0.9954 (4)	0.2658 (3)	0.109 (3)	0.33 (2)
Zn45	0.60619 (19)	0.8440 (9)	0.2625 (3)	0.092 (5)	0.33 (2)
I410	0.63804 (18)	0.8274 (11)	0.2597 (3)	0.135 (3)	0.33 (2)
Zn41	0.28204 (12)	0.8997 (8)	0.2894 (3)	0.094 (3)	0.418 (3)
I402	0.27259 (9)	0.9303 (4)	0.3434 (2)	0.174 (3)	0.418 (3)
I401	0.27089 (8)	0.9811 (3)	0.23660 (17)	0.129 (3)	0.418 (3)
I415	0.7597 (6)	0.4816 (9)	0.6055 (3)	0.121 (6)	0.21 (3)
Zn48	0.7732 (2)	0.3280 (12)	0.6040 (3)	0.086 (7)	0.21 (3)
I416	0.8036 (2)	0.304 (2)	0.5948 (4)	0.130 (5)	0.21 (3)
I418	0.71720 (16)	0.4579 (5)	0.8803 (3)	0.296 (7)	0.351 (3)
Zn49	0.74299 (16)	0.3657 (6)	0.9036 (2)	0.155 (6)	0.351 (3)
I417	0.77074 (18)	0.4240 (5)	0.93737 (11)	0.286 (7)	0.351 (3)
I411	0.56059 (18)	0.9811 (5)	0.5601 (3)	0.145 (6)	0.211 (3)
Zn46	0.5856 (2)	0.8710 (12)	0.5763 (4)	0.089 (7)	0.211 (3)
I412	0.6168 (2)	0.9132 (10)	0.5998 (3)	0.099 (4)	0.211 (3)
I308	0.44093 (3)	0.53294 (13)	0.05309 (3)	0.0768 (8)	0.695 (12)
Zn34	0.45228 (6)	0.5958 (3)	0.10955 (11)	0.093 (2)	0.695 (12)
I307	0.44125 (3)	0.53675 (11)	0.15878 (4)	0.0705 (7)	0.695 (12)
I503	0.40456 (18)	0.5252 (10)	0.4458 (3)	0.080*	0.057
I504	0.45833 (18)	0.6029 (10)	0.4391 (3)	0.080*	0.057
Zn52	0.4278 (3)	0.6417 (18)	0.4466 (11)	0.080*	0.057
I518	0.7089 (2)	0.4250 (15)	0.8567 (4)	0.080*	0.0459 (17)
I519	0.7555 (2)	0.4707 (13)	0.9267 (5)	0.080*	0.0459 (17)
Zn59	0.7349 (6)	0.363 (5)	0.8939 (14)	0.080*	0.0459 (17)
I505	0.4080 (6)	1.487 (4)	0.2389 (14)	0.080*	0.031 (2)
I506	0.4613 (5)	1.393 (2)	0.2885 (9)	0.080*	0.031 (2)
Zn53	0.4288 (13)	1.361 (7)	0.258 (2)	0.080*	0.031 (2)
I501	0.2760 (2)	0.9550 (13)	0.2145 (4)	0.080*	0.0514 (18)
I17	0.2744 (2)	0.9537 (12)	0.3231 (5)	0.080*	0.0514 (18)
Zn51	0.2845 (5)	0.895 (3)	0.2691 (11)	0.080*	0.0514 (18)
I413	0.60325 (12)	0.0354 (5)	0.3952 (3)	0.157 (4)	0.240 (3)
Zn47	0.61526 (16)	0.1189 (8)	0.4468 (4)	0.164 (8)	0.240 (3)
I414	0.60545 (14)	0.0816 (8)	0.5003 (4)	0.236 (6)	0.240 (3)
I511	0.5562 (5)	0.960 (3)	0.5518 (10)	0.080*	0.029 (2)
I512	0.6103 (4)	0.940 (3)	0.5964 (9)	0.080*	0.029 (2)
Zn56	0.5836 (5)	0.864 (5)	0.5635 (17)	0.080*	0.029 (2)
I602	0.2684 (4)	0.962 (2)	0.3049 (9)	0.080*	0.0237 (11)
I601	0.2805 (4)	0.932 (2)	0.1957 (8)	0.080*	0.0237 (11)
Zn61	0.2843 (8)	0.897 (4)	0.2503 (19)	0.080*	0.0237 (11)
C15A	0.5471 (3)	0.9616 (13)	0.1641 (5)	0.134 (8)	0.7685
H15A	0.549037	0.911272	0.150169	0.201*	0.7685
H15B	0.557898	0.995161	0.170359	0.201*	0.7685
H15C	0.538180	1.000902	0.152226	0.201*	0.7685
C4B	0.6762 (4)	0.2228 (15)	0.5879 (5)	0.074 (6)	0.2497
C3B	0.6879 (4)	0.154 (2)	0.5913 (7)	0.086 (8)	0.2497
H3B	0.699920	0.165178	0.597541	0.103*	0.2497
C5B	0.6587 (3)	0.208 (2)	0.5791 (6)	0.083 (6)	0.2497
O2B	0.6729 (4)	0.313 (2)	0.6446 (6)	0.098 (8)	0.2497
C6B	0.6526 (4)	0.122 (2)	0.5731 (6)	0.090 (8)	0.2497
H6B	0.640524	0.110146	0.567164	0.109*	0.2497
C2B	0.6819 (5)	0.068 (2)	0.5854 (7)	0.098 (9)	0.2497
H2B	0.689797	0.018729	0.587624	0.117*	0.2497
C7B	0.6836 (3)	0.3128 (14)	0.5961 (7)	0.097 (7)	0.2497
C12B	0.6925 (4)	0.352 (2)	0.5736 (6)	0.118 (9)	0.2497
C11B	0.6995 (4)	0.437 (2)	0.5792 (8)	0.124 (11)	0.2497
H11B	0.705563	0.463117	0.563866	0.149*	0.2497
C10B	0.6976 (4)	0.4830 (16)	0.6073 (9)	0.122 (11)	0.2497
H10B	0.702358	0.541171	0.611069	0.146*	0.2497
C9B	0.6887 (4)	0.444 (2)	0.6297 (7)	0.113 (10)	0.2497
H9B	0.687415	0.475937	0.648891	0.135*	0.2497
C8B	0.6817 (3)	0.359 (2)	0.6242 (6)	0.099 (8)	0.2497
C1B	0.6644 (5)	0.054 (2)	0.5761 (8)	0.101 (9)	0.2497
H1B	0.660357	−0.005765	0.571637	0.121*	0.2497
C13B	0.6483 (5)	0.293 (3)	0.5780 (10)	0.108 (10)	0.2497
H13C	0.643904	0.299977	0.598763	0.129*	0.2497
H13D	0.655719	0.344592	0.575463	0.129*	0.2497
O3B	0.6928 (5)	0.302 (2)	0.5460 (8)	0.144 (12)	0.2497
O1B	0.6342 (5)	0.290 (3)	0.5517 (10)	0.143 (15)	0.2497
H1BA	0.630417	0.237177	0.549332	0.214*	0.2497
C14B	0.6726 (8)	0.347 (4)	0.6767 (9)	0.121 (17)	0.2497
H14D	0.662888	0.387818	0.676001	0.181*	0.2497
H14E	0.683480	0.378029	0.684745	0.181*	0.2497
H14F	0.671347	0.296629	0.691310	0.181*	0.2497
C15B	0.7004 (12)	0.340 (5)	0.5202 (14)	0.18 (2)	0.2497
H15D	0.712379	0.319468	0.522336	0.263*	0.2497
H15E	0.700104	0.405068	0.521487	0.263*	0.2497
H15F	0.693808	0.320233	0.499136	0.263*	0.2497
C809	0.6492 (4)	0.095 (2)	0.3590 (7)	0.080 (9)	0.2329
H2C	0.653989	0.047328	0.374538	0.096*	0.2329
H2D	0.658232	0.111937	0.346310	0.096*	0.2329
C810	0.6442 (4)	0.176 (2)	0.3777 (6)	0.074 (8)	0.2329
H3C	0.654641	0.199275	0.392349	0.089*	0.2329
H3D	0.635724	0.158091	0.391380	0.089*	0.2329
C811	0.6364 (4)	0.2503 (19)	0.3540 (7)	0.089 (9)	0.2329
H7A	0.645141	0.270607	0.341068	0.106*	0.2329
H7B	0.633179	0.301958	0.366412	0.106*	0.2329
C812	0.6203 (4)	0.214 (3)	0.3309 (8)	0.103 (10)	0.2329
H8A	0.611397	0.196882	0.343789	0.124*	0.2329
H8B	0.615428	0.261649	0.315424	0.124*	0.2329
C807	0.6252 (6)	0.133 (3)	0.3120 (7)	0.125 (13)	0.2329
H9C	0.633643	0.151175	0.298138	0.150*	0.2329
H9D	0.614796	0.109527	0.297572	0.150*	0.2329
C808	0.6332 (5)	0.059 (2)	0.3357 (9)	0.101 (11)	0.2329
H10C	0.624550	0.037534	0.348426	0.122*	0.2329
H10D	0.636640	0.007787	0.323115	0.122*	0.2329
C829	0.4973 (3)	0.262 (2)	0.3969 (6)	0.080*	0.2847
H11C	0.491961	0.233858	0.414223	0.096*	0.2847
H11D	0.492395	0.322284	0.392663	0.096*	0.2847
C828	0.4933 (4)	0.206 (2)	0.3658 (6)	0.080*	0.2847
H15G	0.497456	0.143871	0.370473	0.096*	0.2847
H15H	0.480581	0.203415	0.358261	0.096*	0.2847
C827	0.5019 (3)	0.246 (2)	0.3393 (5)	0.080*	0.2847
H17A	0.496648	0.304942	0.333008	0.096*	0.2847
H17B	0.499772	0.206883	0.319884	0.096*	0.2847
C826	0.5214 (3)	0.257 (2)	0.3504 (6)	0.080*	0.2847
H19A	0.526256	0.288068	0.333078	0.096*	0.2847
H19B	0.526845	0.197842	0.353880	0.096*	0.2847
C825	0.5256 (3)	0.311 (2)	0.3819 (6)	0.080*	0.2847
H13E	0.521297	0.373369	0.377946	0.096*	0.2847
H13F	0.538235	0.313539	0.389355	0.096*	0.2847
C830	0.5169 (3)	0.268 (2)	0.4081 (5)	0.080*	0.2847
H22A	0.519470	0.303697	0.428419	0.096*	0.2847
H22B	0.521757	0.207347	0.412983	0.096*	0.2847
C813	0.6638 (6)	0.704 (4)	0.4081 (16)	0.125 (16)	0.1726
H4A	0.670556	0.731963	0.427889	0.150*	0.1726
H4B	0.667265	0.640986	0.407404	0.150*	0.1726
C818	0.6443 (6)	0.710 (3)	0.4095 (16)	0.118 (15)	0.1726
H5A	0.641923	0.678065	0.429028	0.141*	0.1726
H5B	0.637495	0.681305	0.389950	0.141*	0.1726
C817	0.6390 (6)	0.809 (4)	0.4110 (14)	0.110 (15)	0.1726
H6C	0.645846	0.837913	0.430428	0.132*	0.1726
H6D	0.626594	0.813245	0.412538	0.132*	0.1726
C816	0.6423 (6)	0.856 (4)	0.3797 (15)	0.114 (15)	0.1726
H12A	0.638560	0.919027	0.379743	0.136*	0.1726
H12B	0.635594	0.826192	0.360304	0.136*	0.1726
C815	0.6618 (6)	0.851 (4)	0.3784 (17)	0.126 (15)	0.1726
H14G	0.664102	0.882639	0.358645	0.151*	0.1726
H14H	0.668517	0.881552	0.397736	0.151*	0.1726
C814	0.6674 (7)	0.753 (4)	0.3776 (15)	0.126 (16)	0.1726
H16A	0.661057	0.723792	0.357802	0.151*	0.1726
H16B	0.679955	0.750017	0.376920	0.151*	0.1726
C819	0.6336 (8)	0.483 (4)	0.6238 (12)	0.125 (15)	0.1882
H18A	0.646373	0.478038	0.627345	0.150*	0.1882
H18B	0.629006	0.461229	0.601531	0.150*	0.1882
C824	0.6286 (8)	0.581 (3)	0.6264 (10)	0.121 (15)	0.1882
H1CA	0.616126	0.587950	0.617678	0.146*	0.1882
H1CB	0.635059	0.617411	0.612740	0.146*	0.1882
C823	0.6324 (8)	0.617 (3)	0.6614 (12)	0.126 (15)	0.1882
H1DA	0.627496	0.677418	0.661917	0.151*	0.1882
H1DB	0.645075	0.620960	0.668735	0.151*	0.1882
C822	0.6247 (8)	0.556 (4)	0.6852 (11)	0.125 (15)	0.1882
H1EA	0.628178	0.579321	0.707673	0.150*	0.1882
H1EB	0.611955	0.557745	0.679593	0.150*	0.1882
C821	0.6311 (7)	0.460 (3)	0.6836 (11)	0.122 (14)	0.1882
H1FA	0.625502	0.421580	0.698209	0.147*	0.1882
H1FB	0.643733	0.457252	0.691268	0.147*	0.1882
C820	0.6267 (8)	0.423 (3)	0.6485 (14)	0.129 (15)	0.1882
H1GA	0.631766	0.362713	0.647931	0.155*	0.1882
H1GB	0.614026	0.417755	0.642153	0.155*	0.1882
C804	0.3025 (6)	0.983 (3)	0.1796 (9)	0.154 (17)	0.237
H1HA	0.294283	1.003360	0.193458	0.185*	0.237
H1HB	0.305624	1.035258	0.167139	0.185*	0.237
C803	0.3188 (4)	0.946 (3)	0.2009 (9)	0.149 (17)	0.237
H1IA	0.324063	0.991995	0.216579	0.178*	0.237
H1IB	0.327307	0.928982	0.187147	0.178*	0.237
C802	0.3142 (5)	0.863 (3)	0.2197 (8)	0.150 (17)	0.237
H1JA	0.324648	0.841465	0.234441	0.180*	0.237
H1JB	0.305470	0.879712	0.233132	0.180*	0.237
C801	0.3070 (5)	0.789 (3)	0.1957 (11)	0.160 (17)	0.237
H1KA	0.315940	0.770425	0.183141	0.192*	0.237
H1KB	0.303809	0.736868	0.207852	0.192*	0.237
C806	0.2910 (5)	0.823 (3)	0.1723 (10)	0.166 (17)	0.237
H1LA	0.287491	0.777356	0.155209	0.199*	0.237
H1LB	0.281408	0.830619	0.184468	0.199*	0.237
C805	0.2942 (6)	0.911 (4)	0.1561 (8)	0.172 (18)	0.237
H1MA	0.282941	0.933891	0.144260	0.206*	0.237
H1MB	0.301649	0.899877	0.139746	0.206*	0.237

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I309	0.1126 (19)	0.0359 (6)	0.0439 (10)	−0.0045 (6)	0.0188 (9)	0.0077 (6)
I313	0.0851 (7)	0.0363 (5)	0.0826 (6)	−0.0002 (4)	0.0113 (5)	−0.0075 (4)
I306	0.111 (2)	0.0624 (13)	0.0833 (18)	−0.0226 (15)	0.0433 (14)	−0.0364 (12)
I407	0.133 (5)	0.071 (3)	0.378 (17)	−0.006 (3)	0.062 (5)	0.077 (6)
I408	0.179 (7)	0.085 (4)	0.338 (15)	0.041 (4)	−0.101 (7)	−0.127 (6)
I312	0.1178 (11)	0.0686 (18)	0.0786 (13)	−0.0244 (12)	0.0382 (9)	−0.0247 (11)
I305	0.1373 (19)	0.0306 (11)	0.0865 (14)	0.0235 (9)	0.0511 (11)	0.0186 (8)
I314	0.1349 (10)	0.0386 (5)	0.0757 (6)	0.0018 (5)	0.0340 (5)	0.0117 (4)
I310	0.0859 (13)	0.0972 (13)	0.0690 (12)	−0.0098 (10)	0.0150 (8)	0.0185 (8)
I311	0.1515 (13)	0.0321 (8)	0.0867 (8)	0.0003 (8)	0.0410 (8)	0.0043 (6)
I303	0.231 (3)	0.0418 (14)	0.0398 (11)	−0.0317 (18)	0.029 (2)	−0.0077 (8)
I315	0.157 (3)	0.0568 (9)	0.1096 (19)	0.0067 (8)	0.0405 (12)	0.0167 (8)
I316	0.0913 (17)	0.130 (3)	0.0910 (13)	−0.0270 (10)	0.0155 (12)	0.0227 (13)
I304	0.107 (2)	0.136 (5)	0.0576 (15)	0.045 (2)	0.0051 (14)	−0.037 (2)
I301	0.0697 (10)	0.0421 (11)	0.1000 (13)	0.0012 (7)	0.0132 (9)	0.0098 (8)
I302	0.0966 (14)	0.0556 (10)	0.0920 (10)	−0.0030 (9)	0.0436 (10)	−0.0129 (7)
I317	0.1671 (17)	0.0953 (15)	0.0912 (13)	−0.0529 (11)	0.0562 (10)	−0.0322 (10)
Zn33	0.094 (3)	0.029 (3)	0.065 (4)	−0.002 (2)	0.037 (2)	0.002 (2)
Zn35	0.087 (2)	0.0368 (16)	0.0372 (17)	−0.0094 (13)	0.0108 (12)	−0.0005 (12)
Zn44	0.080 (5)	0.018 (4)	0.025 (2)	0.007 (3)	0.014 (3)	−0.008 (2)
Zn32	0.122 (4)	0.037 (2)	0.022 (2)	0.019 (2)	0.015 (3)	−0.0023 (13)
Zn36	0.1195 (17)	0.0295 (12)	0.0490 (15)	−0.0174 (17)	0.0387 (13)	−0.0055 (9)
Zn38	0.097 (3)	0.057 (2)	0.061 (2)	−0.0179 (15)	0.0123 (17)	−0.0010 (15)
I318	0.253 (3)	0.0585 (9)	0.1202 (14)	0.0394 (14)	0.1012 (16)	0.0251 (9)
Zn37	0.0924 (17)	0.0309 (11)	0.0661 (10)	0.0033 (10)	0.0166 (9)	0.0012 (7)
Zn31	0.070 (2)	0.039 (2)	0.0728 (19)	−0.0073 (16)	0.0199 (15)	−0.0033 (14)
Zn39	0.157 (3)	0.0473 (16)	0.0718 (17)	−0.0144 (18)	0.0543 (19)	−0.0077 (12)
N308	0.084 (4)	0.028 (3)	0.034 (3)	−0.005 (3)	0.015 (3)	−0.002 (2)
N316	0.098 (5)	0.038 (3)	0.034 (3)	−0.004 (3)	0.018 (3)	0.000 (3)
N310	0.095 (5)	0.024 (3)	0.041 (3)	−0.004 (3)	0.021 (3)	−0.005 (2)
N309	0.097 (5)	0.022 (3)	0.037 (3)	−0.003 (3)	0.018 (3)	−0.003 (2)
N304	0.095 (5)	0.034 (3)	0.036 (3)	0.000 (3)	0.021 (3)	0.006 (2)
N315	0.094 (6)	0.044 (4)	0.042 (3)	0.007 (4)	0.014 (3)	0.003 (3)
N320	0.097 (5)	0.036 (3)	0.044 (3)	−0.010 (3)	0.019 (3)	−0.007 (3)
N312	0.098 (5)	0.029 (3)	0.054 (4)	0.003 (3)	0.009 (3)	−0.002 (3)
N306	0.108 (6)	0.036 (3)	0.043 (3)	0.008 (4)	0.033 (4)	0.004 (3)
N314	0.095 (6)	0.038 (3)	0.034 (3)	0.003 (3)	0.013 (3)	0.000 (3)
N311	0.128 (7)	0.032 (3)	0.037 (3)	−0.014 (4)	0.012 (3)	−0.004 (3)
N318	0.101 (6)	0.047 (4)	0.036 (3)	−0.001 (4)	0.014 (3)	−0.003 (3)
N307	0.115 (6)	0.030 (3)	0.045 (3)	−0.004 (3)	0.037 (4)	0.000 (3)
N313	0.095 (5)	0.038 (4)	0.063 (4)	−0.003 (4)	0.010 (4)	0.000 (3)
N321	0.116 (6)	0.031 (3)	0.040 (3)	−0.010 (3)	0.024 (3)	−0.008 (3)
N324	0.098 (6)	0.037 (4)	0.066 (4)	−0.001 (4)	0.019 (4)	0.006 (3)
N332	0.094 (5)	0.035 (3)	0.056 (4)	−0.006 (3)	0.024 (3)	−0.004 (3)
N305	0.110 (6)	0.038 (3)	0.042 (3)	0.002 (4)	0.016 (3)	0.004 (3)
N322	0.108 (6)	0.037 (3)	0.049 (4)	−0.007 (4)	0.019 (4)	−0.003 (3)
N319	0.106 (6)	0.038 (3)	0.047 (3)	−0.017 (4)	0.020 (3)	−0.006 (3)
N333	0.091 (5)	0.039 (4)	0.068 (4)	−0.003 (3)	0.026 (4)	−0.010 (3)
N302	0.086 (5)	0.048 (4)	0.043 (3)	−0.002 (3)	0.010 (3)	0.002 (3)
N323	0.138 (7)	0.035 (4)	0.047 (4)	−0.016 (4)	0.026 (4)	−0.005 (3)
N317	0.113 (7)	0.045 (4)	0.060 (4)	0.008 (4)	0.037 (4)	−0.003 (3)
N334	0.091 (5)	0.037 (3)	0.054 (4)	−0.002 (3)	0.022 (3)	−0.001 (3)
N303	0.092 (6)	0.048 (4)	0.059 (4)	−0.009 (4)	0.007 (4)	0.013 (3)
N327	0.108 (7)	0.056 (5)	0.063 (5)	−0.004 (4)	0.026 (4)	−0.008 (4)
N328	0.112 (6)	0.058 (4)	0.048 (4)	0.000 (4)	0.022 (4)	−0.016 (3)
C352	0.093 (6)	0.034 (4)	0.037 (3)	0.001 (4)	0.017 (4)	0.003 (3)
N335	0.079 (5)	0.040 (4)	0.100 (6)	0.004 (3)	0.011 (4)	0.001 (4)
N326	0.097 (6)	0.058 (5)	0.075 (5)	0.001 (4)	0.018 (4)	−0.014 (4)
C326	0.086 (6)	0.026 (3)	0.036 (3)	−0.001 (3)	0.012 (3)	−0.001 (3)
N331	0.108 (6)	0.048 (4)	0.060 (4)	−0.011 (4)	0.022 (4)	−0.009 (3)
O2A	0.106 (7)	0.066 (5)	0.066 (5)	0.022 (5)	0.000 (4)	−0.028 (4)
C324	0.085 (5)	0.027 (3)	0.033 (3)	−0.004 (3)	0.012 (3)	−0.002 (3)
C343	0.104 (7)	0.037 (4)	0.037 (4)	0.000 (4)	0.019 (4)	−0.001 (3)
C321	0.087 (6)	0.027 (3)	0.043 (4)	−0.006 (3)	0.019 (4)	−0.003 (3)
O3A	0.081 (5)	0.059 (5)	0.088 (6)	0.002 (4)	0.027 (4)	0.023 (4)
N330	0.097 (6)	0.069 (5)	0.059 (4)	−0.009 (4)	0.022 (4)	−0.009 (4)
C334	0.085 (6)	0.028 (3)	0.043 (4)	0.001 (3)	0.013 (3)	−0.003 (3)
N325	0.097 (6)	0.055 (5)	0.079 (5)	−0.003 (4)	0.013 (4)	−0.012 (4)
C345	0.100 (7)	0.039 (4)	0.041 (4)	0.001 (4)	0.024 (4)	0.000 (3)
C327	0.111 (7)	0.030 (4)	0.038 (4)	−0.004 (4)	0.024 (4)	−0.002 (3)
C362	0.095 (6)	0.030 (4)	0.046 (4)	−0.010 (4)	0.016 (4)	−0.004 (3)
C316	0.083 (6)	0.041 (4)	0.036 (3)	0.008 (4)	0.016 (3)	0.005 (3)
C317	0.095 (7)	0.044 (4)	0.042 (4)	0.005 (4)	0.017 (4)	0.004 (3)
C357	0.105 (7)	0.038 (4)	0.034 (3)	−0.011 (4)	0.016 (4)	−0.004 (3)
C339	0.093 (7)	0.042 (4)	0.045 (4)	0.000 (4)	0.020 (4)	−0.002 (3)
N336	0.185 (10)	0.035 (4)	0.076 (5)	−0.014 (5)	0.073 (6)	−0.005 (4)
C344	0.097 (7)	0.037 (4)	0.029 (3)	0.003 (4)	0.017 (3)	0.003 (3)
C325	0.101 (6)	0.029 (3)	0.035 (3)	−0.005 (4)	0.019 (4)	0.003 (3)
C308	0.077 (6)	0.038 (4)	0.042 (4)	0.008 (4)	0.017 (3)	0.002 (3)
C307	0.080 (6)	0.037 (4)	0.051 (4)	−0.008 (4)	0.012 (4)	0.005 (3)
N301	0.081 (6)	0.048 (4)	0.124 (8)	−0.013 (4)	0.002 (5)	0.005 (5)
C370	0.095 (6)	0.034 (4)	0.053 (4)	−0.003 (4)	0.018 (4)	−0.002 (3)
C329	0.113 (7)	0.034 (4)	0.043 (4)	−0.002 (4)	0.013 (4)	0.001 (3)
C406	0.095 (7)	0.037 (4)	0.062 (5)	−0.005 (4)	0.020 (4)	−0.003 (4)
C333	0.097 (6)	0.034 (4)	0.047 (4)	0.001 (4)	0.020 (4)	0.000 (3)
C320	0.136 (8)	0.033 (4)	0.040 (4)	0.009 (4)	0.036 (4)	0.005 (3)
C361	0.101 (7)	0.033 (4)	0.049 (4)	−0.012 (4)	0.020 (4)	−0.009 (3)
C342	0.101 (7)	0.039 (4)	0.035 (4)	0.002 (4)	0.021 (4)	0.001 (3)
C351	0.099 (7)	0.048 (5)	0.048 (4)	0.000 (4)	0.033 (4)	−0.007 (4)
C318	0.091 (6)	0.038 (4)	0.052 (4)	−0.002 (4)	0.021 (4)	−0.007 (3)
C332	0.099 (7)	0.032 (4)	0.051 (4)	0.001 (4)	0.016 (4)	0.005 (3)
O1A	0.098 (6)	0.064 (5)	0.081 (6)	−0.016 (5)	0.029 (5)	−0.034 (5)
C360	0.096 (6)	0.036 (4)	0.043 (4)	−0.013 (4)	0.020 (4)	−0.008 (3)
C363	0.123 (8)	0.034 (4)	0.044 (4)	−0.015 (4)	0.025 (4)	−0.009 (3)
C350	0.101 (7)	0.051 (5)	0.046 (4)	−0.006 (5)	0.030 (4)	−0.010 (4)
C322	0.118 (7)	0.026 (4)	0.043 (4)	0.005 (4)	0.021 (4)	0.002 (3)
C393	0.094 (7)	0.041 (4)	0.065 (5)	−0.011 (4)	0.027 (5)	−0.011 (4)
C397	0.082 (6)	0.033 (4)	0.067 (5)	−0.006 (4)	0.015 (4)	−0.007 (4)
C306	0.087 (6)	0.049 (5)	0.051 (4)	−0.012 (4)	0.011 (4)	0.002 (4)
C399	0.084 (6)	0.038 (4)	0.070 (5)	0.003 (4)	0.014 (4)	−0.003 (4)
C398	0.092 (6)	0.038 (4)	0.052 (4)	−0.009 (4)	0.020 (4)	−0.006 (3)
C309	0.090 (6)	0.042 (4)	0.045 (4)	−0.002 (4)	0.012 (4)	0.009 (3)
C328	0.116 (7)	0.033 (4)	0.039 (4)	−0.002 (4)	0.021 (4)	−0.002 (3)
C355	0.122 (8)	0.042 (4)	0.045 (4)	−0.004 (5)	0.018 (4)	−0.007 (3)
C359	0.144 (9)	0.034 (4)	0.040 (4)	−0.016 (5)	0.028 (5)	−0.013 (3)
C380	0.103 (8)	0.057 (5)	0.063 (5)	0.004 (5)	0.022 (5)	−0.016 (4)
C319	0.139 (9)	0.034 (4)	0.051 (4)	0.008 (5)	0.042 (5)	0.001 (3)
C396	0.081 (6)	0.041 (4)	0.061 (5)	−0.004 (4)	0.020 (4)	−0.003 (4)
C336	0.117 (8)	0.035 (4)	0.056 (5)	−0.002 (5)	0.000 (5)	−0.011 (4)
C364	0.121 (8)	0.042 (4)	0.047 (4)	−0.012 (5)	0.030 (4)	0.000 (3)
C379	0.124 (9)	0.047 (5)	0.060 (5)	0.000 (5)	0.036 (5)	0.000 (4)
C405	0.116 (8)	0.043 (5)	0.059 (5)	0.000 (5)	0.032 (5)	−0.001 (4)
C323	0.130 (8)	0.040 (4)	0.037 (4)	0.008 (5)	0.025 (4)	0.005 (3)
C348	0.124 (8)	0.048 (5)	0.045 (4)	0.014 (5)	0.027 (5)	−0.003 (4)
C356	0.127 (8)	0.042 (4)	0.042 (4)	−0.001 (5)	0.021 (4)	−0.012 (3)
C335	0.133 (9)	0.045 (5)	0.038 (4)	0.016 (5)	0.009 (4)	−0.003 (3)
C371	0.122 (8)	0.044 (5)	0.055 (5)	−0.006 (5)	0.015 (5)	0.000 (4)
C312	0.113 (8)	0.060 (6)	0.059 (5)	0.017 (5)	0.035 (5)	0.016 (4)
C349	0.108 (8)	0.044 (4)	0.048 (4)	0.007 (5)	0.018 (4)	−0.005 (4)
C388	0.099 (8)	0.065 (6)	0.064 (5)	−0.002 (5)	0.019 (5)	−0.022 (5)
C353	0.115 (9)	0.051 (5)	0.051 (5)	0.018 (5)	0.000 (5)	−0.010 (4)
C381	0.138 (10)	0.060 (6)	0.064 (6)	0.001 (6)	0.042 (6)	−0.010 (5)
N329	0.216 (15)	0.059 (6)	0.100 (8)	−0.005 (8)	0.102 (9)	−0.010 (6)
C378	0.107 (8)	0.054 (5)	0.061 (5)	−0.002 (5)	0.016 (5)	−0.018 (4)
C358	0.143 (9)	0.037 (4)	0.049 (5)	−0.017 (5)	0.028 (5)	−0.006 (3)
C392	0.160 (11)	0.038 (5)	0.072 (6)	0.008 (6)	0.050 (6)	−0.004 (4)
C354	0.088 (7)	0.054 (5)	0.069 (6)	0.009 (5)	0.001 (5)	−0.012 (4)
C372	0.136 (10)	0.052 (5)	0.061 (5)	0.001 (6)	0.019 (6)	0.005 (4)
C375	0.104 (8)	0.061 (6)	0.075 (6)	−0.002 (5)	0.011 (5)	−0.020 (5)
C313	0.104 (8)	0.064 (6)	0.050 (5)	0.008 (5)	0.032 (5)	0.022 (4)
C315	0.081 (6)	0.061 (5)	0.067 (5)	0.006 (5)	0.016 (4)	0.027 (4)
C303	0.099 (8)	0.052 (5)	0.062 (5)	−0.003 (5)	−0.001 (5)	0.007 (4)
C314	0.096 (8)	0.059 (5)	0.062 (5)	0.010 (5)	0.027 (5)	0.023 (4)
C365	0.131 (8)	0.031 (4)	0.052 (5)	−0.003 (4)	0.028 (5)	−0.005 (3)
C395	0.122 (9)	0.046 (5)	0.069 (6)	0.001 (5)	0.028 (5)	−0.003 (4)
C368	0.114 (8)	0.037 (4)	0.071 (6)	−0.006 (5)	0.025 (5)	−0.012 (4)
C404	0.112 (8)	0.038 (4)	0.075 (6)	−0.002 (5)	0.035 (5)	0.005 (4)
C331	0.194 (12)	0.029 (4)	0.043 (4)	0.013 (5)	0.044 (6)	0.003 (3)
C394	0.125 (9)	0.043 (5)	0.062 (5)	0.004 (5)	0.026 (5)	−0.004 (4)
C340	0.098 (8)	0.079 (7)	0.063 (6)	0.010 (6)	0.004 (5)	−0.027 (5)
C369	0.125 (8)	0.037 (4)	0.054 (5)	−0.002 (5)	0.018 (5)	−0.003 (4)
C337	0.101 (8)	0.073 (7)	0.066 (6)	−0.001 (6)	0.016 (5)	−0.023 (5)
C7A	0.067 (7)	0.033 (5)	0.078 (7)	0.004 (5)	0.002 (5)	−0.012 (5)
C330	0.201 (13)	0.040 (5)	0.043 (4)	−0.005 (6)	0.046 (6)	−0.003 (4)
C346	0.101 (8)	0.060 (6)	0.119 (9)	−0.008 (6)	0.022 (7)	−0.037 (6)
C401	0.108 (8)	0.049 (5)	0.094 (8)	0.002 (5)	0.018 (6)	−0.018 (5)
C338	0.097 (8)	0.079 (7)	0.062 (5)	−0.004 (6)	0.018 (5)	−0.025 (5)
C385	0.169 (13)	0.068 (7)	0.061 (6)	0.029 (7)	0.048 (7)	−0.002 (5)
C366	0.265 (18)	0.040 (5)	0.047 (5)	−0.013 (7)	0.058 (7)	−0.003 (4)
C341	0.107 (9)	0.077 (7)	0.071 (6)	−0.001 (6)	0.026 (6)	−0.033 (5)
C403	0.144 (11)	0.046 (5)	0.086 (7)	0.009 (6)	0.037 (7)	−0.002 (5)
C390	0.083 (7)	0.079 (7)	0.101 (8)	−0.004 (6)	0.032 (6)	−0.025 (6)
C389	0.098 (8)	0.081 (7)	0.086 (7)	0.005 (6)	0.031 (6)	−0.025 (6)
C400	0.124 (9)	0.050 (5)	0.075 (6)	0.008 (6)	0.015 (6)	−0.006 (5)
C402	0.141 (10)	0.044 (5)	0.090 (7)	0.000 (6)	0.034 (7)	0.002 (5)
C367	0.258 (17)	0.028 (4)	0.053 (5)	−0.003 (7)	0.060 (7)	−0.001 (4)
C407	0.227 (16)	0.036 (5)	0.071 (6)	0.017 (7)	0.058 (8)	0.006 (4)
C391	0.162 (11)	0.055 (6)	0.070 (6)	0.003 (6)	0.052 (7)	−0.007 (5)
C8A	0.072 (7)	0.047 (6)	0.093 (9)	0.006 (5)	−0.014 (6)	−0.021 (6)
C347	0.138 (12)	0.060 (7)	0.110 (9)	−0.008 (7)	0.037 (8)	−0.043 (6)
C1A	0.121 (10)	0.035 (5)	0.073 (7)	0.010 (6)	0.048 (7)	0.011 (5)
C2A	0.097 (9)	0.054 (7)	0.072 (7)	0.015 (6)	0.045 (6)	0.012 (6)
C3A	0.080 (7)	0.046 (5)	0.054 (5)	0.002 (5)	0.037 (5)	−0.001 (4)
C4A	0.068 (6)	0.036 (5)	0.065 (6)	−0.002 (4)	0.022 (5)	−0.002 (4)
C5A	0.096 (8)	0.036 (5)	0.076 (7)	−0.009 (5)	0.035 (6)	−0.009 (5)
C6A	0.124 (10)	0.039 (6)	0.081 (8)	−0.015 (6)	0.052 (7)	−0.009 (6)
C12A	0.077 (8)	0.041 (6)	0.095 (9)	−0.005 (5)	0.005 (6)	0.012 (6)
C304	0.083 (8)	0.089 (9)	0.167 (13)	−0.020 (7)	−0.008 (8)	0.072 (9)
C383	0.165 (15)	0.089 (10)	0.127 (12)	−0.021 (10)	0.070 (11)	−0.054 (9)
C376	0.102 (10)	0.105 (10)	0.124 (11)	0.001 (8)	0.012 (8)	−0.066 (9)
C305	0.090 (9)	0.101 (10)	0.165 (14)	−0.015 (7)	−0.021 (9)	0.066 (10)
C377	0.105 (10)	0.115 (11)	0.115 (10)	−0.003 (8)	−0.005 (8)	−0.054 (9)
C373	0.109 (10)	0.090 (9)	0.137 (12)	0.015 (8)	0.009 (8)	−0.041 (9)
C311	0.116 (10)	0.104 (10)	0.098 (8)	0.007 (8)	0.029 (7)	0.063 (8)
C384	0.209 (16)	0.069 (8)	0.098 (9)	0.055 (9)	0.087 (10)	0.029 (7)
C11A	0.080 (9)	0.050 (7)	0.146 (13)	−0.010 (6)	−0.013 (9)	0.034 (8)
C408	0.33 (2)	0.043 (6)	0.083 (8)	0.007 (9)	0.099 (11)	0.003 (5)
C310	0.101 (9)	0.124 (11)	0.114 (10)	0.003 (8)	0.030 (7)	0.077 (9)
C9A	0.097 (10)	0.041 (6)	0.118 (11)	0.016 (6)	−0.025 (8)	−0.035 (7)
C10A	0.086 (10)	0.035 (6)	0.164 (15)	−0.001 (6)	−0.030 (10)	−0.002 (8)
C382	0.175 (14)	0.076 (8)	0.137 (12)	−0.027 (9)	0.075 (11)	−0.057 (8)
C301	0.097 (10)	0.125 (12)	0.162 (15)	−0.019 (9)	−0.011 (9)	0.073 (11)
C374	0.101 (10)	0.110 (10)	0.125 (11)	−0.001 (8)	0.005 (8)	−0.061 (9)
C302	0.088 (9)	0.137 (13)	0.133 (11)	−0.035 (8)	−0.003 (8)	0.067 (10)
C14A	0.093 (10)	0.107 (12)	0.111 (12)	0.020 (9)	0.013 (8)	−0.068 (10)
C13A	0.105 (10)	0.050 (7)	0.107 (10)	−0.023 (7)	0.002 (8)	0.006 (7)
C387	0.099 (10)	0.166 (15)	0.174 (15)	−0.021 (9)	0.038 (9)	−0.122 (13)
C386	0.101 (10)	0.172 (16)	0.160 (14)	−0.028 (10)	0.036 (9)	−0.122 (13)
I405	0.381 (10)	0.0372 (17)	0.082 (3)	0.048 (3)	0.115 (4)	0.0212 (15)
Zn43	0.215 (12)	0.031 (5)	0.035 (3)	−0.018 (4)	0.067 (5)	−0.014 (3)
I406	0.190 (5)	0.103 (3)	0.085 (2)	−0.087 (3)	0.096 (3)	−0.066 (2)
I403	0.311 (11)	0.0305 (18)	0.053 (2)	0.004 (3)	0.051 (3)	−0.0004 (13)
Zn42	0.141 (7)	0.041 (3)	0.036 (6)	0.021 (3)	0.020 (4)	0.000 (3)
I404	0.141 (5)	0.128 (6)	0.077 (3)	0.032 (3)	0.020 (2)	−0.032 (3)
I409	0.225 (7)	0.0404 (14)	0.054 (2)	−0.004 (3)	0.005 (4)	0.0097 (13)
Zn45	0.174 (11)	0.048 (5)	0.056 (5)	−0.014 (5)	0.026 (6)	−0.002 (3)
I410	0.134 (5)	0.137 (6)	0.129 (5)	−0.052 (4)	0.007 (4)	0.005 (4)
Zn41	0.091 (4)	0.031 (3)	0.154 (9)	0.003 (2)	0.002 (5)	−0.004 (6)
I402	0.172 (4)	0.091 (3)	0.298 (8)	−0.032 (2)	0.148 (4)	−0.087 (4)
I401	0.098 (3)	0.050 (2)	0.219 (7)	−0.0064 (17)	−0.026 (4)	0.048 (3)
I415	0.252 (18)	0.052 (3)	0.075 (5)	0.007 (6)	0.072 (7)	0.008 (3)
Zn48	0.164 (17)	0.055 (8)	0.047 (8)	−0.007 (7)	0.045 (8)	0.004 (5)
I416	0.182 (13)	0.109 (9)	0.116 (7)	−0.035 (5)	0.073 (8)	−0.005 (5)
I418	0.444 (15)	0.114 (5)	0.435 (14)	0.146 (7)	0.367 (13)	0.175 (7)
Zn49	0.33 (2)	0.035 (3)	0.155 (12)	−0.019 (10)	0.192 (11)	−0.001 (7)
I417	0.654 (19)	0.152 (6)	0.071 (2)	−0.246 (9)	0.119 (6)	−0.057 (3)
I411	0.246 (15)	0.037 (4)	0.163 (11)	−0.011 (5)	0.065 (9)	0.021 (5)
Zn46	0.186 (16)	0.045 (6)	0.050 (5)	−0.052 (6)	0.064 (7)	−0.017 (4)
I412	0.194 (12)	0.052 (4)	0.047 (2)	−0.014 (6)	0.013 (5)	−0.007 (2)
I308	0.1011 (13)	0.0444 (8)	0.0769 (12)	0.0024 (7)	−0.0060 (7)	−0.0301 (6)
Zn34	0.099 (4)	0.030 (2)	0.140 (4)	−0.006 (2)	0.000 (2)	−0.007 (2)
I307	0.1016 (11)	0.0301 (7)	0.0865 (13)	−0.0080 (6)	0.0351 (6)	−0.0023 (5)
I413	0.123 (5)	0.050 (3)	0.264 (10)	0.015 (3)	−0.055 (6)	−0.049 (5)
Zn47	0.113 (10)	0.051 (6)	0.31 (2)	−0.016 (6)	−0.022 (11)	0.026 (10)
I414	0.162 (7)	0.153 (8)	0.407 (18)	0.005 (6)	0.092 (10)	0.129 (10)
C15A	0.164 (17)	0.112 (14)	0.154 (16)	0.031 (12)	0.106 (14)	0.069 (13)
C4B	0.111 (13)	0.095 (12)	0.028 (11)	0.023 (10)	0.045 (11)	0.019 (10)
C3B	0.112 (16)	0.100 (14)	0.055 (16)	0.026 (13)	0.036 (15)	0.025 (14)
C5B	0.111 (13)	0.110 (15)	0.038 (12)	0.016 (11)	0.042 (12)	0.017 (13)
O2B	0.112 (19)	0.107 (18)	0.072 (13)	0.038 (15)	0.008 (12)	0.009 (13)
C6B	0.124 (18)	0.117 (16)	0.032 (13)	0.009 (12)	0.021 (15)	0.013 (15)
C2B	0.136 (19)	0.100 (14)	0.066 (18)	0.024 (16)	0.042 (17)	0.012 (17)
C7B	0.108 (18)	0.097 (13)	0.089 (15)	0.025 (12)	0.023 (13)	0.020 (11)
C12B	0.14 (2)	0.095 (18)	0.132 (18)	0.011 (16)	0.051 (17)	0.021 (14)
C11B	0.12 (2)	0.106 (19)	0.14 (2)	0.007 (17)	0.01 (2)	0.021 (17)
C10B	0.10 (2)	0.11 (2)	0.14 (2)	0.010 (19)	−0.01 (2)	0.016 (16)
C9B	0.10 (2)	0.104 (18)	0.12 (2)	0.018 (16)	−0.021 (17)	0.011 (15)
C8B	0.10 (2)	0.099 (16)	0.088 (15)	0.019 (15)	0.000 (13)	0.007 (12)
C1B	0.15 (2)	0.105 (17)	0.055 (17)	0.009 (15)	0.025 (17)	−0.001 (17)
C13B	0.12 (2)	0.122 (19)	0.10 (2)	0.024 (17)	0.047 (16)	0.02 (2)
O3B	0.20 (3)	0.11 (2)	0.15 (2)	−0.01 (2)	0.10 (2)	0.012 (16)
O1B	0.16 (3)	0.14 (3)	0.12 (2)	0.05 (2)	0.014 (19)	0.00 (2)
C14B	0.13 (4)	0.15 (4)	0.080 (16)	0.04 (3)	−0.002 (19)	−0.01 (2)
C15B	0.23 (6)	0.15 (5)	0.18 (3)	−0.03 (5)	0.13 (4)	0.02 (3)
C809	0.078 (19)	0.12 (2)	0.045 (14)	0.007 (16)	0.014 (12)	−0.013 (15)
C810	0.077 (19)	0.10 (2)	0.047 (14)	0.003 (16)	0.020 (12)	0.000 (12)
C811	0.09 (2)	0.13 (2)	0.059 (16)	0.017 (17)	0.038 (13)	0.019 (14)
C812	0.08 (2)	0.17 (3)	0.062 (17)	0.016 (19)	0.018 (13)	0.047 (18)
C807	0.10 (2)	0.17 (3)	0.08 (2)	−0.01 (2)	−0.019 (17)	0.003 (17)
C808	0.10 (2)	0.14 (2)	0.062 (18)	−0.010 (19)	0.006 (15)	−0.016 (16)
C813	0.07 (2)	0.15 (4)	0.15 (4)	0.01 (2)	0.02 (2)	−0.03 (3)
C818	0.07 (2)	0.14 (3)	0.15 (4)	0.00 (2)	0.01 (2)	−0.02 (3)
C817	0.05 (2)	0.13 (3)	0.15 (4)	−0.01 (2)	0.02 (2)	−0.02 (3)
C816	0.08 (2)	0.12 (4)	0.15 (4)	−0.02 (2)	0.03 (2)	−0.03 (3)
C815	0.08 (2)	0.15 (4)	0.15 (4)	0.00 (3)	0.04 (2)	−0.03 (3)
C814	0.08 (3)	0.16 (4)	0.14 (4)	0.00 (2)	0.02 (2)	−0.04 (3)
C819	0.08 (3)	0.16 (4)	0.14 (3)	0.02 (3)	0.05 (2)	0.03 (3)
C824	0.08 (3)	0.17 (4)	0.11 (3)	0.04 (3)	0.02 (2)	0.03 (3)
C823	0.10 (3)	0.17 (4)	0.11 (3)	0.02 (3)	0.02 (2)	0.04 (3)
C822	0.10 (3)	0.16 (4)	0.11 (3)	0.00 (3)	0.02 (2)	0.02 (3)
C821	0.07 (3)	0.16 (4)	0.15 (3)	−0.01 (3)	0.05 (2)	0.02 (3)
C820	0.09 (3)	0.17 (4)	0.15 (3)	−0.01 (3)	0.05 (2)	0.02 (3)
C804	0.11 (2)	0.31 (5)	0.044 (17)	0.06 (3)	0.018 (17)	0.05 (2)
C803	0.09 (2)	0.30 (5)	0.055 (18)	0.06 (2)	0.025 (15)	0.06 (2)
C802	0.06 (2)	0.30 (5)	0.09 (2)	0.06 (3)	0.029 (17)	0.06 (2)
C801	0.09 (2)	0.32 (5)	0.09 (2)	0.04 (3)	0.057 (18)	0.05 (2)
C806	0.10 (2)	0.33 (5)	0.07 (2)	0.04 (3)	0.039 (17)	0.03 (2)
C805	0.12 (3)	0.33 (5)	0.07 (2)	0.04 (3)	0.019 (18)	0.04 (2)

Geometric parameters (Å, º)

I309—Zn35	2.539 (5)	C395—H395	0.9500
I313—Zn37	2.537 (3)	C395—C394	1.363 (13)
I306—Zn33	2.553 (6)	C368—H368	0.9500
I407—Zn44	2.512 (8)	C368—C369	1.394 (12)
I408—Zn44	2.468 (8)	C404—H404	0.9500
I312—Zn36	2.532 (5)	C331—H331	0.9500
I305—Zn33	2.555 (5)	C331—C330	1.379 (12)
I314—Zn37	2.544 (3)	C394—H394	0.9500
I310—Zn35	2.524 (5)	C340—H340	0.9500
I311—Zn36	2.526 (4)	C340—C341	1.410 (16)
I303—Zn32	2.526 (7)	C369—H369	0.9500
I315—Zn38	2.538 (5)	C337—H337	0.9500
I316—Zn38	2.538 (4)	C337—C338	1.371 (15)
I304—Zn32	2.547 (8)	C7A—C8A	1.384 (11)
I301—Zn31	2.552 (8)	C7A—C4A	1.498 (10)
I302—Zn31	2.539 (6)	C7A—C12A	1.389 (12)
I317—Zn39	2.515 (6)	C330—H330	0.9500
Zn33—N306	2.049 (8)	C346—H346	0.9500
Zn33—N307	2.056 (7)	C346—C347	1.415 (15)
Zn35—N318	2.056 (8)	C401—H401	0.9500
Zn35—N319	2.090 (8)	C401—C400	1.407 (14)
Zn44—N312	2.113 (9)	C401—Zn51^vii	2.56 (4)
Zn44—N313	2.011 (11)	C401—Zn61^vii	2.56 (7)
Zn32—N311^i	2.010 (16)	C338—H338	0.9500
Zn32—N305	2.078 (10)	C385—H385	0.9500
Zn36—N323	2.078 (8)	C385—C384	1.390 (15)
Zn36—N317^ii	2.129 (9)	C366—H366	0.9500
Zn38—N331	2.058 (9)	C366—C367	1.372 (13)
Zn38—N330	2.053 (9)	C366—Zn56	2.59 (8)
I318—Zn39	2.516 (7)	C341—H341	0.9500
Zn37—N324	2.086 (7)	C403—H403	0.9500
Zn37—N325	2.069 (10)	C403—C402	1.391 (14)
Zn31—N335^iii	2.125 (13)	C390—H390	0.9500
Zn31—N301	2.073 (11)	C390—C389	1.360 (16)
Zn39—N336	2.100 (9)	C389—H389	0.9500
Zn39—N329^iv	2.120 (13)	C400—H400	0.9500
N308—C326	1.357 (9)	C402—H402	0.9500
N308—C324	1.331 (9)	C367—H367	0.9500
N316—C343	1.366 (11)	C407—H407	0.9500
N316—C344	1.341 (10)	C407—C408	1.379 (15)
N310—C326	1.317 (9)	C391—H391	0.9500
N310—C325	1.337 (9)	C8A—C9A	1.389 (11)
N309—C324	1.320 (9)	C347—H347	0.9500
N309—C325	1.342 (9)	C1A—H1A	0.9500
N304—C308	1.331 (10)	C1A—C2A	1.3900
N304—C307	1.355 (10)	C1A—C6A	1.3900
N315—C343	1.304 (12)	C2A—H2A	0.9500
N315—C342	1.346 (10)	C2A—C3A	1.3900
N320—C362	1.348 (10)	C3A—H3A	0.9500
N320—C360	1.316 (10)	C3A—C4A	1.3900
N312—C332	1.318 (10)	C4A—C5A	1.3900
N312—C336	1.339 (11)	C5A—C6A	1.3900
N312—Zn34	2.066 (7)	C5A—C13A	1.499 (8)
N306—C318	1.345 (11)	C6A—H6A	0.9500
N306—C314	1.345 (13)	C12A—C11A	1.391 (11)
N306—Zn43	2.085 (11)	C304—H304	0.9500
N306—Zn53	2.36 (11)	C304—C305	1.347 (17)
N314—C344	1.322 (11)	C383—H383	0.9500
N314—C342	1.320 (11)	C383—C382	1.424 (19)
N311—C329	1.326 (11)	C383—Zn59^viii	2.55 (7)
N311—C330	1.317 (12)	C376—H376	0.9500
N311—Zn42^v	2.17 (2)	C376—C377	1.357 (18)
N311—Zn52^v	2.05 (4)	C305—H305	0.9500
N318—C350	1.315 (12)	C377—H377	0.9500
N318—C354	1.334 (12)	C373—H373	0.9500
N318—Zn45	2.096 (14)	C373—C374	1.403 (19)
N307—C319	1.354 (10)	C311—H311	0.9500
N307—C323	1.340 (11)	C311—C310	1.355 (16)
N307—Zn43	2.088 (8)	C384—H384	0.9500
N307—Zn53	2.17 (9)	C11A—H11A	0.9500
N313—C337	1.346 (13)	C11A—C10A	1.363 (13)
N313—C341	1.321 (12)	C408—H408	0.9500
N313—Zn34	2.067 (10)	C310—H310	0.9500
N321—C361	1.341 (10)	C9A—H9A	0.9500
N321—C360	1.350 (10)	C9A—C10A	1.374 (13)
N324—C372	1.355 (12)	C10A—H10A	0.9500
N324—C368	1.321 (12)	C382—H382	0.9500
N324—Zn47	2.097 (13)	C301—H301	0.9500
N332—C398	1.323 (11)	C301—C302	1.410 (18)
N332—C396	1.357 (11)	C374—H374	0.9500
N305—C312	1.317 (11)	C302—H302	0.9500
N305—C311	1.340 (15)	C14A—H14A	0.9800
N305—Zn42	2.055 (14)	C14A—H14B	0.9800
N305—Zn52	2.06 (4)	C14A—H14C	0.9800
N322—C362	1.321 (10)	C13A—H13A	0.9900
N322—C361	1.325 (11)	C13A—H13B	0.9900
N319—C355	1.371 (11)	C387—H387	0.9500
N319—C359	1.309 (11)	C387—C386	1.368 (18)
N319—Zn45	2.033 (13)	C386—H386	0.9500
N333—C397	1.330 (11)	I405—Zn43	2.527 (10)
N333—C396	1.325 (11)	Zn43—I406	2.511 (10)
N302—C308	1.314 (11)	I403—Zn42	2.517 (12)
N302—C306	1.342 (11)	Zn42—I404	2.524 (12)
N323—C365	1.326 (11)	I409—Zn45	2.560 (12)
N323—C366	1.310 (12)	Zn45—I410	2.537 (12)
N323—Zn46	2.117 (15)	Zn41—I402	2.535 (10)
N323—Zn56	1.66 (7)	Zn41—I401	2.531 (9)
N317—C348	1.309 (13)	I415—Zn48	2.536 (14)
N317—C347	1.299 (16)	Zn48—I416	2.513 (14)
N317—Zn46^vi	1.86 (2)	I418—Zn49	2.500 (12)
N317—Zn56^vi	2.09 (8)	Zn49—I417	2.530 (12)
N334—C397	1.337 (11)	I411—Zn46	2.563 (15)
N334—C398	1.321 (11)	Zn46—I412	2.549 (15)
N303—C307	1.325 (12)	I308—Zn34	2.544 (5)
N303—C306	1.345 (12)	Zn34—I307	2.525 (5)
N327—C379	1.327 (14)	I503—Zn52	2.524 (16)
N327—C378	1.331 (12)	I504—Zn52	2.538 (17)
N328—C380	1.326 (12)	I518—Zn59	2.51 (4)
N328—C379	1.340 (14)	I519—Zn59	2.51 (4)
C352—C344	1.494 (12)	I505—Zn53	2.53 (11)
C352—C351	1.392 (11)	I506—Zn53	2.69 (10)
C352—C353	1.360 (14)	I501—Zn51	2.43 (4)
N335—C401	1.317 (14)	I17—Zn51	2.67 (4)
N335—C402	1.331 (14)	I413—Zn47	2.524 (13)
N335—Zn41^vii	2.054 (14)	Zn47—I414	2.546 (15)
N335—Zn51^vii	2.13 (4)	I511—Zn56	2.57 (5)
N335—Zn61^vii	2.53 (7)	I512—Zn56	2.56 (5)
N326—C380	1.342 (14)	I602—Zn61	2.95 (8)
N326—C378	1.328 (13)	I601—Zn61	2.30 (8)
C326—C334	1.495 (10)	C15A—H15A	0.9800
N331—C395	1.349 (12)	C15A—H15B	0.9800
N331—C391	1.317 (13)	C15A—H15C	0.9800
N331—Zn48	2.037 (15)	C4B—C3B	1.374 (18)
O2A—C8A	1.377 (16)	C4B—C5B	1.378 (18)
O2A—C14A	1.448 (12)	C4B—C7B	1.484 (18)
C324—C321	1.495 (10)	C3B—H3B	0.9500
C343—C345	1.492 (11)	C3B—C2B	1.379 (19)
C321—C320	1.379 (11)	C5B—C6B	1.381 (18)
C321—C322	1.383 (10)	C5B—C13B	1.509 (19)
O3A—C12A	1.383 (15)	O2B—C8B	1.378 (19)
O3A—C15A	1.426 (13)	O2B—C14B	1.43 (2)
N330—C390	1.336 (13)	C6B—H6B	0.9500
N330—C386	1.339 (16)	C6B—C1B	1.372 (18)
N330—Zn48	2.040 (16)	C2B—H2B	0.9500
C334—C333	1.399 (11)	C2B—C1B	1.380 (18)
C334—C335	1.367 (11)	C7B—C12B	1.3900
N325—C377	1.329 (16)	C7B—C8B	1.3900
N325—C373	1.293 (15)	C12B—C11B	1.3900
N325—Zn47	2.054 (15)	C12B—O3B	1.371 (19)
C345—C349	1.346 (14)	C11B—H11B	0.9500
C345—C346	1.380 (14)	C11B—C10B	1.3900
C327—C325	1.481 (10)	C10B—H10B	0.9500
C327—C328	1.361 (11)	C10B—C9B	1.3900
C327—C331	1.384 (11)	C9B—H9B	0.9500
C362—C370	1.482 (11)	C9B—C8B	1.3900
C316—C317	1.372 (13)	C1B—H1B	0.9500
C316—C308	1.474 (11)	C13B—H13C	0.9900
C316—C315	1.393 (12)	C13B—H13D	0.9900
C317—H317	0.9500	C13B—O1B	1.41 (2)
C317—C318	1.374 (12)	O3B—C15B	1.43 (2)
C357—C360	1.502 (10)	O1B—H1BA	0.8400
C357—C356	1.375 (12)	C14B—H14D	0.9800
C357—C358	1.402 (12)	C14B—H14E	0.9800
C339—C342	1.470 (13)	C14B—H14F	0.9800
C339—C340	1.376 (13)	C15B—H15D	0.9800
C339—C338	1.396 (13)	C15B—H15E	0.9800
N336—C404	1.325 (12)	C15B—H15F	0.9800
N336—C408	1.324 (14)	C809—H2C	0.9900
N336—Zn49	2.056 (11)	C809—H2D	0.9900
N336—Zn59	2.17 (8)	C809—C810	1.536 (13)
C307—C309	1.472 (12)	C809—C808	1.540 (13)
N301—C305	1.335 (16)	C810—H3C	0.9900
N301—C301	1.304 (16)	C810—H3D	0.9900
N301—Zn41	2.059 (13)	C810—C811	1.539 (13)
N301—Zn51	2.15 (4)	C811—H7A	0.9900
N301—Zn61	2.63 (7)	C811—H7B	0.9900
C370—C371	1.399 (12)	C811—C812	1.545 (13)
C370—C369	1.367 (12)	C812—H8A	0.9900
C329—H329	0.9500	C812—H8B	0.9900
C329—C328	1.384 (11)	C812—C807	1.538 (13)
C406—C398	1.479 (12)	C807—H9C	0.9900
C406—C405	1.366 (12)	C807—H9D	0.9900
C406—C407	1.370 (13)	C807—C808	1.540 (13)
C333—H333	0.9500	C808—H10C	0.9900
C333—C332	1.381 (11)	C808—H10D	0.9900
C320—H320	0.9500	C829—H11C	0.9900
C320—C319	1.399 (11)	C829—H11D	0.9900
C361—C363	1.476 (11)	C829—C828	1.526 (13)
C351—H351	0.9500	C829—C830	1.533 (13)
C351—C350	1.360 (13)	C828—H15G	0.9900
C318—H318	0.9500	C828—H15H	0.9900
C332—H332	0.9500	C828—C827	1.521 (13)
O1A—H1AA	0.8400	C827—H17A	0.9900
O1A—C13A	1.414 (8)	C827—H17B	0.9900
C363—C364	1.366 (12)	C827—C826	1.525 (12)
C363—C367	1.377 (12)	C826—H19A	0.9900
C350—H350	0.9500	C826—H19B	0.9900
C322—H322	0.9500	C826—C825	1.526 (13)
C322—C323	1.370 (11)	C825—H13E	0.9900
C393—C396	1.477 (12)	C825—H13F	0.9900
C393—C392	1.395 (12)	C825—C830	1.530 (13)
C393—C394	1.358 (13)	C830—H22A	0.9900
C397—C399	1.490 (11)	C830—H22B	0.9900
C306—C303	1.451 (14)	C813—H4A	0.9900
C399—C403	1.391 (14)	C813—H4B	0.9900
C399—C400	1.375 (13)	C813—C818	1.541 (13)
C309—C313	1.340 (13)	C813—C814	1.536 (13)
C309—C310	1.415 (13)	C818—H5A	0.9900
C328—H328	0.9500	C818—H5B	0.9900
C355—H355	0.9500	C818—C817	1.542 (13)
C355—C356	1.365 (12)	C817—H6C	0.9900
C359—H359	0.9500	C817—H6D	0.9900
C359—C358	1.370 (12)	C817—C816	1.543 (13)
C380—C388	1.469 (14)	C816—H12A	0.9900
C319—H319	0.9500	C816—H12B	0.9900
C336—H336	0.9500	C816—C815	1.543 (13)
C336—C335	1.356 (12)	C815—H14G	0.9900
C364—H364	0.9500	C815—H14H	0.9900
C364—C365	1.391 (12)	C815—C814	1.539 (13)
C379—C381	1.477 (14)	C814—H16A	0.9900
C405—H405	0.9500	C814—H16B	0.9900
C405—C404	1.388 (13)	C819—H18A	0.9900
C323—H323	0.9500	C819—H18B	0.9900
C348—H348	0.9500	C819—C824	1.528 (13)
C348—C349	1.404 (12)	C819—C820	1.533 (13)
C356—H356	0.9500	C824—H1CA	0.9900
C335—H335	0.9500	C824—H1CB	0.9900
C371—H371	0.9500	C824—C823	1.533 (13)
C371—C372	1.381 (13)	C823—H1DA	0.9900
C312—H312	0.9500	C823—H1DB	0.9900
C312—C313	1.382 (13)	C823—C822	1.539 (13)
C349—H349	0.9500	C822—H1EA	0.9900
C388—C389	1.366 (15)	C822—H1EB	0.9900
C388—C387	1.391 (15)	C822—C821	1.536 (13)
C353—H353	0.9500	C821—H1FA	0.9900
C353—C354	1.369 (13)	C821—H1FB	0.9900
C381—C385	1.382 (18)	C821—C820	1.539 (13)
C381—C382	1.388 (18)	C820—H1GA	0.9900
N329—C383	1.35 (2)	C820—H1GB	0.9900
N329—C384	1.29 (2)	C804—H1HA	0.9900
N329—Zn49^viii	2.068 (13)	C804—H1HB	0.9900
N329—Zn59^viii	2.23 (7)	C804—C803	1.526 (13)
C378—C375	1.476 (16)	C804—C805	1.526 (13)
C358—H358	0.9500	C803—H1IA	0.9900
C392—H392	0.9500	C803—H1IB	0.9900
C392—C391	1.383 (14)	C803—C802	1.537 (13)
C354—H354	0.9500	C802—H1JA	0.9900
C372—H372	0.9500	C802—H1JB	0.9900
C375—C376	1.362 (16)	C802—C801	1.532 (13)
C375—C374	1.410 (16)	C801—H1KA	0.9900
C313—H313	0.9500	C801—H1KB	0.9900
C315—H315	0.9500	C801—C806	1.529 (13)
C315—C314	1.365 (13)	C806—H1LA	0.9900
C303—C304	1.356 (15)	C806—H1LB	0.9900
C303—C302	1.369 (15)	C806—C805	1.522 (13)
C314—H314	0.9500	C805—H1MA	0.9900
C365—H365	0.9500	C805—H1MB	0.9900
I306—Zn33—I305	126.4 (2)	N330—C390—C389	122.6 (11)
N306—Zn33—I306	109.7 (3)	C389—C390—H390	118.7
N306—Zn33—I305	105.9 (3)	C388—C389—H389	119.4
N306—Zn33—N307	101.9 (3)	C390—C389—C388	121.2 (10)
N307—Zn33—I306	102.9 (3)	C390—C389—H389	119.4
N307—Zn33—I305	107.5 (3)	C399—C400—C401	118.6 (10)
I310—Zn35—I309	125.3 (2)	C399—C400—H400	120.7
N318—Zn35—I309	107.1 (3)	C401—C400—H400	120.7
N318—Zn35—I310	106.4 (3)	N335—C402—C403	121.0 (11)
N318—Zn35—N319	101.2 (3)	N335—C402—H402	119.5
N319—Zn35—I309	107.9 (3)	C403—C402—H402	119.5
N319—Zn35—I310	106.4 (3)	C363—C367—H367	121.0
I408—Zn44—I407	120.3 (4)	C366—C367—C363	118.0 (8)
N312—Zn44—I407	103.8 (3)	C366—C367—H367	121.0
N312—Zn44—I408	106.7 (4)	C406—C407—H407	120.6
N313—Zn44—I407	113.7 (4)	C406—C407—C408	118.7 (10)
N313—Zn44—I408	108.1 (4)	C408—C407—H407	120.6
N313—Zn44—N312	102.3 (4)	N331—C391—C392	123.6 (9)
I303—Zn32—I304	123.4 (6)	N331—C391—H391	118.2
N311^i—Zn32—I303	110.2 (5)	C392—C391—H391	118.2
N311^i—Zn32—I304	105.3 (5)	O2A—C8A—C7A	115.1 (9)
N311^i—Zn32—N305	103.4 (6)	O2A—C8A—C9A	123.5 (10)
N305—Zn32—I303	106.5 (4)	C7A—C8A—C9A	121.4 (11)
N305—Zn32—I304	106.4 (5)	N317—C347—C346	125.0 (11)
I311—Zn36—I312	128.1 (2)	N317—C347—H347	117.5
N323—Zn36—I312	105.0 (3)	C346—C347—H347	117.5
N323—Zn36—I311	110.5 (3)	C2A—C1A—H1A	120.0
N323—Zn36—N317^ii	97.6 (3)	C2A—C1A—C6A	120.0
N317^ii—Zn36—I312	107.5 (3)	C6A—C1A—H1A	120.0
N317^ii—Zn36—I311	104.1 (3)	C1A—C2A—H2A	120.0
I316—Zn38—I315	125.1 (2)	C1A—C2A—C3A	120.0
N331—Zn38—I315	108.2 (3)	C3A—C2A—H2A	120.0
N331—Zn38—I316	106.0 (3)	C2A—C3A—H3A	120.0
N330—Zn38—I315	105.5 (3)	C4A—C3A—C2A	120.0
N330—Zn38—I316	107.6 (3)	C4A—C3A—H3A	120.0
N330—Zn38—N331	102.3 (4)	C3A—C4A—C7A	118.4 (6)
I313—Zn37—I314	120.98 (13)	C5A—C4A—C7A	121.6 (6)
N324—Zn37—I313	110.9 (2)	C5A—C4A—C3A	120.0
N324—Zn37—I314	106.4 (2)	C4A—C5A—C6A	120.0
N325—Zn37—I313	106.0 (2)	C4A—C5A—C13A	119.0 (6)
N325—Zn37—I314	108.7 (3)	C6A—C5A—C13A	121.0 (6)
N325—Zn37—N324	102.3 (4)	C1A—C6A—H6A	120.0
I302—Zn31—I301	119.8 (3)	C5A—C6A—C1A	120.0
N335^iii—Zn31—I301	109.1 (4)	C5A—C6A—H6A	120.0
N335^iii—Zn31—I302	108.7 (4)	O3A—C12A—C7A	115.5 (8)
N301—Zn31—I301	102.8 (4)	O3A—C12A—C11A	124.0 (10)
N301—Zn31—I302	114.8 (5)	C7A—C12A—C11A	120.5 (10)
N301—Zn31—N335^iii	99.7 (5)	C303—C304—H304	119.1
I317—Zn39—I318	127.3 (3)	C305—C304—C303	121.8 (12)
N336—Zn39—I317	108.2 (4)	C305—C304—H304	119.1
N336—Zn39—I318	106.4 (4)	N329—C383—H383	119.0
N336—Zn39—N329^iv	96.3 (4)	N329—C383—C382	122.1 (15)
N329^iv—Zn39—I317	112.9 (5)	N329—C383—Zn59^viii	61.0 (10)
N329^iv—Zn39—I318	101.2 (5)	C382—C383—H383	119.0
C324—N308—C326	113.7 (6)	C382—C383—Zn59^viii	173.7 (19)
C344—N316—C343	113.0 (8)	C375—C376—H376	120.3
C326—N310—C325	115.6 (6)	C377—C376—C375	119.4 (12)
C324—N309—C325	114.8 (6)	C377—C376—H376	120.3
C308—N304—C307	114.0 (8)	N301—C305—C304	123.2 (12)
C343—N315—C342	114.3 (8)	N301—C305—H305	118.4
C360—N320—C362	114.2 (6)	C304—C305—H305	118.4
C332—N312—Zn44	121.7 (5)	N325—C377—C376	124.6 (11)
C332—N312—C336	118.0 (7)	N325—C377—H377	117.7
C332—N312—Zn34	121.5 (5)	C376—C377—H377	117.7
C336—N312—Zn44	120.3 (5)	N325—C373—H373	118.8
C336—N312—Zn34	120.5 (5)	N325—C373—C374	122.3 (12)
C318—N306—Zn33	124.2 (7)	C374—C373—H373	118.8
C318—N306—C314	117.5 (7)	N305—C311—H311	118.7
C318—N306—Zn43	122.2 (7)	N305—C311—C310	122.6 (10)
C318—N306—Zn53	111 (2)	C310—C311—H311	118.7
C314—N306—Zn33	117.9 (6)	N329—C384—C385	123.6 (16)
C314—N306—Zn43	120.0 (6)	N329—C384—H384	118.2
C314—N306—Zn53	131 (2)	C385—C384—H384	118.2
C342—N314—C344	115.1 (7)	C12A—C11A—H11A	120.0
Zn32^v—N311—Zn42^v	6.0 (6)	C10A—C11A—C12A	119.9 (11)
Zn32^v—N311—Zn52^v	17.3 (6)	C10A—C11A—H11A	120.0
C329—N311—Zn32^v	120.9 (6)	N336—C408—C407	123.8 (10)
C329—N311—Zn42^v	125.7 (6)	N336—C408—H408	118.1
C329—N311—Zn52^v	108.7 (10)	C407—C408—H408	118.1
C330—N311—Zn32^v	121.5 (6)	C309—C310—H310	120.6
C330—N311—C329	117.5 (7)	C311—C310—C309	118.9 (12)
C330—N311—Zn42^v	116.4 (7)	C311—C310—H310	120.6
C330—N311—Zn52^v	132.8 (11)	C8A—C9A—H9A	120.5
C350—N318—Zn35	119.5 (6)	C10A—C9A—C8A	119.0 (11)
C350—N318—C354	117.0 (8)	C10A—C9A—H9A	120.5
C350—N318—Zn45	125.7 (7)	C11A—C10A—C9A	120.9 (10)
C354—N318—Zn35	123.5 (7)	C11A—C10A—H10A	119.5
C354—N318—Zn45	117.1 (8)	C9A—C10A—H10A	119.5
C319—N307—Zn33	119.4 (5)	C381—C382—C383	117.7 (17)
C319—N307—Zn43	119.6 (6)	C381—C382—H382	121.2
C319—N307—Zn53	121 (3)	C383—C382—H382	121.2
C323—N307—Zn33	122.1 (5)	N301—C301—H301	119.5
C323—N307—C319	118.4 (6)	N301—C301—C302	121.0 (13)
C323—N307—Zn43	121.7 (5)	C302—C301—H301	119.5
C323—N307—Zn53	117 (3)	C375—C374—H374	120.5
C337—N313—Zn44	122.6 (7)	C373—C374—C375	119.0 (11)
C337—N313—Zn34	123.5 (7)	C373—C374—H374	120.5
C341—N313—Zn44	119.9 (7)	C303—C302—C301	121.3 (12)
C341—N313—C337	117.5 (9)	C303—C302—H302	119.3
C341—N313—Zn34	119.0 (7)	C301—C302—H302	119.3
C361—N321—C360	114.1 (7)	O2A—C14A—H14A	109.5
C372—N324—Zn37	116.7 (6)	O2A—C14A—H14B	109.5
C372—N324—Zn47	127.8 (7)	O2A—C14A—H14C	109.5
C368—N324—Zn37	124.9 (6)	H14A—C14A—H14B	109.5
C368—N324—C372	118.3 (8)	H14A—C14A—H14C	109.5
C368—N324—Zn47	113.8 (7)	H14B—C14A—H14C	109.5
C398—N332—C396	114.5 (7)	O1A—C13A—C5A	113.9 (8)
C312—N305—Zn32	124.5 (8)	O1A—C13A—H13A	108.8
C312—N305—C311	118.7 (8)	O1A—C13A—H13B	108.8
C312—N305—Zn42	117.2 (9)	C5A—C13A—H13A	108.8
C312—N305—Zn52	140.9 (9)	C5A—C13A—H13B	108.8
C311—N305—Zn32	116.5 (7)	H13A—C13A—H13B	107.7
C311—N305—Zn42	123.9 (8)	C388—C387—H387	119.9
C311—N305—Zn52	100.4 (8)	C386—C387—C388	120.2 (13)
C362—N322—C361	115.7 (7)	C386—C387—H387	119.9
C355—N319—Zn35	120.4 (6)	N330—C386—C387	122.4 (12)
C355—N319—Zn45	124.7 (7)	N330—C386—H386	118.8
C359—N319—Zn35	122.3 (6)	C387—C386—H386	118.8
C359—N319—C355	117.2 (7)	N306—Zn43—N307	99.6 (4)
C359—N319—Zn45	117.8 (7)	N306—Zn43—I405	109.8 (5)
C396—N333—C397	114.1 (7)	N306—Zn43—I406	107.7 (4)
C308—N302—C306	116.4 (7)	N307—Zn43—I405	108.1 (4)
C365—N323—Zn36	122.4 (6)	N307—Zn43—I406	106.8 (5)
C365—N323—Zn46	126.8 (8)	I406—Zn43—I405	122.4 (4)
C365—N323—Zn56	122 (3)	N311^i—Zn42—I403	105.0 (7)
C366—N323—Zn36	120.4 (6)	N311^i—Zn42—I404	105.8 (8)
C366—N323—C365	116.5 (7)	N305—Zn42—N311^i	98.7 (8)
C366—N323—Zn46	116.7 (8)	N305—Zn42—I403	105.1 (6)
C366—N323—Zn56	121 (3)	N305—Zn42—I404	111.0 (7)
C348—N317—Zn36^vi	121.4 (8)	I403—Zn42—I404	127.4 (9)
C348—N317—Zn46^vi	128.7 (9)	N318—Zn45—I409	107.0 (5)
C348—N317—Zn56^vi	132.4 (14)	N318—Zn45—I410	112.4 (7)
C347—N317—Zn36^vi	120.1 (7)	N319—Zn45—N318	101.8 (6)
C347—N317—C348	117.7 (9)	N319—Zn45—I409	99.9 (6)
C347—N317—Zn46^vi	112.8 (9)	N319—Zn45—I410	109.6 (6)
C347—N317—Zn56^vi	104.9 (11)	I410—Zn45—I409	123.2 (6)
C398—N334—C397	114.6 (7)	N335^iii—Zn41—N301	102.5 (5)
C307—N303—C306	115.4 (7)	N335^iii—Zn41—I402	102.8 (5)
C379—N327—C378	114.8 (9)	N335^iii—Zn41—I401	113.2 (5)
C380—N328—C379	115.4 (10)	N301—Zn41—I402	100.6 (5)
C351—C352—C344	120.2 (9)	N301—Zn41—I401	109.8 (5)
C353—C352—C344	122.0 (7)	I401—Zn41—I402	125.0 (5)
C353—C352—C351	117.7 (8)	N331—Zn48—N330	103.5 (7)
Zn31^vii—N335—Zn51^vii	34.7 (12)	N331—Zn48—I415	104.8 (7)
Zn31^vii—N335—Zn61^vii	51.1 (17)	N331—Zn48—I416	107.8 (8)
C401—N335—Zn31^vii	127.2 (7)	N330—Zn48—I415	106.6 (8)
C401—N335—C402	118.8 (9)	N330—Zn48—I416	109.4 (8)
C401—N335—Zn41^vii	117.3 (7)	I416—Zn48—I415	123.0 (9)
C401—N335—Zn51^vii	92.9 (14)	N336—Zn49—N329^iv	99.4 (5)
C401—N335—Zn61^vii	76.3 (18)	N336—Zn49—I418	113.7 (6)
C402—N335—Zn31^vii	113.9 (7)	N336—Zn49—I417	99.2 (5)
C402—N335—Zn41^vii	123.9 (8)	N329^iv—Zn49—I418	116.0 (7)
C402—N335—Zn51^vii	147.5 (14)	N329^iv—Zn49—I417	98.5 (7)
C402—N335—Zn61^vii	163.8 (18)	I418—Zn49—I417	125.7 (5)
Zn41^vii—N335—Zn61^vii	41.1 (16)	N323—Zn46—I411	105.8 (7)
Zn51^vii—N335—Zn61^vii	16.7 (16)	N323—Zn46—I412	98.0 (7)
C378—N326—C380	114.4 (9)	N317^ii—Zn46—N323	105.3 (8)
N308—C326—C334	117.3 (6)	N317^ii—Zn46—I411	110.9 (8)
N310—C326—N308	125.1 (6)	N317^ii—Zn46—I412	108.6 (8)
N310—C326—C334	117.4 (6)	I412—Zn46—I411	125.6 (8)
C395—N331—Zn38	121.5 (7)	N312—Zn34—N313	102.0 (3)
C395—N331—Zn48	126.0 (9)	N312—Zn34—I308	110.6 (3)
C391—N331—Zn38	121.5 (7)	N312—Zn34—I307	108.5 (3)
C391—N331—C395	116.9 (8)	N313—Zn34—I308	106.3 (3)
C391—N331—Zn48	116.8 (9)	N313—Zn34—I307	107.3 (3)
C8A—O2A—C14A	117.4 (11)	I307—Zn34—I308	120.52 (18)
N308—C324—C321	117.1 (6)	N311^i—Zn52—N305	102.6 (12)
N309—C324—N308	126.3 (6)	N311^i—Zn52—I503	121.6 (16)
N309—C324—C321	116.5 (6)	N311^i—Zn52—I504	94.1 (11)
N316—C343—C345	115.4 (9)	N305—Zn52—I503	110.9 (15)
N315—C343—N316	126.2 (8)	N305—Zn52—I504	101.6 (13)
N315—C343—C345	118.4 (8)	I503—Zn52—I504	122.5 (12)
C320—C321—C324	120.0 (6)	N336—Zn59—N329^iv	91 (3)
C320—C321—C322	118.8 (7)	N336—Zn59—C383^iv	102 (3)
C322—C321—C324	121.2 (7)	N336—Zn59—I518	115 (2)
C12A—O3A—C15A	118.8 (11)	N336—Zn59—I519	98.2 (18)
C390—N330—Zn38	125.4 (8)	N329^iv—Zn59—C383^iv	32.0 (11)
C390—N330—C386	117.3 (9)	N329^iv—Zn59—I518	134 (3)
C390—N330—Zn48	120.7 (10)	N329^iv—Zn59—I519	92.9 (14)
C386—N330—Zn38	117.3 (7)	I519—Zn59—I518	118 (3)
C386—N330—Zn48	121.9 (9)	N306—Zn53—I505	101 (4)
C333—C334—C326	121.7 (6)	N306—Zn53—I506	123 (4)
C335—C334—C326	120.8 (7)	N307—Zn53—N306	89 (4)
C335—C334—C333	117.5 (7)	N307—Zn53—I505	100 (4)
C377—N325—Zn37	123.6 (8)	N307—Zn53—I506	116 (4)
C377—N325—Zn47	113.9 (9)	I505—Zn53—I506	121 (4)
C373—N325—Zn37	118.4 (9)	N335^iii—Zn51—N301	97.2 (17)
C373—N325—C377	117.9 (11)	N335^iii—Zn51—C401^iii	30.9 (7)
C373—N325—Zn47	128.2 (9)	N335^iii—Zn51—I501	127 (2)
C349—C345—C343	123.7 (8)	N335^iii—Zn51—I17	87.0 (15)
C349—C345—C346	118.6 (9)	N301—Zn51—C401^iii	112.0 (17)
C346—C345—C343	117.7 (10)	N301—Zn51—I501	127.2 (18)
C328—C327—C325	121.0 (7)	N301—Zn51—I17	76.2 (14)
C328—C327—C331	118.2 (7)	C401^iii—Zn51—I17	116.4 (16)
C331—C327—C325	120.7 (7)	I501—Zn51—I17	126.4 (17)
N320—C362—C370	118.0 (7)	N324—Zn47—I413	115.2 (6)
N322—C362—N320	125.1 (7)	N324—Zn47—I414	101.9 (6)
N322—C362—C370	116.7 (7)	N325—Zn47—N324	102.5 (6)
C317—C316—C308	121.9 (7)	N325—Zn47—I413	114.8 (7)
C317—C316—C315	116.9 (8)	N325—Zn47—I414	98.9 (6)
C315—C316—C308	121.2 (8)	I413—Zn47—I414	120.9 (6)
C316—C317—H317	119.5	N323—Zn56—N317^ii	114 (4)
C316—C317—C318	120.9 (8)	N323—Zn56—C366	25.8 (14)
C318—C317—H317	119.5	N323—Zn56—I511	118 (3)
C356—C357—C360	121.6 (7)	N323—Zn56—I512	107 (3)
C356—C357—C358	117.9 (7)	N317^ii—Zn56—C366	88 (3)
C358—C357—C360	120.5 (7)	N317^ii—Zn56—I511	104 (3)
C340—C339—C342	121.1 (8)	N317^ii—Zn56—I512	96 (2)
C340—C339—C338	117.6 (10)	I511—Zn56—C366	130 (2)
C338—C339—C342	121.3 (8)	I512—Zn56—C366	111 (2)
C404—N336—Zn39	124.5 (7)	I512—Zn56—I511	115 (3)
C404—N336—Zn49	117.6 (7)	N335^iii—Zn61—N301	77 (2)
C404—N336—Zn59	109.1 (19)	N335^iii—Zn61—C401^iii	30.0 (9)
C408—N336—Zn39	117.1 (8)	N335^iii—Zn61—I602	72 (2)
C408—N336—C404	117.2 (8)	N301—Zn61—I602	70.5 (19)
C408—N336—Zn49	124.6 (7)	C401^iii—Zn61—N301	98 (2)
C408—N336—Zn59	127 (2)	C401^iii—Zn61—I602	99 (2)
N316—C344—C352	116.3 (8)	I601—Zn61—N301	137 (3)
N314—C344—N316	125.8 (8)	I601—Zn61—I602	133 (3)
N314—C344—C352	117.8 (7)	O3A—C15A—H15A	109.5
N310—C325—N309	124.4 (6)	O3A—C15A—H15B	109.5
N310—C325—C327	118.4 (6)	O3A—C15A—H15C	109.5
N309—C325—C327	117.2 (6)	H15A—C15A—H15B	109.5
N304—C308—C316	116.0 (8)	H15A—C15A—H15C	109.5
N302—C308—N304	125.5 (7)	H15B—C15A—H15C	109.5
N302—C308—C316	118.5 (7)	C3B—C4B—C5B	121 (2)
N304—C307—C309	117.0 (8)	C3B—C4B—C7B	115 (3)
N303—C307—N304	125.2 (8)	C5B—C4B—C7B	123 (2)
N303—C307—C309	117.7 (7)	C4B—C3B—H3B	120.4
C305—N301—Zn31	126.5 (9)	C4B—C3B—C2B	119 (2)
C305—N301—Zn41	118.9 (9)	C2B—C3B—H3B	120.4
C305—N301—Zn51	100.3 (14)	C4B—C5B—C6B	120 (2)
C305—N301—Zn61	87.1 (17)	C4B—C5B—C13B	112 (3)
C301—N301—Zn31	115.7 (10)	C6B—C5B—C13B	128 (3)
C301—N301—C305	117.6 (11)	C8B—O2B—C14B	120 (4)
C301—N301—Zn41	123.4 (9)	C5B—C6B—H6B	121.0
C301—N301—Zn51	137.7 (14)	C1B—C6B—C5B	118 (2)
C301—N301—Zn61	144.6 (17)	C1B—C6B—H6B	121.0
C371—C370—C362	117.9 (7)	C3B—C2B—H2B	120.6
C369—C370—C362	124.1 (8)	C3B—C2B—C1B	119 (2)
C369—C370—C371	118.0 (8)	C1B—C2B—H2B	120.6
N311—C329—H329	118.4	C12B—C7B—C4B	117 (2)
N311—C329—C328	123.1 (8)	C12B—C7B—C8B	120.0
C328—C329—H329	118.4	C8B—C7B—C4B	123 (2)
C405—C406—C398	122.7 (8)	C11B—C12B—C7B	120.0
C405—C406—C407	118.0 (8)	O3B—C12B—C7B	115 (3)
C407—C406—C398	119.2 (8)	O3B—C12B—C11B	125 (3)
C334—C333—H333	120.8	C12B—C11B—H11B	120.0
C332—C333—C334	118.4 (7)	C12B—C11B—C10B	120.0
C332—C333—H333	120.8	C10B—C11B—H11B	120.0
C321—C320—H320	120.4	C11B—C10B—H10B	120.0
C321—C320—C319	119.3 (7)	C9B—C10B—C11B	120.0
C319—C320—H320	120.4	C9B—C10B—H10B	120.0
N321—C361—C363	118.1 (7)	C10B—C9B—H9B	120.0
N322—C361—N321	124.7 (7)	C10B—C9B—C8B	120.0
N322—C361—C363	117.1 (7)	C8B—C9B—H9B	120.0
N315—C342—C339	117.8 (8)	O2B—C8B—C7B	114 (3)
N314—C342—N315	125.6 (9)	O2B—C8B—C9B	126 (3)
N314—C342—C339	116.7 (7)	C9B—C8B—C7B	120.0
C352—C351—H351	120.6	C6B—C1B—C2B	123 (2)
C350—C351—C352	118.8 (10)	C6B—C1B—H1B	118.7
C350—C351—H351	120.6	C2B—C1B—H1B	118.7
N306—C318—C317	121.9 (9)	C5B—C13B—H13C	109.7
N306—C318—H318	119.0	C5B—C13B—H13D	109.7
C317—C318—H318	119.0	H13C—C13B—H13D	108.2
N312—C332—C333	123.1 (7)	O1B—C13B—C5B	110 (2)
N312—C332—H332	118.4	O1B—C13B—H13C	109.7
C333—C332—H332	118.4	O1B—C13B—H13D	109.7
C13A—O1A—H1AA	109.5	C12B—O3B—C15B	119 (3)
N320—C360—N321	125.8 (7)	C13B—O1B—H1BA	109.5
N320—C360—C357	118.8 (7)	O2B—C14B—H14D	109.5
N321—C360—C357	115.4 (7)	O2B—C14B—H14E	109.5
C364—C363—C361	123.4 (7)	O2B—C14B—H14F	109.5
C364—C363—C367	118.4 (8)	H14D—C14B—H14E	109.5
C367—C363—C361	118.2 (8)	H14D—C14B—H14F	109.5
N318—C350—C351	123.8 (9)	H14E—C14B—H14F	109.5
N318—C350—H350	118.1	O3B—C15B—H15D	109.5
C351—C350—H350	118.1	O3B—C15B—H15E	109.5
C321—C322—H322	120.4	O3B—C15B—H15F	109.5
C323—C322—C321	119.2 (7)	H15D—C15B—H15E	109.5
C323—C322—H322	120.4	H15D—C15B—H15F	109.5
C392—C393—C396	121.1 (8)	H15E—C15B—H15F	109.5
C394—C393—C396	122.2 (8)	H2C—C809—H2D	108.1
C394—C393—C392	116.6 (9)	C810—C809—H2C	109.6
N333—C397—N334	125.9 (7)	C810—C809—H2D	109.6
N333—C397—C399	117.9 (7)	C810—C809—C808	110.2 (18)
N334—C397—C399	116.1 (8)	C808—C809—H2C	109.6
N302—C306—N303	123.3 (9)	C808—C809—H2D	109.6
N302—C306—C303	119.6 (8)	C809—C810—H3C	109.5
N303—C306—C303	117.1 (8)	C809—C810—H3D	109.5
C403—C399—C397	120.0 (8)	C809—C810—C811	110.6 (16)
C400—C399—C397	122.9 (9)	H3C—C810—H3D	108.1
C400—C399—C403	117.1 (9)	C811—C810—H3C	109.5
N332—C398—C406	117.0 (7)	C811—C810—H3D	109.5
N334—C398—N332	125.6 (7)	C810—C811—H7A	109.7
N334—C398—C406	117.5 (7)	C810—C811—H7B	109.7
C313—C309—C307	122.6 (8)	C810—C811—C812	109.7 (16)
C313—C309—C310	117.0 (9)	H7A—C811—H7B	108.2
C310—C309—C307	120.2 (10)	C812—C811—H7A	109.7
C327—C328—C329	119.0 (7)	C812—C811—H7B	109.7
C327—C328—H328	120.5	C811—C812—H8A	109.7
C329—C328—H328	120.5	C811—C812—H8B	109.7
N319—C355—H355	118.9	H8A—C812—H8B	108.2
C356—C355—N319	122.1 (8)	C807—C812—C811	110.0 (17)
C356—C355—H355	118.9	C807—C812—H8A	109.7
N319—C359—H359	117.8	C807—C812—H8B	109.7
N319—C359—C358	124.3 (8)	C812—C807—H9C	109.5
C358—C359—H359	117.8	C812—C807—H9D	109.5
N328—C380—N326	124.8 (9)	C812—C807—C808	110.6 (18)
N328—C380—C388	117.4 (10)	H9C—C807—H9D	108.1
N326—C380—C388	117.6 (8)	C808—C807—H9C	109.5
N307—C319—C320	121.2 (8)	C808—C807—H9D	109.5
N307—C319—H319	119.4	C809—C808—C807	110.3 (17)
C320—C319—H319	119.4	C809—C808—H10C	109.6
N332—C396—C393	115.1 (7)	C809—C808—H10D	109.6
N333—C396—N332	125.2 (8)	C807—C808—H10C	109.6
N333—C396—C393	119.8 (8)	C807—C808—H10D	109.6
N312—C336—H336	118.7	H10C—C808—H10D	108.1
N312—C336—C335	122.6 (8)	H11C—C829—H11D	108.2
C335—C336—H336	118.7	C828—C829—H11C	109.7
C363—C364—H364	120.7	C828—C829—H11D	109.7
C363—C364—C365	118.7 (7)	C828—C829—C830	109.9 (17)
C365—C364—H364	120.7	C830—C829—H11C	109.7
N327—C379—N328	124.7 (9)	C830—C829—H11D	109.7
N327—C379—C381	117.8 (10)	C829—C828—H15G	109.6
N328—C379—C381	117.4 (11)	C829—C828—H15H	109.6
C406—C405—H405	120.2	H15G—C828—H15H	108.1
C406—C405—C404	119.7 (8)	C827—C828—C829	110.2 (16)
C404—C405—H405	120.2	C827—C828—H15G	109.6
N307—C323—C322	123.0 (7)	C827—C828—H15H	109.6
N307—C323—H323	118.5	C828—C827—H17A	109.2
C322—C323—H323	118.5	C828—C827—H17B	109.2
N317—C348—H348	119.1	C828—C827—C826	112.2 (16)
N317—C348—C349	121.8 (11)	H17A—C827—H17B	107.9
C349—C348—H348	119.1	C826—C827—H17A	109.2
C357—C356—H356	120.1	C826—C827—H17B	109.2
C355—C356—C357	119.9 (8)	C827—C826—H19A	109.3
C355—C356—H356	120.1	C827—C826—H19B	109.3
C334—C335—H335	119.8	C827—C826—C825	111.8 (16)
C336—C335—C334	120.4 (8)	H19A—C826—H19B	107.9
C336—C335—H335	119.8	C825—C826—H19A	109.3
C370—C371—H371	120.4	C825—C826—H19B	109.3
C372—C371—C370	119.2 (9)	C826—C825—H13E	109.8
C372—C371—H371	120.4	C826—C825—H13F	109.8
N305—C312—H312	119.4	C826—C825—C830	109.5 (16)
N305—C312—C313	121.3 (10)	H13E—C825—H13F	108.2
C313—C312—H312	119.4	C830—C825—H13E	109.8
C345—C349—C348	120.5 (9)	C830—C825—H13F	109.8
C345—C349—H349	119.7	C829—C830—H22A	109.5
C348—C349—H349	119.7	C829—C830—H22B	109.5
C389—C388—C380	122.9 (9)	C825—C830—C829	110.9 (16)
C389—C388—C387	116.2 (10)	C825—C830—H22A	109.5
C387—C388—C380	120.8 (11)	C825—C830—H22B	109.5
C352—C353—H353	120.3	H22A—C830—H22B	108.1
C352—C353—C354	119.4 (9)	H4A—C813—H4B	108.2
C354—C353—H353	120.3	C818—C813—H4A	109.7
C385—C381—C379	121.3 (11)	C818—C813—H4B	109.7
C385—C381—C382	118.5 (11)	C814—C813—H4A	109.7
C382—C381—C379	120.1 (13)	C814—C813—H4B	109.7
Zn39^viii—N329—Zn59^viii	37.4 (10)	C814—C813—C818	110 (2)
C383—N329—Zn39^viii	124.4 (11)	C813—C818—H5A	109.8
C383—N329—Zn49^viii	105.0 (11)	C813—C818—H5B	109.8
C383—N329—Zn59^viii	87.0 (13)	C813—C818—C817	109.3 (19)
C384—N329—Zn39^viii	116.3 (12)	H5A—C818—H5B	108.3
C384—N329—C383	118.7 (12)	C817—C818—H5A	109.8
C384—N329—Zn49^viii	135.8 (13)	C817—C818—H5B	109.8
C384—N329—Zn59^viii	153.4 (17)	C818—C817—H6C	110.0
N327—C378—C375	117.1 (9)	C818—C817—H6D	110.0
N326—C378—N327	125.7 (11)	C818—C817—C816	108.5 (19)
N326—C378—C375	117.2 (9)	H6C—C817—H6D	108.4
C357—C358—H358	120.8	C816—C817—H6C	110.0
C359—C358—C357	118.4 (8)	C816—C817—H6D	110.0
C359—C358—H358	120.8	C817—C816—H12A	109.8
C393—C392—H392	120.5	C817—C816—H12B	109.8
C391—C392—C393	119.1 (9)	C817—C816—C815	109.2 (19)
C391—C392—H392	120.5	H12A—C816—H12B	108.3
N318—C354—C353	123.1 (10)	C815—C816—H12A	109.8
N318—C354—H354	118.4	C815—C816—H12B	109.8
C353—C354—H354	118.4	C816—C815—H14G	109.8
N324—C372—C371	122.1 (9)	C816—C815—H14H	109.8
N324—C372—H372	118.9	H14G—C815—H14H	108.2
C371—C372—H372	118.9	C814—C815—C816	109.4 (19)
C376—C375—C378	121.4 (10)	C814—C815—H14G	109.8
C376—C375—C374	116.7 (12)	C814—C815—H14H	109.8
C374—C375—C378	121.8 (10)	C813—C814—C815	110 (2)
C309—C313—C312	121.3 (8)	C813—C814—H16A	109.7
C309—C313—H313	119.3	C813—C814—H16B	109.7
C312—C313—H313	119.3	C815—C814—H16A	109.7
C316—C315—H315	120.1	C815—C814—H16B	109.7
C314—C315—C316	119.8 (10)	H16A—C814—H16B	108.2
C314—C315—H315	120.1	H18A—C819—H18B	107.8
C304—C303—C306	122.9 (10)	C824—C819—H18A	109.0
C304—C303—C302	115.1 (11)	C824—C819—H18B	109.0
C302—C303—C306	122.0 (9)	C824—C819—C820	113 (2)
N306—C314—C315	122.9 (9)	C820—C819—H18A	109.0
N306—C314—H314	118.5	C820—C819—H18B	109.0
C315—C314—H314	118.5	C819—C824—H1CA	109.0
N323—C365—C364	123.3 (8)	C819—C824—H1CB	109.0
N323—C365—H365	118.4	C819—C824—C823	113.1 (19)
C364—C365—H365	118.4	H1CA—C824—H1CB	107.8
N331—C395—H395	118.8	C823—C824—H1CA	109.0
N331—C395—C394	122.4 (9)	C823—C824—H1CB	109.0
C394—C395—H395	118.8	C824—C823—H1DA	109.2
N324—C368—H368	118.7	C824—C823—H1DB	109.2
N324—C368—C369	122.5 (8)	C824—C823—C822	112.1 (19)
C369—C368—H368	118.7	H1DA—C823—H1DB	107.9
N336—C404—C405	122.4 (9)	C822—C823—H1DA	109.2
N336—C404—H404	118.8	C822—C823—H1DB	109.2
C405—C404—H404	118.8	C823—C822—H1EA	109.4
C327—C331—H331	120.6	C823—C822—H1EB	109.4
C330—C331—C327	118.7 (8)	H1EA—C822—H1EB	108.0
C330—C331—H331	120.6	C821—C822—C823	111.0 (19)
C393—C394—C395	121.4 (9)	C821—C822—H1EA	109.4
C393—C394—H394	119.3	C821—C822—H1EB	109.4
C395—C394—H394	119.3	C822—C821—H1FA	109.5
C339—C340—H340	120.5	C822—C821—H1FB	109.5
C339—C340—C341	118.9 (9)	C822—C821—C820	110.8 (19)
C341—C340—H340	120.5	H1FA—C821—H1FB	108.1
C370—C369—C368	119.8 (8)	C820—C821—H1FA	109.5
C370—C369—H369	120.1	C820—C821—H1FB	109.5
C368—C369—H369	120.1	C819—C820—C821	112.8 (19)
N313—C337—H337	118.5	C819—C820—H1GA	109.0
N313—C337—C338	123.0 (9)	C819—C820—H1GB	109.0
C338—C337—H337	118.5	C821—C820—H1GA	109.0
C8A—C7A—C4A	121.3 (9)	C821—C820—H1GB	109.0
C8A—C7A—C12A	118.2 (9)	H1GA—C820—H1GB	107.8
C12A—C7A—C4A	120.5 (8)	H1HA—C804—H1HB	108.2
N311—C330—C331	123.4 (8)	C803—C804—H1HA	109.8
N311—C330—H330	118.3	C803—C804—H1HB	109.8
C331—C330—H330	118.3	C805—C804—H1HA	109.8
C345—C346—H346	121.9	C805—C804—H1HB	109.8
C345—C346—C347	116.2 (12)	C805—C804—C803	110 (2)
C347—C346—H346	121.9	C804—C803—H1IA	109.6
N335—C401—H401	118.3	C804—C803—H1IB	109.6
N335—C401—C400	123.4 (10)	C804—C803—C802	110.1 (17)
N335—C401—Zn51^vii	56.2 (11)	H1IA—C803—H1IB	108.2
N335—C401—Zn61^vii	73.7 (18)	C802—C803—H1IA	109.6
C400—C401—H401	118.3	C802—C803—H1IB	109.6
C400—C401—Zn51^vii	174.3 (13)	C803—C802—H1JA	109.7
C400—C401—Zn61^vii	162.2 (19)	C803—C802—H1JB	109.7
Zn51^vii—C401—H401	62.4	H1JA—C802—H1JB	108.2
Zn51^vii—C401—Zn61^vii	17.6 (14)	C801—C802—C803	110.0 (18)
Zn61^vii—C401—H401	44.9	C801—C802—H1JA	109.7
C339—C338—H338	120.1	C801—C802—H1JB	109.7
C337—C338—C339	119.8 (9)	C802—C801—H1KA	109.6
C337—C338—H338	120.1	C802—C801—H1KB	109.6
C381—C385—H385	120.3	H1KA—C801—H1KB	108.2
C381—C385—C384	119.5 (14)	C806—C801—C802	110.1 (17)
C384—C385—H385	120.3	C806—C801—H1KA	109.6
N323—C366—H366	117.5	C806—C801—H1KB	109.6
N323—C366—C367	125.0 (9)	C801—C806—H1LA	109.0
N323—C366—Zn56	33.5 (18)	C801—C806—H1LB	109.0
C367—C366—H366	117.5	H1LA—C806—H1LB	107.8
C367—C366—Zn56	157.1 (17)	C805—C806—C801	113.0 (18)
Zn56—C366—H366	84.6	C805—C806—H1LA	109.0
N313—C341—C340	123.1 (9)	C805—C806—H1LB	109.0
N313—C341—H341	118.5	C804—C805—H1MA	108.7
C340—C341—H341	118.5	C804—C805—H1MB	108.7
C399—C403—H403	119.5	C806—C805—C804	114.4 (18)
C399—C403—C402	121.0 (10)	C806—C805—H1MA	108.7
C402—C403—H403	119.5	C806—C805—H1MB	108.7
N330—C390—H390	118.7	H1MA—C805—H1MB	107.6
Zn33—N306—C318—C317	−171.6 (6)	C353—C352—C344—N316	−3.1 (11)
Zn33—N306—C314—C315	173.3 (8)	C353—C352—C344—N314	174.3 (8)
Zn33—N307—C319—C320	175.9 (8)	C353—C352—C351—C350	−1.0 (12)
Zn33—N307—C323—C322	−177.7 (8)	C381—C385—C384—N329	0.7 (18)
Zn35—N318—C350—C351	−172.2 (6)	N329—C383—C382—C381	0 (2)
Zn35—N318—C354—C353	173.5 (8)	C378—N327—C379—N328	1.0 (14)
Zn35—N319—C355—C356	−174.4 (8)	C378—N327—C379—C381	177.3 (9)
Zn35—N319—C359—C358	174.4 (9)	C378—N326—C380—N328	−1.4 (15)
Zn44—N312—C332—C333	178.9 (8)	C378—N326—C380—C388	−177.0 (9)
Zn44—N312—C336—C335	−178.6 (9)	C378—C375—C376—C377	178.4 (14)
Zn44—N313—C337—C338	−175.7 (9)	C378—C375—C374—C373	−177.9 (14)
Zn44—N313—C341—C340	178.2 (9)	C358—C357—C360—N320	−1.7 (14)
Zn32^v—N311—C329—C328	−175.5 (8)	C358—C357—C360—N321	178.1 (9)
Zn32^v—N311—C330—C331	176.1 (10)	C358—C357—C356—C355	−1.1 (16)
Zn32—N305—C312—C313	−176.5 (8)	C392—C393—C396—N332	178.6 (10)
Zn32—N305—C311—C310	179.2 (13)	C392—C393—C396—N333	−2.7 (15)
Zn36—N323—C365—C364	168.7 (9)	C392—C393—C394—C395	2.3 (17)
Zn36—N323—C366—C367	−171.9 (13)	C354—N318—C350—C351	4.7 (13)
Zn36^vi—N317—C348—C349	170.6 (6)	C372—N324—C368—C369	−1.2 (16)
Zn36^vi—N317—C347—C346	−172.1 (11)	C375—C376—C377—N325	0 (3)
Zn38—N331—C395—C394	−177.2 (9)	C313—C309—C310—C311	−1 (2)
Zn38—N331—C391—C392	178.3 (10)	C315—C316—C317—C318	−1.3 (12)
Zn38—N330—C390—C389	−178.9 (9)	C315—C316—C308—N304	164.4 (8)
Zn38—N330—C386—C387	177.5 (17)	C315—C316—C308—N302	−16.4 (11)
Zn37—N324—C372—C371	−179.0 (9)	C303—C304—C305—N301	3 (3)
Zn37—N324—C368—C369	179.7 (8)	C314—N306—C318—C317	1.0 (12)
Zn37—N325—C377—C376	−173.9 (13)	C365—N323—C366—C367	−1 (2)
Zn37—N325—C373—C374	174.7 (13)	C365—N323—C366—Zn56	−169 (2)
Zn31^vii—N335—C401—C400	−178.4 (9)	C365—N323—Zn56—N317^ii	167.4 (11)
Zn31^vii—N335—C402—C403	−180 (100)	C365—N323—Zn56—C366	169 (2)
Zn31—N301—C305—C304	172.4 (14)	C365—N323—Zn56—I511	44 (4)
Zn31—N301—C301—C302	−175.1 (15)	C365—N323—Zn56—I512	−87 (2)
Zn39—N336—C404—C405	164.0 (9)	C395—N331—C391—C392	0.4 (19)
Zn39—N336—C408—C407	−166.3 (15)	C368—N324—C372—C371	1.9 (17)
Zn39^viii—N329—C383—C382	−171.7 (11)	C404—N336—C408—C407	2 (3)
Zn39^viii—N329—C384—C385	172.0 (9)	C331—C327—C325—N310	−7.6 (15)
N308—C326—C334—C333	−13.7 (13)	C331—C327—C325—N309	173.0 (10)
N308—C326—C334—C335	164.3 (9)	C331—C327—C328—C329	0.7 (15)
N308—C324—C321—C320	−174.7 (9)	C394—C393—C396—N332	−0.5 (15)
N308—C324—C321—C322	4.6 (13)	C394—C393—C396—N333	178.2 (10)
N316—C343—C345—C349	−1.5 (11)	C394—C393—C392—C391	−1.3 (18)
N316—C343—C345—C346	178.7 (9)	C340—C339—C342—N315	158.8 (9)
N310—C326—C334—C333	171.0 (8)	C340—C339—C342—N314	−21.0 (12)
N310—C326—C334—C335	−11.0 (13)	C340—C339—C338—C337	−0.4 (16)
N309—C324—C321—C320	2.1 (13)	C369—C370—C371—C372	0.2 (16)
N309—C324—C321—C322	−178.5 (8)	C337—N313—C341—C340	−1.9 (16)
N304—C307—C309—C313	−23.6 (12)	C7A—C8A—C9A—C10A	−4 (2)
N304—C307—C309—C310	151.4 (11)	C7A—C4A—C5A—C6A	178.1 (7)
N315—C343—C345—C349	−178.5 (8)	C7A—C4A—C5A—C13A	−0.8 (10)
N315—C343—C345—C346	1.7 (12)	C7A—C12A—C11A—C10A	0 (2)
N320—C362—C370—C371	173.2 (9)	C330—N311—C329—C328	1.0 (16)
N320—C362—C370—C369	−8.5 (15)	C346—C345—C349—C348	3.5 (13)
N312—C336—C335—C334	−0.8 (18)	C401—N335—C402—C403	2.7 (18)
N311—C329—C328—C327	−1.2 (16)	C338—C339—C342—N315	−23.1 (12)
N313—C337—C338—C339	−3.3 (17)	C338—C339—C342—N314	157.1 (8)
N321—C361—C363—C364	−10.2 (16)	C338—C339—C340—C341	2.7 (16)
N321—C361—C363—C367	167.3 (11)	C385—C381—C382—C383	1 (2)
N324—C368—C369—C370	0.1 (17)	C366—N323—C365—C364	−1.8 (18)
N305—C312—C313—C309	−0.7 (16)	C366—N323—Zn56—N317^ii	−1 (3)
N305—C311—C310—C309	−3 (2)	C366—N323—Zn56—I511	−124 (3)
N322—C362—C370—C371	−10.4 (13)	C366—N323—Zn56—I512	104 (3)
N322—C362—C370—C369	167.9 (10)	C341—N313—C337—C338	4.4 (16)
N322—C361—C363—C364	172.0 (10)	C403—C399—C400—C401	2.3 (17)
N322—C361—C363—C367	−10.5 (16)	C390—N330—C386—C387	−4 (3)
N319—C355—C356—C357	−1.9 (17)	C389—C388—C387—C386	1 (3)
N319—C359—C358—C357	1.7 (18)	C400—C399—C403—C402	−0.7 (18)
N333—C397—C399—C403	177.7 (10)	C402—N335—C401—C400	−1.0 (18)
N333—C397—C399—C400	−4.3 (15)	C402—N335—C401—Zn51^vii	172.2 (15)
N302—C306—C303—C304	16.8 (16)	C402—N335—C401—Zn61^vii	173.6 (18)
N302—C306—C303—C302	−163.2 (12)	C367—C363—C364—C365	2.3 (17)
N323—C366—C367—C363	5 (3)	C407—C406—C398—N332	176.6 (11)
N317—C348—C349—C345	−1.5 (13)	C407—C406—C398—N334	−1.7 (16)
N334—C397—C399—C403	−6.1 (14)	C407—C406—C405—C404	−1.7 (17)
N334—C397—C399—C400	171.9 (10)	C391—N331—C395—C394	0.6 (17)
N303—C307—C309—C313	157.0 (9)	C8A—C7A—C4A—C3A	−72.5 (12)
N303—C307—C309—C310	−28.0 (14)	C8A—C7A—C4A—C5A	109.4 (10)
N303—C306—C303—C304	−163.5 (12)	C8A—C7A—C12A—O3A	179.7 (11)
N303—C306—C303—C302	16.6 (16)	C8A—C7A—C12A—C11A	0.1 (19)
N327—C379—C381—C385	−164.1 (10)	C8A—C9A—C10A—C11A	4 (2)
N327—C379—C381—C382	18.4 (15)	C347—N317—C348—C349	0.6 (14)
N327—C378—C375—C376	−16.0 (18)	C1A—C2A—C3A—C4A	0.0
N327—C378—C375—C374	164.1 (12)	C2A—C1A—C6A—C5A	0.0
N328—C380—C388—C389	15.5 (16)	C2A—C3A—C4A—C7A	−178.2 (7)
N328—C380—C388—C387	−160.3 (14)	C2A—C3A—C4A—C5A	0.0
N328—C379—C381—C385	12.5 (14)	C3A—C4A—C5A—C6A	0.0
N328—C379—C381—C382	−165.1 (11)	C3A—C4A—C5A—C13A	−178.9 (10)
C352—C351—C350—N318	−2.6 (12)	C4A—C7A—C8A—O2A	−2.2 (16)
C352—C353—C354—N318	−0.2 (16)	C4A—C7A—C8A—C9A	179.5 (11)
N335—C401—C400—C399	−1.6 (19)	C4A—C7A—C12A—O3A	2.0 (17)
N326—C380—C388—C389	−168.5 (11)	C4A—C7A—C12A—C11A	−177.6 (11)
N326—C380—C388—C387	15.7 (19)	C4A—C5A—C6A—C1A	0.0
N326—C378—C375—C376	164.6 (12)	C4A—C5A—C13A—O1A	−160.1 (9)
N326—C378—C375—C374	−15.2 (18)	C6A—C1A—C2A—C3A	0.0
C326—N308—C324—N309	−0.1 (12)	C6A—C5A—C13A—O1A	21.0 (16)
C326—N308—C324—C321	176.4 (7)	C12A—C7A—C8A—O2A	−179.8 (11)
C326—N310—C325—N309	−1.3 (13)	C12A—C7A—C8A—C9A	1.8 (19)
C326—N310—C325—C327	179.4 (8)	C12A—C7A—C4A—C3A	105.1 (11)
C326—C334—C333—C332	176.9 (8)	C12A—C7A—C4A—C5A	−73.0 (12)
C326—C334—C335—C336	−176.6 (10)	C12A—C11A—C10A—C9A	−3 (2)
N331—C395—C394—C393	−2.0 (19)	C304—C303—C302—C301	0 (2)
O2A—C8A—C9A—C10A	177.7 (13)	C383—N329—C384—C385	0.5 (19)
C324—N308—C326—N310	2.4 (12)	C376—C375—C374—C373	2 (2)
C324—N308—C326—C334	−172.5 (7)	C305—N301—C301—C302	−1 (3)
C324—N309—C325—N310	3.3 (13)	C377—N325—C373—C374	−1 (2)
C324—N309—C325—C327	−177.4 (8)	C373—N325—C377—C376	1 (2)
C324—C321—C320—C319	177.2 (9)	C311—N305—C312—C313	−3.4 (16)
C324—C321—C322—C323	−178.9 (9)	C384—N329—C383—C382	−1 (2)
C343—N316—C344—N314	0.1 (10)	C384—N329—C383—Zn59^viii	173 (2)
C343—N316—C344—C352	177.3 (6)	C408—N336—C404—C405	−3 (2)
C343—N315—C342—N314	−1.2 (11)	C310—C309—C313—C312	2.7 (16)
C343—N315—C342—C339	179.0 (7)	C382—C381—C385—C384	−1.4 (17)
C343—C345—C349—C348	−176.2 (8)	C301—N301—C305—C304	−1 (3)
C343—C345—C346—C347	175.2 (10)	C374—C375—C376—C377	−2 (2)
C321—C320—C319—N307	2.4 (17)	C302—C303—C304—C305	−2 (2)
C321—C322—C323—N307	1.2 (16)	C14A—O2A—C8A—C7A	−174.5 (11)
O3A—C12A—C11A—C10A	−179.3 (13)	C14A—O2A—C8A—C9A	3.8 (18)
N330—C390—C389—C388	0 (2)	C13A—C5A—C6A—C1A	178.9 (10)
C334—C333—C332—N312	0.0 (15)	C387—C388—C389—C390	−2 (2)
N325—C373—C374—C375	−1 (3)	C386—N330—C390—C389	3 (2)
C345—C346—C347—N317	4 (2)	Zn43—N306—C318—C317	−172.7 (6)
C327—C331—C330—N311	0 (2)	Zn43—N306—C314—C315	174.0 (8)
C362—N320—C360—N321	−4.6 (14)	Zn43—N307—C319—C320	173.4 (9)
C362—N320—C360—C357	175.2 (8)	Zn43—N307—C323—C322	−175.1 (9)
C362—N322—C361—N321	−2.2 (14)	Zn42^v—N311—C329—C328	−171.3 (8)
C362—N322—C361—C363	175.5 (9)	Zn42^v—N311—C330—C331	172.6 (11)
C362—C370—C371—C372	178.6 (10)	Zn42—N305—C312—C313	−178.3 (10)
C362—C370—C369—C368	−177.8 (10)	Zn42—N305—C311—C310	180.0 (14)
C316—C317—C318—N306	−0.4 (12)	Zn45—N318—C350—C351	−170.2 (7)
C316—C315—C314—N306	−1.9 (15)	Zn45—N318—C354—C353	172.1 (9)
C317—C316—C308—N304	−12.9 (10)	Zn45—N319—C355—C356	−168.6 (9)
C317—C316—C308—N302	166.4 (7)	Zn45—N319—C359—C358	169.2 (10)
C317—C316—C315—C314	2.4 (13)	Zn41^vii—N335—C401—C400	−178.1 (10)
C339—C340—C341—N313	−1.7 (18)	Zn41^vii—N335—C402—C403	179.7 (10)
C344—N316—C343—N315	1.1 (10)	Zn41—N301—C305—C304	−179.3 (15)
C344—N316—C343—C345	−175.7 (6)	Zn41—N301—C301—C302	177.2 (14)
C344—N314—C342—N315	2.2 (11)	Zn48—N331—C395—C394	−174.0 (10)
C344—N314—C342—C339	−178.0 (6)	Zn48—N331—C391—C392	175.5 (12)
C344—C352—C351—C350	178.5 (7)	Zn48—N330—C390—C389	178.2 (11)
C344—C352—C353—C354	−177.2 (8)	Zn48—N330—C386—C387	−179.5 (17)
C325—N310—C326—N308	−1.8 (13)	Zn49—N336—C404—C405	−174.4 (9)
C325—N310—C326—C334	173.1 (8)	Zn49—N336—C408—C407	172.5 (15)
C325—N309—C324—N308	−2.5 (13)	Zn49^viii—N329—C383—C382	−173.9 (13)
C325—N309—C324—C321	−179.0 (8)	Zn49^viii—N329—C384—C385	170.8 (9)
C325—C327—C328—C329	−178.0 (9)	Zn46—N323—C365—C364	179.7 (10)
C325—C327—C331—C330	178.6 (11)	Zn46—N323—C366—C367	177.4 (15)
C308—N304—C307—N303	3.9 (11)	Zn46^vi—N317—C348—C349	169.4 (8)
C308—N304—C307—C309	−175.5 (7)	Zn46^vi—N317—C347—C346	−172.5 (12)
C308—N302—C306—N303	1.6 (12)	Zn34—N312—C332—C333	−179.5 (7)
C308—N302—C306—C303	−178.6 (8)	Zn34—N312—C336—C335	180 (100)
C308—C316—C317—C318	176.1 (7)	Zn34—N313—C337—C338	−176.4 (9)
C308—C316—C315—C314	−175.0 (8)	Zn34—N313—C341—C340	178.9 (9)
C307—N304—C308—N302	−4.3 (11)	Zn52^v—N311—C329—C328	170.9 (11)
C307—N304—C308—C316	174.9 (6)	Zn52^v—N311—C330—C331	−167.3 (13)
C307—N303—C306—N302	−2.0 (13)	Zn52—N305—C312—C313	177.2 (17)
C307—N303—C306—C303	178.2 (8)	Zn52—N305—C311—C310	−174.9 (17)
C307—C309—C313—C312	177.8 (9)	Zn59—N336—C404—C405	−156.5 (15)
C307—C309—C310—C311	−176.0 (12)	Zn59—N336—C408—C407	149.7 (17)
N301—C301—C302—C303	1 (3)	Zn59^viii—N329—C383—C382	−174 (2)
C370—C371—C372—N324	−1.4 (18)	Zn59^viii—N329—C384—C385	164 (4)
C329—N311—C330—C331	−0.3 (19)	Zn53—N306—C318—C317	−173 (3)
C406—C405—C404—N336	3.1 (18)	Zn53—N306—C314—C315	173 (3)
C406—C407—C408—N336	0 (3)	Zn53—N307—C319—C320	158 (3)
C333—C334—C335—C336	1.5 (16)	Zn53—N307—C323—C322	−161 (3)
C320—C321—C322—C323	0.4 (15)	Zn51^vii—N335—C401—C400	−173.2 (15)
C361—N321—C360—N320	5.8 (14)	Zn51^vii—N335—C402—C403	168 (2)
C361—N321—C360—C357	−173.9 (8)	Zn51—N301—C305—C304	−162 (2)
C361—N322—C362—N320	3.7 (14)	Zn51—N301—C301—C302	150 (2)
C361—N322—C362—C370	−172.5 (8)	Zn47—N324—C372—C371	178.1 (10)
C361—C363—C364—C365	179.8 (10)	Zn47—N324—C368—C369	−177.9 (9)
C361—C363—C367—C366	177.4 (13)	Zn47—N325—C377—C376	179.1 (15)
C342—N315—C343—N316	−0.6 (11)	Zn47—N325—C373—C374	−178.1 (13)
C342—N315—C343—C345	176.2 (6)	Zn56—N323—C365—C364	−171.1 (19)
C342—N314—C344—N316	−1.6 (10)	Zn56—N323—C366—C367	168 (2)
C342—N314—C344—C352	−178.8 (6)	Zn56^vi—N317—C348—C349	151 (3)
C342—C339—C340—C341	−179.1 (9)	Zn56^vi—N317—C347—C346	−160 (2)
C342—C339—C338—C337	−178.6 (9)	Zn56—C366—C367—C363	22 (5)
C351—C352—C344—N316	177.3 (7)	Zn61^vii—N335—C401—C400	−174.6 (19)
C351—C352—C344—N314	−5.2 (10)	Zn61^vii—N335—C402—C403	160 (6)
C351—C352—C353—C354	2.3 (13)	Zn61—N301—C305—C304	−155 (2)
C318—N306—C314—C315	0.2 (13)	Zn61—N301—C301—C302	129 (3)
C332—N312—C336—C335	−0.4 (16)	Zn61^vii—C401—C400—C399	−164 (5)
C360—N320—C362—N322	−0.5 (14)	C15A—O3A—C12A—C7A	−175.4 (14)
C360—N320—C362—C370	175.5 (8)	C15A—O3A—C12A—C11A	4 (2)
C360—N321—C361—N322	−2.2 (14)	C4B—C3B—C2B—C1B	0.3 (19)
C360—N321—C361—C363	−179.8 (9)	C4B—C5B—C6B—C1B	0 (3)
C360—C357—C356—C355	178.1 (10)	C4B—C5B—C13B—O1B	142 (4)
C360—C357—C358—C359	−178.0 (10)	C4B—C7B—C12B—C11B	178 (2)
C363—C364—C365—N323	1.2 (17)	C4B—C7B—C12B—O3B	2 (3)
C350—N318—C354—C353	−3.2 (14)	C4B—C7B—C8B—O2B	2 (3)
C322—C321—C320—C319	−2.1 (15)	C4B—C7B—C8B—C9B	−178 (3)
C393—C392—C391—N331	0 (2)	C3B—C4B—C5B—C6B	−1 (3)
C397—N333—C396—N332	−2.2 (14)	C3B—C4B—C5B—C13B	178 (3)
C397—N333—C396—C393	179.3 (9)	C3B—C4B—C7B—C12B	74 (2)
C397—N334—C398—N332	−3.3 (14)	C3B—C4B—C7B—C8B	−107 (2)
C397—N334—C398—C406	174.9 (8)	C3B—C2B—C1B—C6B	−1 (3)
C397—C399—C403—C402	177.4 (11)	C5B—C4B—C3B—C2B	1 (2)
C397—C399—C400—C401	−175.7 (10)	C5B—C4B—C7B—C12B	−109 (2)
C306—N302—C308—N304	1.8 (11)	C5B—C4B—C7B—C8B	70 (3)
C306—N302—C308—C316	−177.4 (7)	C5B—C6B—C1B—C2B	1 (3)
C306—N303—C307—N304	−0.9 (13)	C6B—C5B—C13B—O1B	−39 (5)
C306—N303—C307—C309	178.4 (8)	C7B—C4B—C3B—C2B	177 (2)
C306—C303—C304—C305	178.4 (15)	C7B—C4B—C5B—C6B	−177 (2)
C306—C303—C302—C301	179.7 (15)	C7B—C4B—C5B—C13B	1 (3)
C399—C403—C402—N335	−2 (2)	C7B—C12B—C11B—C10B	0.0
C398—N332—C396—N333	3.6 (14)	C7B—C12B—O3B—C15B	175 (5)
C398—N332—C396—C393	−177.9 (8)	C12B—C7B—C8B—O2B	−179 (2)
C398—N334—C397—N333	4.9 (14)	C12B—C7B—C8B—C9B	0.0
C398—N334—C397—C399	−170.9 (8)	C12B—C11B—C10B—C9B	0.0
C398—C406—C405—C404	177.2 (10)	C11B—C12B—O3B—C15B	−1 (6)
C398—C406—C407—C408	−178.5 (14)	C11B—C10B—C9B—C8B	0.0
C328—C327—C325—N310	171.1 (9)	C10B—C9B—C8B—O2B	179 (3)
C328—C327—C325—N309	−8.3 (14)	C10B—C9B—C8B—C7B	0.0
C328—C327—C331—C330	−0.1 (18)	C8B—C7B—C12B—C11B	0.0
C355—N319—C359—C358	−4.6 (16)	C8B—C7B—C12B—O3B	−176 (2)
C359—N319—C355—C356	4.7 (16)	C13B—C5B—C6B—C1B	−179 (3)
C380—N328—C379—N327	2.0 (14)	O3B—C12B—C11B—C10B	176 (2)
C380—N328—C379—C381	−174.3 (9)	C14B—O2B—C8B—C7B	169 (3)
C380—N326—C378—N327	4.9 (16)	C14B—O2B—C8B—C9B	−10 (4)
C380—N326—C378—C375	−175.8 (9)	C809—C810—C811—C812	59 (3)
C380—C388—C389—C390	−178.5 (12)	C810—C809—C808—C807	57 (4)
C380—C388—C387—C386	177.3 (17)	C810—C811—C812—C807	−58 (3)
C319—N307—C323—C322	−1.0 (16)	C811—C812—C807—C808	58 (4)
C396—N332—C398—N334	−0.6 (14)	C812—C807—C808—C809	−58 (4)
C396—N332—C398—C406	−178.8 (8)	C808—C809—C810—C811	−58 (3)
C396—N333—C397—N334	−2.4 (14)	C829—C828—C827—C826	55 (3)
C396—N333—C397—C399	173.4 (8)	C828—C829—C830—C825	60 (3)
C396—C393—C392—C391	179.6 (11)	C828—C827—C826—C825	−55 (3)
C396—C393—C394—C395	−178.6 (10)	C827—C826—C825—C830	55 (3)
C336—N312—C332—C333	0.7 (15)	C826—C825—C830—C829	−58 (3)
C364—C363—C367—C366	−5 (2)	C830—C829—C828—C827	−57 (3)
C379—N327—C378—N326	−4.8 (15)	C813—C818—C817—C816	61 (4)
C379—N327—C378—C375	175.9 (9)	C818—C813—C814—C815	59 (5)
C379—N328—C380—N326	−1.8 (15)	C818—C817—C816—C815	−62 (4)
C379—N328—C380—C388	173.8 (9)	C817—C816—C815—C814	61 (4)
C379—C381—C385—C384	−179.0 (10)	C816—C815—C814—C813	−59 (4)
C379—C381—C382—C383	178.6 (12)	C814—C813—C818—C817	−60 (5)
C405—C406—C398—N332	−2.3 (15)	C819—C824—C823—C822	−51 (5)
C405—C406—C398—N334	179.4 (10)	C824—C819—C820—C821	−51 (5)
C405—C406—C407—C408	0 (2)	C824—C823—C822—C821	55 (5)
C323—N307—C319—C320	−0.8 (16)	C823—C822—C821—C820	−56 (4)
C348—N317—C347—C346	−2.0 (19)	C822—C821—C820—C819	54 (5)
C356—C357—C360—N320	179.1 (9)	C820—C819—C824—C823	49 (5)
C356—C357—C360—N321	−1.2 (14)	C804—C803—C802—C801	63 (4)
C356—C357—C358—C359	1.3 (16)	C803—C804—C805—C806	52 (5)
C335—C334—C333—C332	−1.2 (14)	C803—C802—C801—C806	−58 (4)
C371—C370—C369—C368	0.5 (16)	C802—C801—C806—C805	51 (4)
C312—N305—C311—C310	6 (2)	C801—C806—C805—C804	−49 (5)
C349—C345—C346—C347	−4.5 (16)	C805—C804—C803—C802	−58 (4)
C388—C387—C386—N330	2 (3)

Symmetry codes: (i) x, −y+2, z+1/2; (ii) x, −y+1, z+1/2; (iii) x−1/2, −y+1/2, z−1/2; (iv) x, −y, z+1/2; (v) x, −y+2, z−1/2; (vi) x, −y+1, z−1/2; (vii) x+1/2, −y+1/2, z+1/2; (viii) x, −y, z−1/2.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (25_1_96a)

Crystal data

C108H72I18N36Zn9·0.771(C15H16O3)	F(000) = 18370
Mr = 4934.99	Dx = 1.356 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 78.8715 (10) Å	Cell parameters from 39883 reflections
b = 14.9502 (1) Å	θ = 2.1–74.1°
c = 41.6531 (4) Å	µ = 19.31 mm^−1
β = 100.102 (1)°	T = 100 K
V = 48353.6 (8) Å^3	Block, light yellow
Z = 8	0.21 × 0.19 × 0.08 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	43958 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	32869 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.050
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.2°
profile data from ω–scans	h = −94→94
Absorption correction: analytical CrysAlisPro 1.171.41.89a (Rigaku Oxford Diffraction, 2020) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −17→18
Tmin = 0.076, Tmax = 0.327	l = −50→50
157610 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.094	H-atom parameters constrained
wR(F^2) = 0.304	w = 1/[σ^2(Fo^2) + (0.156P)^2 + 853.9998P] where P = (Fo^2 + 2Fc^2)/3
S = 1.06	(Δ/σ)max = 0.004
43958 reflections	Δρmax = 1.77 e Å^−3
1925 parameters	Δρmin = −1.21 e Å^−3
254 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I302	0.58664 (3)	0.00260 (5)	0.26067 (3)	0.0690 (5)	0.922 (5)
I308	0.44134 (3)	0.53677 (11)	0.65842 (4)	0.0715 (7)	0.820 (11)
I309	0.45146 (9)	1.3910 (6)	0.7829 (2)	0.0800 (14)	0.5145
I303	0.60175 (3)	0.97455 (13)	0.40910 (4)	0.0634 (6)	0.789 (12)
I307	0.44129 (3)	0.53337 (14)	0.55283 (3)	0.0784 (7)	0.820 (11)
I305	0.62122 (5)	0.1020 (3)	0.60015 (11)	0.0702 (7)	0.5494
I304	0.60630 (3)	0.89472 (10)	0.51257 (4)	0.0776 (8)	0.789 (12)
I310	0.39739 (7)	1.4653 (4)	0.73128 (15)	0.0781 (11)	0.5145
I301	0.63475 (2)	0.15942 (12)	0.25617 (4)	0.0895 (4)	0.922 (5)
I318	0.25372 (13)	0.0212 (5)	0.6042 (3)	0.0886 (15)	0.6091
I306	0.56717 (7)	−0.0020 (3)	0.56902 (13)	0.0753 (8)	0.5494
I312	0.41984 (8)	0.5074 (3)	0.94419 (14)	0.0904 (11)	0.5678
I317	0.30188 (7)	0.1720 (7)	0.5935 (2)	0.0881 (15)	0.6091
I311	0.46641 (6)	0.6705 (4)	0.93130 (13)	0.0918 (11)	0.5678
I313	0.27006 (2)	0.99249 (7)	0.74549 (4)	0.0841 (6)	0.798 (4)
I314	0.27150 (2)	0.92466 (9)	0.84955 (4)	0.0946 (5)	0.798 (4)
Zn31	0.60348 (2)	0.14845 (10)	0.26163 (3)	0.0611 (4)
Zn35	0.42149 (12)	1.3555 (6)	0.7523 (2)	0.0670 (6)	0.5145
Zn34	0.45271 (2)	0.59455 (9)	0.60913 (4)	0.0648 (4)
Zn36	0.43610 (11)	0.6530 (9)	0.9419 (4)	0.0693 (11)	0.5678
I315	0.28132 (5)	0.1094 (2)	0.94241 (6)	0.1247 (12)	0.658 (7)
Zn39	0.27116 (10)	0.1635 (6)	0.60373 (16)	0.065 (3)	0.6091
Zn33	0.58955 (7)	0.1203 (4)	0.57634 (15)	0.057 (2)	0.5494
Zn32	0.61479 (6)	0.87685 (19)	0.45695 (8)	0.0582 (8)	0.789 (12)
I316	0.22751 (7)	0.02463 (14)	0.89721 (8)	0.1418 (17)	0.658 (7)
Zn37	0.28196 (3)	0.90138 (12)	0.79591 (7)	0.0647 (6)	0.798 (4)
Zn38	0.25124 (8)	0.1374 (2)	0.91226 (10)	0.0868 (14)	0.658 (7)
N316	0.43656 (12)	1.1889 (5)	0.60245 (17)	0.047 (2)
N309	0.56723 (12)	0.5148 (6)	0.65270 (17)	0.050 (2)
N321	0.39706 (13)	0.9780 (6)	0.8321 (2)	0.053 (2)
N308	0.53967 (14)	0.4632 (6)	0.62733 (19)	0.055 (2)
N314	0.44266 (12)	1.0587 (5)	0.63409 (17)	0.0454 (19)
N315	0.44378 (12)	1.0564 (5)	0.57765 (18)	0.048 (2)
N310	0.54228 (14)	0.5976 (5)	0.65867 (18)	0.053 (2)
N303	0.60370 (13)	0.4281 (6)	0.39810 (19)	0.052 (2)
N323	0.42057 (14)	0.7337 (6)	0.9094 (2)	0.059 (2)
N318	0.42666 (15)	1.2841 (5)	0.71278 (19)	0.061 (3)
N302	0.59712 (14)	0.2886 (6)	0.41998 (19)	0.056 (2)
N319	0.41003 (16)	1.2571 (6)	0.7764 (2)	0.061 (3)
N328	0.26725 (13)	0.3102 (6)	0.7622 (2)	0.057 (2)
N313	0.45055 (14)	0.7332 (6)	0.6093 (2)	0.060 (2)
N317	0.43549 (16)	1.2789 (6)	0.48623 (19)	0.067 (3)
N306	0.58998 (16)	0.1853 (6)	0.5326 (2)	0.068 (3)
N301	0.60040 (14)	0.2124 (6)	0.3043 (2)	0.059 (2)
N311	0.58954 (14)	0.7702 (6)	0.72680 (19)	0.056 (2)
N312	0.47867 (14)	0.5768 (6)	0.6178 (2)	0.062 (2)
N304	0.60345 (13)	0.4143 (6)	0.4547 (2)	0.056 (2)
N326	0.27512 (14)	0.4473 (6)	0.7410 (2)	0.062 (2)
N320	0.36928 (14)	1.0294 (6)	0.8082 (2)	0.056 (2)
N307	0.57909 (17)	0.2240 (7)	0.6008 (2)	0.066 (3)
N327	0.27216 (13)	0.4363 (6)	0.7967 (2)	0.056 (2)
N333	0.22906 (15)	0.4745 (7)	0.4895 (2)	0.067 (3)
N305	0.61200 (15)	0.7416 (6)	0.4448 (2)	0.067 (3)
C345	0.43849 (16)	1.1902 (6)	0.5454 (2)	0.051 (3)
C344	0.43834 (14)	1.1447 (6)	0.6303 (2)	0.043 (2)
C360	0.38631 (16)	1.0366 (7)	0.8150 (2)	0.052 (3)
C327	0.56997 (15)	0.6490 (7)	0.6850 (2)	0.050 (2)
N322	0.37186 (14)	0.8988 (6)	0.8407 (2)	0.062 (2)
C324	0.55632 (17)	0.4557 (7)	0.6350 (2)	0.051 (3)
N334	0.20078 (17)	0.5165 (7)	0.4670 (3)	0.073 (3)
C325	0.55934 (16)	0.5846 (7)	0.6640 (2)	0.050 (3)
N331	0.25601 (16)	0.2464 (8)	0.5706 (2)	0.072 (3)
C326	0.53319 (16)	0.5363 (7)	0.6397 (2)	0.053 (3)
C352	0.43462 (15)	1.1934 (6)	0.6590 (2)	0.049 (2)
C343	0.43989 (15)	1.1423 (6)	0.5765 (2)	0.046 (2)
N332	0.20529 (15)	0.3892 (7)	0.5003 (3)	0.071 (3)
N336	0.14132 (16)	0.3925 (8)	0.4622 (3)	0.074 (3)
C361	0.38875 (15)	0.9110 (7)	0.8452 (2)	0.052 (2)
C334	0.51424 (17)	0.5497 (7)	0.6322 (2)	0.056 (3)
C342	0.44480 (14)	1.0166 (6)	0.6064 (2)	0.046 (2)
N330	0.27067 (15)	0.2292 (7)	0.6472 (2)	0.069 (3)
C357	0.39457 (16)	1.1162 (7)	0.8025 (2)	0.051 (3)
C348	0.43060 (17)	1.3173 (7)	0.5120 (2)	0.057 (3)
H348	0.425711	1.375529	0.509559	0.069*
C340	0.45096 (16)	0.8710 (7)	0.6373 (3)	0.055 (3)
H340	0.452145	0.901611	0.657529	0.066*
C331	0.56283 (16)	0.7258 (7)	0.6962 (2)	0.055 (3)
H331	0.550888	0.738008	0.689819	0.066*
C339	0.44740 (15)	0.9180 (6)	0.6076 (2)	0.048 (2)
C303	0.59965 (16)	0.2968 (7)	0.3633 (2)	0.052 (3)
C356	0.41136 (16)	1.1377 (7)	0.8143 (3)	0.055 (3)
H356	0.417797	1.103536	0.831444	0.066*
C306	0.60023 (16)	0.3412 (7)	0.3955 (2)	0.054 (3)
C321	0.56441 (17)	0.3740 (7)	0.6244 (2)	0.054 (3)
N325	0.28002 (15)	0.7634 (7)	0.7847 (3)	0.071 (3)
C316	0.59578 (17)	0.2777 (7)	0.4777 (2)	0.057 (3)
C330	0.57318 (17)	0.7837 (7)	0.7164 (2)	0.055 (3)
H330	0.568137	0.836574	0.723154	0.066*
N329	0.25290 (19)	0.2059 (6)	0.8686 (3)	0.092 (4)
C308	0.59920 (16)	0.3290 (7)	0.4493 (2)	0.055 (3)
C341	0.45269 (15)	0.7798 (7)	0.6362 (2)	0.052 (3)
H341	0.455613	0.748581	0.656273	0.062*
C379	0.26776 (16)	0.3511 (7)	0.7906 (3)	0.055 (3)
C319	0.58860 (19)	0.2827 (8)	0.6188 (3)	0.064 (3)
H319	0.600706	0.273545	0.623474	0.077*
C397	0.2177 (2)	0.5299 (8)	0.4718 (3)	0.067 (3)
C355	0.41883 (18)	1.2078 (7)	0.8015 (2)	0.057 (3)
H355	0.430421	1.222960	0.810194	0.069*
C363	0.39972 (17)	0.8488 (7)	0.8669 (3)	0.058 (3)
C309	0.60763 (16)	0.5590 (7)	0.4332 (2)	0.054 (3)
C307	0.60526 (16)	0.4616 (7)	0.4285 (3)	0.055 (3)
C362	0.36242 (17)	0.9580 (8)	0.8214 (3)	0.060 (3)
C353	0.42874 (18)	1.2800 (7)	0.6564 (2)	0.062 (3)
H353	0.427583	1.309940	0.635977	0.074*
C388	0.27131 (18)	0.3164 (8)	0.7065 (3)	0.063 (3)
C350	0.43309 (18)	1.2008 (7)	0.7153 (2)	0.062 (3)
H350	0.435314	1.173634	0.736232	0.074*
C337	0.44707 (18)	0.7777 (7)	0.5809 (3)	0.065 (3)
H337	0.445552	0.744223	0.561182	0.078*
C305	0.59618 (18)	0.1679 (8)	0.3306 (2)	0.065 (3)
H305	0.593156	0.106449	0.328149	0.078*
N324	0.30867 (16)	0.9187 (7)	0.8013 (3)	0.084 (3)
C365	0.42663 (19)	0.7780 (9)	0.8862 (3)	0.069 (3)
H365	0.438325	0.769560	0.884071	0.083*
C315	0.59334 (18)	0.1867 (7)	0.4769 (3)	0.065 (3)
H315	0.593743	0.153737	0.457586	0.078*
C351	0.43663 (17)	1.1526 (6)	0.6890 (2)	0.056 (3)
H351	0.440400	1.092286	0.691622	0.067*
C396	0.22208 (18)	0.4081 (9)	0.5038 (3)	0.068 (3)
C380	0.27140 (16)	0.3620 (7)	0.7380 (3)	0.057 (3)
C301	0.6036 (2)	0.2988 (7)	0.3083 (2)	0.069 (4)
H301	0.606077	0.331969	0.290169	0.083*
C320	0.58176 (19)	0.3586 (8)	0.6314 (3)	0.064 (3)
H320	0.589124	0.399180	0.644780	0.077*
C354	0.4245 (2)	1.3240 (8)	0.6829 (3)	0.074 (4)
H354	0.419959	1.382949	0.680344	0.089*
C329	0.59662 (18)	0.6970 (8)	0.7152 (3)	0.067 (3)
H329	0.608620	0.687014	0.721778	0.080*
C349	0.43233 (17)	1.2763 (7)	0.5422 (2)	0.056 (3)
H349	0.429329	1.307007	0.560361	0.067*
C381	0.26280 (17)	0.2982 (7)	0.8174 (3)	0.060 (3)
C338	0.4456 (2)	0.8689 (7)	0.5788 (3)	0.068 (4)
H338	0.443439	0.897988	0.558236	0.082*
C304	0.59610 (18)	0.2059 (7)	0.3593 (3)	0.063 (3)
H304	0.593629	0.171322	0.377104	0.076*
C378	0.27524 (16)	0.4808 (7)	0.7708 (3)	0.058 (3)
C364	0.41668 (19)	0.8352 (8)	0.8652 (3)	0.067 (3)
H364	0.421639	0.865944	0.849157	0.080*
C393	0.23399 (19)	0.3508 (10)	0.5262 (3)	0.075 (4)
C370	0.34395 (18)	0.9461 (8)	0.8142 (3)	0.068 (3)
C375	0.27762 (16)	0.5791 (7)	0.7750 (3)	0.061 (3)
C398	0.1952 (2)	0.4446 (9)	0.4812 (3)	0.071 (3)
C312	0.6133 (2)	0.6828 (9)	0.4698 (3)	0.079 (4)
H312	0.616077	0.704250	0.491588	0.094*
C333	0.50433 (19)	0.5108 (10)	0.6052 (3)	0.075 (4)
H333	0.509542	0.472541	0.591590	0.090*
C328	0.58730 (18)	0.6371 (8)	0.6947 (3)	0.066 (3)
H328	0.592853	0.587010	0.687035	0.079*
C390	0.2664 (2)	0.1864 (9)	0.6733 (3)	0.077 (4)
H390	0.263043	0.125425	0.670851	0.092*
C314	0.59028 (18)	0.1436 (7)	0.5049 (2)	0.063 (3)
H314	0.588317	0.080911	0.503984	0.075*
C302	0.60368 (19)	0.3430 (8)	0.3368 (3)	0.067 (3)
H302	0.606442	0.404862	0.338620	0.080*
C359	0.39377 (19)	1.2368 (8)	0.7655 (3)	0.065 (3)
H359	0.387568	1.270893	0.748065	0.078*
C385	0.25833 (18)	0.2105 (8)	0.8144 (3)	0.066 (3)
H385	0.258838	0.179548	0.794693	0.079*
C402	0.2218 (4)	0.7308 (15)	0.4211 (6)	0.134 (9)
H402	0.214838	0.761356	0.403569	0.161*
C310	0.60681 (19)	0.6191 (7)	0.4077 (3)	0.067 (3)
H310	0.604810	0.598456	0.385784	0.080*
C313	0.6108 (2)	0.5918 (8)	0.4644 (3)	0.071 (4)
H313	0.611197	0.552205	0.482325	0.085*
C336	0.48842 (19)	0.6141 (9)	0.6430 (3)	0.073 (4)
H336	0.482913	0.650318	0.656884	0.088*
C346	0.4433 (2)	1.1506 (8)	0.5184 (3)	0.082 (5)
H346	0.447650	1.091205	0.519903	0.099*
C399	0.2243 (2)	0.6110 (10)	0.4589 (3)	0.080 (4)
C406	0.1764 (2)	0.4268 (10)	0.4740 (3)	0.081 (4)
C332	0.4871 (2)	0.5271 (10)	0.5981 (3)	0.074 (4)
H332	0.480693	0.502699	0.578675	0.089*
C335	0.5058 (2)	0.6047 (10)	0.6509 (3)	0.080 (4)
H335	0.512046	0.635816	0.669032	0.096*
C391	0.2620 (2)	0.3004 (10)	0.5498 (4)	0.079 (4)
H391	0.274038	0.303111	0.550265	0.095*
C387	0.2758 (2)	0.3613 (9)	0.6800 (3)	0.087 (5)
H387	0.279025	0.422479	0.681581	0.104*
C389	0.2667 (2)	0.2258 (8)	0.7031 (3)	0.072 (4)
H389	0.263761	0.192821	0.720846	0.087*
C358	0.38545 (19)	1.1691 (9)	0.7783 (3)	0.069 (3)
H358	0.373543	1.158615	0.770652	0.082*
C384	0.25306 (19)	0.1665 (8)	0.8399 (3)	0.073 (4)
H384	0.249411	0.106015	0.837045	0.088*
C377	0.27944 (19)	0.7299 (9)	0.7548 (4)	0.075 (4)
H377	0.279766	0.769549	0.737108	0.090*
C392	0.2515 (2)	0.3521 (11)	0.5278 (3)	0.084 (4)
H392	0.256353	0.389530	0.513414	0.101*
C311	0.60895 (18)	0.7101 (8)	0.4143 (3)	0.068 (3)
H311	0.608212	0.751018	0.396692	0.081*
C374	0.2781 (2)	0.6175 (9)	0.8061 (4)	0.087 (4)
H374	0.277289	0.580459	0.824310	0.104*
C376	0.2784 (2)	0.6376 (9)	0.7489 (3)	0.080 (4)
H376	0.278141	0.614938	0.727525	0.096*
C373	0.2796 (2)	0.7097 (9)	0.8101 (4)	0.094 (5)
H373	0.280423	0.734742	0.831246	0.113*
C318	0.5899 (13)	0.2765 (13)	0.5313 (9)	0.082 (16)	0.57 (12)
H318	0.587891	0.308798	0.549900	0.099*	0.57 (12)
C400	0.2407 (3)	0.6394 (10)	0.4699 (3)	0.097 (6)
H400	0.248219	0.609608	0.486905	0.117*
C322	0.5542 (2)	0.3112 (9)	0.6062 (4)	0.090 (5)
H322	0.542050	0.317179	0.601975	0.108*
C386	0.2753 (2)	0.3148 (9)	0.6514 (3)	0.085 (5)
H386	0.278503	0.345660	0.633393	0.102*
C404	0.1510 (2)	0.3532 (12)	0.4867 (5)	0.109 (6)
H404	0.145954	0.315848	0.500817	0.130*
C408	0.1486 (2)	0.4481 (13)	0.4439 (5)	0.108 (6)
H408	0.141463	0.476676	0.426152	0.130*
C317	0.5925 (13)	0.3229 (14)	0.5051 (9)	0.082 (16)	0.57 (12)
H317	0.592174	0.386422	0.505254	0.099*	0.57 (12)
C347	0.4419 (2)	1.1962 (8)	0.4895 (3)	0.089 (5)
H347	0.445511	1.168215	0.471402	0.107*
C323	0.5623 (3)	0.2379 (11)	0.5939 (4)	0.092 (5)
H323	0.555347	0.196665	0.580034	0.110*
C368	0.3166 (2)	0.9724 (12)	0.7827 (6)	0.129 (9)
H368	0.309934	0.999590	0.764013	0.155*
C407	0.1656 (2)	0.4667 (13)	0.4488 (5)	0.110 (6)
H407	0.170048	0.507337	0.434857	0.131*
C372	0.3179 (3)	0.8763 (14)	0.8264 (5)	0.123 (8)
H372	0.312510	0.837040	0.839463	0.148*
C367	0.3932 (2)	0.8051 (12)	0.8929 (4)	0.094 (5)
H367	0.381676	0.814447	0.895838	0.112*
C369	0.3334 (2)	0.9889 (12)	0.7895 (5)	0.116 (7)
H369	0.338138	1.031760	0.776821	0.139*
C366	0.4038 (2)	0.7502 (11)	0.9130 (4)	0.097 (5)
H366	0.399492	0.721893	0.930369	0.117*
C483	0.2526 (9)	0.2968 (13)	0.8677 (10)	0.086 (11)	0.44 (6)
H483	0.247694	0.328554	0.883572	0.103*	0.44 (6)
N335	0.2368 (4)	0.7602 (10)	0.4306 (5)	0.149 (11)
C482	0.2592 (9)	0.3434 (17)	0.8447 (8)	0.086 (11)	0.44 (6)
H482	0.261295	0.405765	0.847202	0.103*	0.44 (6)
C403	0.2148 (3)	0.6588 (12)	0.4338 (5)	0.118 (7)
H403	0.203308	0.641424	0.425228	0.141*
I416	0.21244 (16)	0.0545 (6)	0.8699 (4)	0.235 (8)	0.342 (7)
Zn48	0.23893 (18)	0.1337 (4)	0.8986 (2)	0.104 (4)	0.342 (7)
I415	0.2644 (2)	0.0616 (7)	0.93470 (14)	0.259 (10)	0.342 (7)
I409	0.45162 (13)	1.3841 (7)	0.7875 (3)	0.105 (3)	0.4545
Zn45	0.42232 (14)	1.3540 (7)	0.7532 (3)	0.0670 (6)	0.4545
I410	0.40115 (12)	1.4794 (5)	0.73400 (18)	0.139 (5)	0.4545
I411	0.46546 (12)	0.6504 (7)	0.9355 (2)	0.166 (4)	0.4322
Zn46	0.43466 (15)	0.6537 (12)	0.9442 (6)	0.0693 (11)	0.4322
I412	0.41645 (16)	0.5143 (5)	0.9445 (2)	0.183 (5)	0.4322
Zn47	0.28364 (14)	0.8997 (7)	0.7778 (3)	0.091 (4)*	0.202 (4)
I413	0.27345 (8)	0.9688 (5)	0.72360 (18)	0.102 (2)*	0.202 (4)
I414	0.27167 (10)	0.9493 (6)	0.8285 (2)	0.120 (3)*	0.202 (4)
O3A	0.45888 (14)	0.9292 (7)	0.8073 (3)	0.070 (3)	0.7715
C1A	0.4597 (2)	0.6749 (8)	0.7375 (4)	0.070 (4)	0.7715
H1A	0.457731	0.613023	0.733149	0.084*	0.7715
O2A	0.47757 (17)	0.9713 (8)	0.7081 (3)	0.079 (3)	0.7715
O1A	0.50486 (15)	0.7554 (8)	0.8004 (3)	0.078 (3)	0.7715
H1AA	0.506686	0.745374	0.820552	0.118*	0.7715
C12A	0.4641 (2)	0.9898 (8)	0.7863 (4)	0.064 (4)	0.7715
C9A	0.4757 (2)	1.1017 (9)	0.7419 (4)	0.084 (6)	0.7715
H9A	0.479808	1.139828	0.726708	0.101*	0.7715
C6A	0.4737 (2)	0.7021 (8)	0.7610 (3)	0.071 (4)	0.7715
H6A	0.481145	0.658226	0.772490	0.085*	0.7715
C5A	0.47692 (16)	0.7917 (8)	0.7678 (3)	0.065 (4)	0.7715
C14A	0.4850 (3)	1.0254 (14)	0.6860 (5)	0.092 (6)	0.7715
H14A	0.485705	0.991022	0.666253	0.137*	0.7715
H14B	0.496587	1.044049	0.696370	0.137*	0.7715
H14C	0.477815	1.078484	0.680196	0.137*	0.7715
C4A	0.46555 (17)	0.8555 (8)	0.7504 (3)	0.054 (3)	0.7715
C8A	0.4739 (2)	1.0113 (8)	0.7361 (4)	0.068 (4)	0.7715
C11A	0.4661 (3)	1.0803 (9)	0.7924 (5)	0.098 (7)	0.7715
H11A	0.463775	1.104313	0.812303	0.118*	0.7715
C15A	0.4525 (4)	0.9618 (17)	0.8355 (6)	0.127 (10)	0.7715
H15A	0.442381	0.999476	0.828521	0.190*	0.7715
H15B	0.461513	0.997129	0.849135	0.190*	0.7715
H15C	0.449361	0.911098	0.848178	0.190*	0.7715
C7A	0.46819 (19)	0.9539 (9)	0.7580 (3)	0.059 (3)	0.7715
C2A	0.44881 (18)	0.7372 (8)	0.7207 (3)	0.063 (4)	0.7715
H2A	0.439220	0.718623	0.705044	0.076*	0.7715
C13A	0.4917 (2)	0.8207 (11)	0.7929 (5)	0.080 (5)	0.7715
H13A	0.496790	0.875469	0.785093	0.096*	0.7715
H13B	0.487429	0.836338	0.813140	0.096*	0.7715
I509	0.4622 (5)	1.390 (3)	0.7905 (11)	0.080*	0.0309
I510	0.4103 (7)	1.487 (4)	0.7410 (16)	0.080*	0.0309
Zn55	0.4323 (6)	1.363 (4)	0.7586 (17)	0.080*	0.0309
Zn42	0.6162 (3)	0.8803 (9)	0.4456 (8)	0.146 (11)	0.211 (12)
I403	0.60370 (18)	0.9622 (8)	0.3935 (8)	0.140 (7)	0.211 (12)
I404	0.6056 (2)	0.921 (2)	0.4978 (10)	0.226 (12)	0.211 (12)
I406	0.56322 (14)	0.0106 (5)	0.5642 (2)	0.157 (5)	0.4192
Zn43	0.58812 (14)	0.1206 (6)	0.57634 (19)	0.106 (6)	0.4192
I405	0.61851 (11)	0.0977 (7)	0.6047 (2)	0.135 (4)	0.4192
I506	0.5750 (6)	−0.001 (3)	0.5779 (12)	0.080*	0.0314
Zn53	0.5922 (7)	0.143 (4)	0.583 (2)	0.080*	0.0314
I505	0.6223 (6)	0.121 (4)	0.6141 (13)	0.080*	0.0314
I402	0.5966 (3)	−0.0015 (9)	0.2688 (4)	0.080*	0.078 (5)
I401	0.63706 (18)	0.1783 (13)	0.2668 (5)	0.080*	0.078 (5)
C371	0.3357 (2)	0.8904 (14)	0.8332 (5)	0.112 (7)
H371	0.342368	0.860936	0.851373	0.134*
C3A	0.45192 (16)	0.8280 (8)	0.7269 (3)	0.051 (3)	0.7715
H3A	0.444609	0.871328	0.714867	0.061*	0.7715
C401	0.2460 (3)	0.7164 (12)	0.4542 (6)	0.132 (10)
H401	0.257297	0.737676	0.461713	0.159*
C405	0.1689 (2)	0.3655 (13)	0.4924 (5)	0.111 (7)
H405	0.175934	0.331801	0.508870	0.134*
I407	0.4401 (2)	0.5421 (10)	0.5543 (4)	0.247 (17)	0.180 (11)
I408	0.4380 (2)	0.5497 (11)	0.6560 (5)	0.231 (15)	0.180 (11)
C10A	0.4713 (2)	1.1356 (10)	0.7699 (5)	0.098 (7)	0.7715
H10A	0.471895	1.198216	0.773687	0.118*	0.7715
Zn49	0.27225 (18)	0.1703 (9)	0.6036 (3)	0.073 (6)	0.3558
I418	0.2582 (2)	0.0177 (9)	0.6039 (5)	0.110 (5)	0.3558
I417	0.30282 (16)	0.1934 (13)	0.5945 (4)	0.108 (4)	0.3558
I518	0.2463 (5)	0.021 (3)	0.6067 (11)	0.080*	0.0351
I517	0.2963 (5)	0.145 (3)	0.5955 (11)	0.080*	0.0351
Zn59	0.2647 (11)	0.148 (7)	0.604 (3)	0.080*	0.0351
C395	0.2388 (2)	0.2442 (16)	0.5698 (5)	0.138 (10)
H395	0.234252	0.205903	0.584497	0.166*
C394	0.2278 (2)	0.2952 (16)	0.5488 (5)	0.137 (10)
H394	0.215769	0.293317	0.549266	0.165*
C383	0.2612 (7)	0.2863 (19)	0.8739 (6)	0.086 (11)	0.56 (6)
H383	0.264130	0.308770	0.895517	0.103*	0.56 (6)
C382	0.2653 (8)	0.3341 (18)	0.8486 (6)	0.086 (11)	0.56 (6)
H382	0.269826	0.392750	0.852342	0.103*	0.56 (6)
C417	0.5992 (12)	0.317 (2)	0.5083 (6)	0.082 (16)	0.43 (12)
H417	0.603551	0.376227	0.510887	0.099*	0.43 (12)
C418	0.5962 (12)	0.271 (2)	0.5343 (7)	0.082 (16)	0.43 (12)
H418	0.598579	0.298592	0.555080	0.099*	0.43 (12)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I302	0.1263 (14)	0.0355 (4)	0.0488 (5)	0.0068 (4)	0.0258 (6)	−0.0052 (3)
I308	0.1026 (11)	0.0320 (7)	0.0865 (12)	−0.0074 (6)	0.0348 (7)	−0.0002 (6)
I309	0.120 (3)	0.065 (2)	0.066 (3)	−0.027 (2)	0.047 (2)	−0.0341 (16)
I303	0.0822 (8)	0.0357 (7)	0.0712 (10)	0.0000 (5)	0.0104 (6)	0.0076 (5)
I307	0.1054 (14)	0.0464 (8)	0.0748 (12)	0.0054 (7)	−0.0083 (7)	−0.0296 (6)
I305	0.1098 (15)	0.0653 (14)	0.0437 (13)	0.0223 (11)	0.0364 (13)	0.0194 (11)
I304	0.1330 (13)	0.0407 (8)	0.0648 (11)	−0.0008 (6)	0.0334 (7)	−0.0106 (6)
I310	0.143 (3)	0.0298 (16)	0.075 (2)	0.0193 (12)	0.0563 (17)	0.0146 (12)
I301	0.0973 (8)	0.1044 (10)	0.0663 (8)	0.0182 (6)	0.0132 (6)	−0.0179 (7)
I318	0.122 (3)	0.0538 (15)	0.097 (3)	−0.0046 (19)	0.038 (2)	−0.0179 (14)
I306	0.134 (2)	0.0280 (10)	0.0704 (14)	0.0000 (13)	0.0363 (13)	0.0002 (9)
I312	0.199 (3)	0.0355 (15)	0.0378 (16)	−0.0021 (16)	0.0230 (15)	−0.0065 (10)
I317	0.079 (2)	0.107 (5)	0.079 (2)	0.0142 (16)	0.0142 (15)	−0.025 (2)
I311	0.0961 (19)	0.130 (2)	0.0484 (16)	0.0205 (18)	0.0090 (13)	−0.0325 (15)
I313	0.0752 (7)	0.0480 (6)	0.1243 (13)	−0.0008 (5)	0.0044 (7)	0.0277 (6)
I314	0.1245 (11)	0.0605 (7)	0.1082 (12)	−0.0002 (7)	0.0461 (8)	−0.0202 (7)
Zn31	0.1067 (12)	0.0437 (8)	0.0339 (7)	0.0136 (8)	0.0148 (7)	0.0019 (6)
Zn35	0.1438 (17)	0.0309 (7)	0.0383 (8)	−0.0072 (9)	0.0492 (10)	−0.0056 (6)
Zn34	0.0908 (11)	0.0283 (7)	0.0732 (10)	−0.0008 (7)	0.0082 (8)	−0.0068 (7)
Zn36	0.1413 (19)	0.0434 (8)	0.023 (2)	0.0234 (12)	0.0124 (15)	−0.0041 (9)
I315	0.195 (3)	0.1084 (17)	0.0853 (13)	0.0683 (18)	0.0660 (15)	0.0402 (12)
Zn39	0.086 (5)	0.057 (5)	0.050 (5)	0.012 (4)	0.007 (4)	0.005 (3)
Zn33	0.106 (4)	0.027 (4)	0.046 (4)	0.011 (3)	0.036 (3)	0.005 (3)
Zn32	0.0880 (19)	0.0308 (12)	0.0568 (14)	−0.0020 (11)	0.0155 (11)	−0.0005 (9)
I316	0.270 (4)	0.0627 (11)	0.123 (2)	−0.0493 (16)	0.119 (3)	−0.0357 (12)
Zn37	0.0755 (13)	0.0351 (10)	0.0843 (17)	−0.0026 (8)	0.0164 (11)	−0.0007 (9)
Zn38	0.166 (4)	0.0447 (15)	0.065 (2)	0.013 (2)	0.062 (2)	0.0060 (15)
N316	0.096 (6)	0.026 (4)	0.022 (3)	0.002 (4)	0.019 (4)	0.000 (3)
N309	0.092 (6)	0.040 (4)	0.020 (3)	−0.001 (4)	0.020 (4)	0.001 (3)
N321	0.092 (7)	0.037 (4)	0.034 (4)	0.003 (4)	0.018 (4)	0.006 (3)
N308	0.095 (7)	0.041 (5)	0.029 (4)	0.001 (5)	0.015 (4)	0.006 (3)
N314	0.087 (6)	0.029 (4)	0.024 (3)	−0.006 (4)	0.018 (4)	−0.003 (3)
N315	0.092 (6)	0.028 (4)	0.027 (4)	0.001 (4)	0.022 (4)	−0.005 (3)
N310	0.099 (7)	0.036 (4)	0.022 (4)	0.006 (4)	0.009 (4)	0.001 (3)
N303	0.090 (6)	0.038 (4)	0.032 (4)	0.005 (4)	0.019 (4)	0.003 (3)
N323	0.100 (8)	0.040 (5)	0.039 (5)	0.000 (5)	0.019 (5)	0.004 (4)
N318	0.136 (9)	0.026 (4)	0.031 (4)	−0.005 (5)	0.038 (5)	−0.001 (3)
N302	0.106 (7)	0.033 (4)	0.032 (4)	0.013 (4)	0.023 (4)	0.014 (3)
N319	0.120 (9)	0.033 (4)	0.037 (4)	0.008 (5)	0.035 (5)	0.005 (4)
N328	0.090 (7)	0.038 (5)	0.046 (5)	0.003 (4)	0.020 (4)	0.008 (4)
N313	0.103 (7)	0.029 (4)	0.046 (5)	−0.001 (4)	0.008 (5)	−0.001 (4)
N317	0.142 (9)	0.035 (5)	0.025 (4)	−0.015 (5)	0.019 (5)	−0.003 (3)
N306	0.141 (9)	0.035 (5)	0.036 (4)	0.015 (5)	0.034 (5)	0.005 (4)
N301	0.101 (7)	0.040 (5)	0.037 (4)	0.014 (5)	0.014 (4)	0.007 (4)
N311	0.095 (7)	0.048 (5)	0.027 (4)	0.004 (5)	0.015 (4)	−0.003 (4)
N312	0.093 (7)	0.033 (4)	0.057 (6)	−0.006 (4)	0.009 (5)	−0.001 (4)
N304	0.099 (7)	0.034 (4)	0.038 (4)	0.010 (4)	0.018 (4)	0.002 (4)
N326	0.088 (7)	0.039 (5)	0.063 (6)	0.005 (4)	0.026 (5)	0.015 (4)
N320	0.087 (7)	0.046 (5)	0.034 (4)	−0.007 (5)	0.008 (4)	0.001 (4)
N307	0.119 (9)	0.049 (5)	0.038 (5)	0.008 (6)	0.036 (5)	−0.005 (4)
N327	0.087 (6)	0.035 (4)	0.047 (5)	−0.001 (4)	0.018 (4)	0.003 (4)
N333	0.108 (8)	0.059 (6)	0.040 (5)	−0.001 (6)	0.025 (5)	0.012 (4)
N305	0.110 (8)	0.041 (5)	0.051 (5)	0.004 (5)	0.019 (5)	0.003 (4)
C345	0.098 (8)	0.027 (5)	0.032 (5)	−0.006 (5)	0.019 (5)	−0.003 (4)
C344	0.081 (7)	0.031 (5)	0.020 (4)	−0.003 (4)	0.015 (4)	−0.002 (3)
C360	0.090 (8)	0.038 (5)	0.029 (5)	0.007 (5)	0.017 (5)	0.005 (4)
C327	0.085 (8)	0.039 (5)	0.031 (5)	−0.002 (5)	0.020 (5)	−0.001 (4)
N322	0.089 (7)	0.048 (5)	0.048 (5)	−0.009 (5)	0.009 (5)	0.010 (4)
C324	0.095 (9)	0.034 (5)	0.027 (4)	0.003 (5)	0.017 (5)	0.001 (4)
N334	0.115 (10)	0.054 (6)	0.056 (6)	0.004 (6)	0.029 (6)	0.007 (5)
C325	0.095 (8)	0.038 (5)	0.019 (4)	0.002 (5)	0.013 (4)	0.001 (4)
N331	0.098 (8)	0.071 (7)	0.054 (6)	0.008 (6)	0.031 (5)	0.013 (5)
C326	0.093 (8)	0.044 (6)	0.024 (4)	0.001 (5)	0.016 (5)	0.003 (4)
C352	0.093 (8)	0.030 (5)	0.027 (4)	−0.003 (5)	0.020 (4)	−0.001 (4)
C343	0.095 (8)	0.027 (4)	0.021 (4)	−0.004 (4)	0.022 (4)	0.000 (3)
N332	0.095 (8)	0.058 (6)	0.060 (6)	−0.007 (6)	0.011 (5)	0.018 (5)
N336	0.101 (8)	0.060 (6)	0.064 (6)	0.003 (6)	0.017 (6)	0.004 (5)
C361	0.078 (7)	0.042 (5)	0.036 (5)	−0.007 (5)	0.010 (5)	0.005 (4)
C334	0.095 (8)	0.040 (5)	0.034 (5)	0.002 (5)	0.018 (5)	0.002 (4)
C342	0.079 (7)	0.032 (5)	0.028 (4)	0.000 (4)	0.008 (4)	−0.002 (4)
N330	0.106 (8)	0.048 (6)	0.054 (6)	0.014 (5)	0.022 (5)	0.010 (4)
C357	0.093 (8)	0.038 (5)	0.023 (4)	0.004 (5)	0.018 (5)	0.005 (4)
C348	0.112 (9)	0.037 (5)	0.022 (4)	0.000 (5)	0.013 (5)	0.004 (4)
C340	0.100 (8)	0.028 (5)	0.039 (5)	−0.002 (5)	0.020 (5)	0.001 (4)
C331	0.088 (8)	0.042 (5)	0.039 (5)	0.004 (5)	0.025 (5)	−0.004 (4)
C339	0.092 (7)	0.030 (5)	0.025 (4)	0.000 (5)	0.019 (4)	−0.006 (4)
C303	0.093 (8)	0.035 (5)	0.029 (5)	0.012 (5)	0.014 (5)	0.005 (4)
C356	0.087 (8)	0.040 (5)	0.039 (5)	0.004 (5)	0.015 (5)	0.000 (4)
C306	0.094 (8)	0.038 (5)	0.030 (5)	0.011 (5)	0.016 (5)	0.007 (4)
C321	0.097 (9)	0.037 (5)	0.031 (5)	−0.001 (5)	0.021 (5)	0.002 (4)
N325	0.089 (7)	0.039 (5)	0.085 (8)	−0.004 (5)	0.015 (6)	0.002 (5)
C316	0.110 (9)	0.033 (5)	0.032 (5)	0.017 (5)	0.023 (5)	0.002 (4)
C330	0.097 (9)	0.049 (6)	0.026 (4)	−0.003 (6)	0.030 (5)	−0.007 (4)
N329	0.193 (14)	0.033 (5)	0.069 (7)	0.009 (6)	0.076 (8)	0.002 (5)
C308	0.097 (8)	0.036 (5)	0.035 (5)	0.013 (5)	0.021 (5)	0.010 (4)
C341	0.090 (8)	0.031 (5)	0.035 (5)	0.001 (5)	0.014 (5)	0.004 (4)
C379	0.091 (8)	0.038 (5)	0.041 (5)	0.011 (5)	0.023 (5)	0.003 (4)
C319	0.110 (10)	0.049 (6)	0.038 (5)	0.014 (6)	0.023 (6)	−0.003 (5)
C397	0.109 (11)	0.050 (7)	0.048 (6)	−0.005 (7)	0.029 (6)	−0.003 (5)
C355	0.106 (9)	0.034 (5)	0.035 (5)	−0.002 (5)	0.021 (5)	−0.009 (4)
C363	0.097 (9)	0.039 (6)	0.038 (5)	−0.007 (5)	0.012 (5)	0.012 (4)
C309	0.095 (8)	0.032 (5)	0.036 (5)	0.007 (5)	0.015 (5)	0.003 (4)
C307	0.089 (8)	0.034 (5)	0.044 (5)	0.008 (5)	0.018 (5)	0.001 (4)
C362	0.090 (8)	0.048 (6)	0.042 (6)	−0.007 (6)	0.011 (5)	0.005 (5)
C353	0.131 (10)	0.034 (5)	0.029 (5)	0.005 (6)	0.036 (6)	0.000 (4)
C388	0.096 (9)	0.043 (6)	0.055 (6)	0.010 (6)	0.026 (6)	0.011 (5)
C350	0.121 (10)	0.042 (6)	0.026 (5)	0.006 (6)	0.026 (5)	0.000 (4)
C337	0.119 (10)	0.039 (6)	0.034 (5)	0.007 (6)	0.008 (6)	−0.010 (4)
C305	0.116 (10)	0.050 (6)	0.031 (5)	−0.007 (6)	0.015 (5)	0.007 (5)
N324	0.089 (8)	0.047 (6)	0.114 (10)	−0.012 (6)	0.010 (7)	−0.001 (6)
C365	0.100 (9)	0.065 (8)	0.049 (6)	0.013 (7)	0.032 (6)	0.018 (6)
C315	0.120 (10)	0.040 (6)	0.040 (6)	0.007 (6)	0.027 (6)	−0.006 (5)
C351	0.117 (9)	0.026 (5)	0.027 (4)	0.006 (5)	0.018 (5)	−0.004 (4)
C396	0.091 (9)	0.061 (7)	0.052 (7)	−0.008 (6)	0.015 (6)	0.018 (6)
C380	0.084 (8)	0.043 (6)	0.049 (6)	0.005 (5)	0.025 (5)	0.004 (5)
C301	0.149 (12)	0.036 (6)	0.028 (5)	0.011 (6)	0.031 (6)	0.007 (4)
C320	0.112 (10)	0.046 (6)	0.034 (5)	0.004 (6)	0.013 (6)	−0.007 (5)
C354	0.158 (13)	0.035 (6)	0.042 (6)	0.007 (7)	0.052 (7)	0.008 (5)
C329	0.085 (8)	0.056 (7)	0.056 (7)	0.014 (6)	0.001 (6)	−0.014 (6)
C349	0.110 (9)	0.033 (5)	0.027 (4)	0.000 (5)	0.019 (5)	−0.002 (4)
C381	0.096 (9)	0.033 (5)	0.055 (6)	0.006 (5)	0.021 (6)	0.002 (5)
C338	0.134 (11)	0.034 (5)	0.035 (5)	0.009 (6)	0.008 (6)	0.001 (4)
C304	0.119 (10)	0.035 (5)	0.036 (5)	−0.004 (6)	0.013 (6)	0.009 (4)
C378	0.077 (7)	0.037 (5)	0.058 (7)	0.003 (5)	0.009 (5)	0.006 (5)
C364	0.110 (10)	0.057 (7)	0.039 (6)	0.009 (7)	0.030 (6)	0.022 (5)
C393	0.094 (10)	0.069 (8)	0.065 (8)	0.001 (7)	0.019 (7)	0.029 (7)
C370	0.095 (9)	0.046 (6)	0.059 (7)	−0.002 (6)	0.004 (6)	0.006 (5)
C375	0.081 (8)	0.034 (5)	0.069 (7)	0.000 (5)	0.015 (6)	0.007 (5)
C398	0.105 (10)	0.055 (7)	0.055 (7)	0.000 (7)	0.019 (7)	0.017 (6)
C312	0.140 (13)	0.051 (7)	0.046 (6)	0.004 (7)	0.019 (7)	−0.003 (5)
C333	0.095 (10)	0.085 (10)	0.047 (6)	−0.002 (8)	0.014 (6)	−0.029 (6)
C328	0.102 (10)	0.053 (7)	0.038 (5)	0.019 (6)	0.001 (6)	−0.010 (5)
C390	0.122 (11)	0.049 (7)	0.063 (8)	0.000 (7)	0.026 (7)	0.008 (6)
C314	0.124 (10)	0.036 (5)	0.034 (5)	0.006 (6)	0.027 (6)	0.008 (4)
C302	0.128 (11)	0.041 (6)	0.035 (5)	0.014 (6)	0.026 (6)	0.001 (4)
C359	0.098 (10)	0.056 (7)	0.043 (6)	0.007 (7)	0.020 (6)	0.016 (5)
C385	0.107 (10)	0.040 (6)	0.057 (7)	−0.001 (6)	0.030 (6)	0.001 (5)
C402	0.21 (3)	0.090 (15)	0.123 (18)	0.001 (16)	0.093 (19)	0.046 (13)
C310	0.125 (11)	0.032 (5)	0.045 (6)	−0.003 (6)	0.020 (6)	0.002 (4)
C313	0.133 (12)	0.046 (6)	0.035 (5)	0.010 (7)	0.016 (6)	−0.001 (5)
C336	0.093 (10)	0.062 (8)	0.066 (8)	−0.001 (7)	0.020 (7)	−0.030 (6)
C346	0.180 (15)	0.034 (6)	0.037 (6)	0.011 (7)	0.033 (7)	0.001 (5)
C399	0.128 (13)	0.062 (8)	0.061 (8)	0.002 (8)	0.043 (8)	0.009 (6)
C406	0.108 (11)	0.071 (9)	0.060 (8)	0.005 (8)	0.007 (7)	0.023 (7)
C332	0.102 (10)	0.078 (9)	0.044 (6)	−0.001 (7)	0.017 (6)	−0.026 (6)
C335	0.103 (11)	0.078 (9)	0.058 (7)	0.010 (8)	0.011 (7)	−0.035 (7)
C391	0.088 (9)	0.069 (9)	0.085 (10)	−0.002 (7)	0.029 (7)	0.026 (7)
C387	0.156 (15)	0.047 (7)	0.066 (8)	−0.009 (8)	0.045 (9)	0.000 (6)
C389	0.132 (12)	0.042 (6)	0.045 (6)	−0.006 (7)	0.022 (7)	0.000 (5)
C358	0.087 (9)	0.057 (7)	0.063 (7)	0.008 (6)	0.018 (6)	0.018 (6)
C384	0.113 (10)	0.032 (6)	0.083 (9)	0.002 (6)	0.041 (8)	−0.001 (6)
C377	0.100 (10)	0.048 (7)	0.082 (9)	−0.002 (6)	0.027 (8)	0.013 (6)
C392	0.097 (11)	0.097 (11)	0.062 (8)	−0.006 (8)	0.024 (7)	0.031 (8)
C311	0.103 (10)	0.048 (7)	0.056 (7)	0.006 (6)	0.026 (6)	0.012 (5)
C374	0.136 (13)	0.044 (7)	0.085 (10)	−0.004 (8)	0.032 (9)	−0.001 (7)
C376	0.127 (12)	0.051 (7)	0.062 (8)	−0.004 (7)	0.020 (8)	0.012 (6)
C373	0.153 (15)	0.038 (7)	0.091 (11)	0.001 (8)	0.022 (10)	0.007 (7)
C318	0.19 (5)	0.030 (5)	0.039 (6)	0.021 (10)	0.047 (14)	0.004 (4)
C400	0.186 (18)	0.071 (9)	0.050 (7)	−0.026 (11)	0.061 (10)	−0.006 (7)
C322	0.104 (11)	0.054 (8)	0.113 (12)	−0.009 (7)	0.020 (9)	−0.038 (8)
C386	0.158 (14)	0.048 (7)	0.061 (8)	0.000 (8)	0.050 (8)	0.005 (6)
C404	0.107 (13)	0.083 (11)	0.124 (15)	−0.009 (10)	−0.009 (11)	0.034 (11)
C408	0.097 (12)	0.111 (14)	0.106 (13)	0.001 (10)	−0.011 (10)	0.052 (11)
C317	0.19 (5)	0.030 (5)	0.039 (6)	0.021 (10)	0.047 (14)	0.004 (4)
C347	0.202 (17)	0.044 (7)	0.032 (5)	−0.003 (8)	0.049 (8)	0.001 (5)
C323	0.135 (15)	0.076 (10)	0.067 (9)	−0.008 (9)	0.025 (9)	−0.044 (8)
C368	0.078 (11)	0.089 (12)	0.20 (2)	−0.012 (9)	−0.027 (12)	0.073 (14)
C407	0.107 (13)	0.113 (14)	0.106 (13)	0.001 (10)	0.012 (10)	0.070 (12)
C372	0.112 (14)	0.109 (15)	0.131 (17)	−0.022 (11)	−0.026 (12)	0.053 (13)
C367	0.103 (11)	0.108 (13)	0.073 (9)	−0.008 (9)	0.026 (8)	0.044 (9)
C369	0.097 (12)	0.085 (12)	0.153 (18)	−0.020 (9)	−0.012 (11)	0.064 (12)
C366	0.116 (12)	0.094 (11)	0.084 (10)	−0.003 (9)	0.023 (9)	0.066 (9)
C483	0.17 (3)	0.035 (6)	0.063 (8)	0.013 (12)	0.043 (14)	0.006 (6)
N335	0.31 (3)	0.049 (8)	0.130 (15)	0.000 (13)	0.15 (2)	0.013 (9)
C482	0.17 (3)	0.035 (6)	0.063 (8)	0.013 (12)	0.043 (14)	0.006 (6)
C403	0.166 (18)	0.080 (11)	0.120 (15)	0.026 (11)	0.063 (13)	0.059 (11)
I416	0.297 (11)	0.123 (5)	0.354 (16)	−0.109 (7)	0.249 (12)	−0.162 (8)
Zn48	0.207 (10)	0.043 (3)	0.089 (6)	0.010 (5)	0.102 (7)	−0.002 (3)
I415	0.54 (2)	0.180 (8)	0.081 (3)	0.248 (13)	0.135 (7)	0.077 (4)
I409	0.184 (6)	0.084 (4)	0.069 (3)	−0.071 (3)	0.087 (3)	−0.055 (3)
Zn45	0.1438 (17)	0.0309 (7)	0.0383 (8)	−0.0072 (9)	0.0492 (10)	−0.0056 (6)
I410	0.337 (13)	0.036 (2)	0.065 (3)	0.046 (5)	0.096 (5)	0.021 (2)
I411	0.207 (7)	0.231 (8)	0.052 (2)	0.142 (6)	−0.002 (3)	−0.042 (4)
Zn46	0.1413 (19)	0.0434 (8)	0.023 (2)	0.0234 (12)	0.0124 (15)	−0.0041 (9)
I412	0.462 (15)	0.042 (3)	0.041 (3)	−0.053 (5)	0.035 (5)	0.0001 (19)
O3A	0.077 (7)	0.055 (6)	0.085 (8)	0.000 (5)	0.032 (6)	−0.023 (6)
C1A	0.114 (12)	0.037 (7)	0.071 (10)	−0.007 (8)	0.050 (9)	−0.011 (7)
O2A	0.112 (9)	0.062 (7)	0.059 (6)	−0.017 (6)	0.003 (6)	0.030 (6)
O1A	0.100 (8)	0.076 (8)	0.066 (7)	0.022 (6)	0.033 (6)	0.039 (6)
C12A	0.073 (9)	0.036 (7)	0.080 (10)	0.002 (6)	0.005 (8)	−0.012 (7)
C9A	0.099 (12)	0.045 (9)	0.093 (12)	−0.017 (8)	−0.026 (10)	0.031 (9)
C6A	0.123 (13)	0.035 (7)	0.068 (9)	0.018 (8)	0.052 (9)	0.017 (7)
C5A	0.093 (10)	0.038 (7)	0.072 (9)	0.005 (7)	0.035 (8)	0.012 (7)
C14A	0.096 (13)	0.090 (14)	0.087 (13)	−0.016 (11)	0.012 (10)	0.047 (11)
C4A	0.074 (8)	0.041 (7)	0.052 (7)	0.002 (6)	0.020 (6)	0.001 (6)
C8A	0.082 (10)	0.041 (7)	0.075 (10)	−0.005 (7)	−0.004 (8)	0.014 (7)
C11A	0.101 (13)	0.054 (10)	0.123 (16)	0.009 (9)	−0.025 (12)	−0.043 (10)
C15A	0.16 (2)	0.106 (18)	0.14 (2)	−0.030 (16)	0.089 (17)	−0.073 (16)
C7A	0.068 (8)	0.036 (7)	0.069 (9)	−0.006 (6)	0.003 (7)	0.003 (6)
C2A	0.094 (10)	0.051 (8)	0.056 (8)	−0.014 (7)	0.041 (7)	−0.014 (7)
C13A	0.093 (12)	0.052 (9)	0.091 (12)	0.019 (8)	0.004 (10)	0.000 (9)
Zn42	0.132 (14)	0.074 (11)	0.23 (3)	0.025 (10)	0.023 (18)	−0.046 (14)
I403	0.120 (6)	0.052 (4)	0.23 (2)	−0.006 (4)	−0.025 (9)	0.027 (7)
I404	0.160 (9)	0.188 (16)	0.34 (3)	0.010 (10)	0.059 (14)	−0.155 (19)
I406	0.281 (11)	0.067 (4)	0.148 (7)	−0.033 (5)	0.110 (7)	−0.050 (4)
Zn43	0.256 (14)	0.047 (7)	0.030 (5)	0.025 (7)	0.070 (6)	0.012 (4)
I405	0.244 (8)	0.110 (4)	0.074 (3)	0.088 (5)	0.090 (3)	0.051 (2)
C371	0.083 (10)	0.134 (16)	0.112 (14)	−0.031 (10)	−0.003 (9)	0.058 (12)
C3A	0.077 (8)	0.048 (7)	0.038 (6)	−0.007 (6)	0.037 (6)	−0.002 (5)
C401	0.23 (2)	0.067 (11)	0.133 (17)	−0.070 (14)	0.115 (18)	−0.045 (12)
C405	0.108 (13)	0.105 (14)	0.115 (14)	−0.002 (10)	0.005 (10)	0.064 (12)
I407	0.145 (11)	0.096 (8)	0.44 (4)	0.046 (8)	−0.102 (14)	−0.166 (16)
I408	0.114 (8)	0.101 (9)	0.48 (4)	0.008 (6)	0.064 (11)	0.141 (16)
C10A	0.092 (12)	0.038 (9)	0.143 (18)	0.002 (8)	−0.034 (12)	−0.010 (10)
Zn49	0.123 (13)	0.051 (7)	0.052 (9)	0.012 (7)	0.034 (7)	−0.009 (5)
I418	0.196 (14)	0.055 (3)	0.097 (5)	0.001 (5)	0.075 (8)	−0.008 (3)
I417	0.133 (6)	0.099 (7)	0.098 (5)	0.021 (4)	0.040 (4)	−0.010 (4)
C395	0.100 (13)	0.17 (2)	0.147 (18)	0.011 (13)	0.023 (12)	0.111 (17)
C394	0.090 (11)	0.17 (2)	0.158 (19)	0.022 (12)	0.030 (11)	0.122 (17)
C383	0.17 (3)	0.035 (6)	0.063 (8)	0.013 (12)	0.043 (14)	0.006 (6)
C382	0.17 (3)	0.035 (6)	0.063 (8)	0.013 (12)	0.043 (14)	0.006 (6)
C417	0.19 (5)	0.030 (5)	0.039 (6)	0.021 (10)	0.047 (14)	0.004 (4)
C418	0.19 (5)	0.030 (5)	0.039 (6)	0.021 (10)	0.047 (14)	0.004 (4)

Geometric parameters (Å, º)

I302—Zn31	2.550 (2)	C388—C380	1.474 (16)
I308—Zn34	2.532 (2)	C388—C387	1.390 (17)
I309—Zn35	2.537 (9)	C388—C389	1.405 (17)
I303—Zn32	2.539 (3)	C350—H350	0.9500
I307—Zn34	2.531 (2)	C350—C351	1.379 (13)
I305—Zn33	2.536 (6)	C337—H337	0.9500
I304—Zn32	2.536 (3)	C337—C338	1.369 (15)
I310—Zn35	2.547 (9)	C305—H305	0.9500
I301—Zn31	2.522 (2)	C305—C304	1.324 (16)
I318—Zn39	2.536 (8)	N324—C368	1.34 (2)
I306—Zn33	2.523 (6)	N324—C372	1.32 (2)
I312—Zn36	2.536 (9)	N324—Zn47	2.064 (16)
I317—Zn39	2.536 (7)	C365—H365	0.9500
I311—Zn36	2.520 (9)	C365—C364	1.368 (17)
I313—Zn37	2.541 (3)	C315—H315	0.9500
I314—Zn37	2.538 (3)	C315—C314	1.388 (15)
Zn31—N301	2.069 (9)	C351—H351	0.9500
Zn31—N311^i	2.058 (9)	C396—C393	1.478 (18)
Zn31—I402	2.338 (12)	C301—H301	0.9500
Zn31—I401	2.657 (13)	C301—C302	1.360 (15)
Zn35—N318	2.063 (12)	C320—H320	0.9500
Zn35—N319	2.074 (13)	C354—H354	0.9500
Zn34—N313	2.080 (9)	C329—H329	0.9500
Zn34—N312	2.033 (11)	C329—C328	1.362 (17)
Zn34—I407	2.456 (14)	C349—H349	0.9500
Zn34—I408	2.531 (14)	C381—C385	1.358 (16)
Zn36—N323	2.051 (13)	C381—C482	1.39 (2)
Zn36—N317^ii	2.12 (2)	C381—C382	1.39 (2)
I315—Zn38	2.517 (6)	C338—H338	0.9500
Zn39—N331	2.071 (13)	C304—H304	0.9500
Zn39—N330	2.068 (12)	C378—C375	1.487 (15)
Zn33—N306	2.070 (10)	C364—H364	0.9500
Zn33—N307	2.101 (11)	C393—C392	1.37 (2)
Zn32—N305	2.087 (10)	C393—C394	1.41 (2)
Zn32—N336^iii	2.078 (13)	C370—C369	1.36 (2)
I316—Zn38	2.515 (6)	C370—C371	1.39 (2)
Zn37—N325	2.114 (10)	C375—C374	1.41 (2)
Zn37—N324	2.095 (12)	C375—C376	1.407 (17)
Zn38—N329	2.113 (10)	C398—C406	1.48 (2)
Zn38—N335^iv	2.130 (18)	C312—H312	0.9500
N316—C344	1.320 (11)	C312—C313	1.388 (18)
N316—C343	1.349 (11)	C333—H333	0.9500
N309—C324	1.357 (14)	C333—C332	1.36 (2)
N309—C325	1.341 (13)	C328—H328	0.9500
N321—C360	1.335 (14)	C390—H390	0.9500
N321—C361	1.361 (13)	C390—C389	1.369 (18)
N308—C324	1.301 (15)	C314—H314	0.9500
N308—C326	1.347 (14)	C302—H302	0.9500
N314—C344	1.333 (12)	C359—H359	0.9500
N314—C342	1.352 (12)	C359—C358	1.364 (18)
N315—C343	1.319 (12)	C385—H385	0.9500
N315—C342	1.326 (12)	C385—C384	1.374 (17)
N310—C325	1.339 (15)	C402—H402	0.9500
N310—C326	1.334 (14)	C402—N335	1.26 (4)
N303—C306	1.329 (14)	C402—C403	1.36 (3)
N303—C307	1.347 (13)	C310—H310	0.9500
N323—C365	1.329 (15)	C310—C311	1.393 (17)
N323—C366	1.380 (19)	C313—H313	0.9500
N323—Zn46	2.049 (15)	C336—H336	0.9500
N318—C350	1.342 (14)	C336—C335	1.36 (2)
N318—C354	1.364 (13)	C346—H346	0.9500
N318—Zn45	2.061 (13)	C346—C347	1.371 (16)
N318—Zn55	2.22 (6)	C399—C400	1.37 (2)
N302—C306	1.344 (13)	C399—C403	1.37 (2)
N302—C308	1.348 (13)	C406—C407	1.37 (2)
N319—C355	1.366 (15)	C406—C405	1.39 (2)
N319—C359	1.319 (17)	C332—H332	0.9500
N319—Zn45	2.072 (14)	C335—H335	0.9500
N328—C379	1.325 (14)	C391—H391	0.9500
N328—C380	1.358 (14)	C391—C392	1.36 (2)
N313—C341	1.304 (13)	C387—H387	0.9500
N313—C337	1.345 (14)	C387—C386	1.375 (19)
N317—C348	1.333 (14)	C389—H389	0.9500
N317—C347	1.333 (17)	C358—H358	0.9500
N317—Zn46^v	2.01 (3)	C384—H384	0.9500
N306—C314	1.316 (14)	C377—H377	0.9500
N306—C318	1.36 (2)	C377—C376	1.400 (19)
N306—Zn43	2.090 (12)	C392—H392	0.9500
N306—Zn53	2.16 (9)	C311—H311	0.9500
N306—C418	1.36 (2)	C374—H374	0.9500
N301—C305	1.374 (14)	C374—C373	1.391 (19)
N301—C301	1.322 (15)	C376—H376	0.9500
N311—C330	1.303 (15)	C373—H373	0.9500
N311—C329	1.354 (15)	C318—H318	0.9500
N312—C336	1.314 (16)	C318—C317	1.339 (19)
N312—C332	1.362 (16)	C400—H400	0.9500
N304—C308	1.328 (14)	C400—C401	1.42 (2)
N304—C307	1.328 (14)	C322—H322	0.9500
N326—C380	1.310 (15)	C322—C323	1.41 (2)
N326—C378	1.337 (15)	C386—H386	0.9500
N320—C360	1.327 (15)	C404—H404	0.9500
N320—C362	1.358 (14)	C404—C405	1.40 (2)
N307—C319	1.302 (17)	C408—H408	0.9500
N307—C323	1.32 (2)	C408—C407	1.35 (2)
N307—Zn43	2.046 (13)	C317—H317	0.9500
N307—Zn53	1.83 (9)	C347—H347	0.9500
N327—C379	1.332 (14)	C323—H323	0.9500
N327—C378	1.325 (15)	C368—H368	0.9500
N333—C397	1.342 (17)	C368—C369	1.33 (2)
N333—C396	1.325 (15)	C407—H407	0.9500
N305—C312	1.352 (16)	C372—H372	0.9500
N305—C311	1.336 (16)	C372—C371	1.40 (2)
N305—Zn42	2.100 (18)	C367—H367	0.9500
C345—C343	1.470 (12)	C367—C366	1.35 (2)
C345—C349	1.374 (15)	C369—H369	0.9500
C345—C346	1.380 (15)	C366—H366	0.9500
C344—C352	1.472 (12)	C483—H483	0.9500
C360—C357	1.494 (15)	C483—C482	1.36 (2)
C327—C325	1.462 (15)	N335—Zn48^i	2.097 (17)
C327—C331	1.395 (15)	N335—C401	1.29 (3)
C327—C328	1.367 (17)	C482—H482	0.9500
N322—C361	1.325 (15)	C403—H403	0.9500
N322—C362	1.331 (15)	I416—Zn48	2.515 (12)
C324—C321	1.481 (15)	Zn48—I415	2.527 (12)
N334—C397	1.329 (18)	I409—Zn45	2.534 (10)
N334—C398	1.340 (16)	Zn45—I410	2.545 (10)
N331—C391	1.329 (16)	I411—Zn46	2.519 (12)
N331—Zn49	2.052 (16)	Zn46—I412	2.532 (12)
N331—Zn59	2.07 (11)	Zn47—I413	2.484 (12)
N331—C395	1.36 (2)	Zn47—I414	2.569 (13)
C326—C334	1.486 (17)	O3A—C12A	1.375 (19)
C352—C353	1.373 (14)	O3A—C15A	1.441 (15)
C352—C351	1.376 (13)	C1A—H1A	0.9500
N332—C396	1.337 (17)	C1A—C6A	1.404 (15)
N332—C398	1.317 (16)	C1A—C2A	1.372 (15)
N336—C404	1.30 (2)	O2A—C14A	1.427 (16)
N336—C408	1.33 (2)	O2A—C8A	1.39 (2)
N336—Zn42^vi	1.99 (3)	O1A—H1AA	0.8400
C361—C363	1.469 (15)	O1A—C13A	1.417 (16)
C334—C333	1.378 (16)	C12A—C11A	1.380 (13)
C334—C335	1.383 (16)	C12A—C7A	1.384 (13)
C342—C339	1.488 (13)	C9A—H9A	0.9500
N330—C390	1.353 (16)	C9A—C8A	1.375 (13)
N330—C386	1.334 (17)	C9A—C10A	1.371 (14)
N330—Zn49	2.043 (15)	C6A—H6A	0.9500
N330—Zn59	2.15 (10)	C6A—C5A	1.383 (14)
C357—C356	1.368 (17)	C5A—C4A	1.419 (13)
C357—C358	1.380 (16)	C5A—C13A	1.489 (15)
C348—H348	0.9500	C14A—H14A	0.9800
C348—C349	1.384 (13)	C14A—H14B	0.9800
C340—H340	0.9500	C14A—H14C	0.9800
C340—C339	1.406 (14)	C4A—C7A	1.512 (17)
C340—C341	1.372 (14)	C4A—C3A	1.382 (14)
C331—H331	0.9500	C8A—C7A	1.382 (13)
C331—C330	1.372 (16)	C11A—H11A	0.9500
C339—C338	1.392 (14)	C11A—C10A	1.366 (14)
C303—C306	1.491 (13)	C15A—H15A	0.9800
C303—C304	1.392 (15)	C15A—H15B	0.9800
C303—C302	1.383 (15)	C15A—H15C	0.9800
C356—H356	0.9500	C2A—H2A	0.9500
C356—C355	1.356 (16)	C2A—C3A	1.396 (14)
C321—C320	1.368 (18)	C13A—H13A	0.9900
C321—C322	1.374 (18)	C13A—H13B	0.9900
N325—C377	1.338 (18)	I509—Zn55	2.526 (18)
N325—C373	1.331 (18)	I510—Zn55	2.554 (18)
N325—Zn47	2.084 (14)	Zn42—I403	2.536 (16)
C316—C308	1.472 (14)	Zn42—I404	2.537 (16)
C316—C315	1.374 (15)	I406—Zn43	2.545 (11)
C316—C317	1.39 (2)	Zn43—I405	2.503 (11)
C316—C417	1.39 (2)	I506—Zn53	2.538 (18)
C330—H330	0.9500	Zn53—I505	2.520 (18)
N329—C384	1.332 (17)	C371—H371	0.9500
N329—C483	1.36 (2)	C3A—H3A	0.9500
N329—Zn48	2.106 (12)	C401—H401	0.9500
N329—C383	1.37 (2)	C405—H405	0.9500
C341—H341	0.9500	C10A—H10A	0.9500
C379—C381	1.475 (15)	Zn49—I418	2.537 (12)
C319—H319	0.9500	Zn49—I417	2.529 (12)
C319—C320	1.399 (16)	I518—Zn59	2.40 (10)
C397—C399	1.459 (19)	I517—Zn59	2.58 (9)
C355—H355	0.9500	C395—H395	0.9500
C363—C364	1.368 (18)	C395—C394	1.35 (2)
C363—C367	1.433 (16)	C394—H394	0.9500
C309—C307	1.477 (14)	C383—H383	0.9500
C309—C310	1.385 (15)	C383—C382	1.36 (2)
C309—C313	1.369 (15)	C382—H382	0.9500
C362—C370	1.445 (19)	C417—H417	0.9500
C353—H353	0.9500	C417—C418	1.34 (2)
C353—C354	1.378 (14)	C418—H418	0.9500
I301—Zn31—I302	124.70 (7)	C385—C381—C379	123.2 (11)
N301—Zn31—I302	105.6 (3)	C385—C381—C482	117.1 (15)
N301—Zn31—I301	108.1 (3)	C385—C381—C382	116.7 (13)
N301—Zn31—I402	105.6 (5)	C482—C381—C379	118.5 (13)
N301—Zn31—I401	96.8 (6)	C382—C381—C379	119.3 (13)
N311^i—Zn31—I302	106.4 (3)	C339—C338—H338	120.8
N311^i—Zn31—I301	107.9 (3)	C337—C338—C339	118.5 (10)
N311^i—Zn31—N301	101.7 (3)	C337—C338—H338	120.8
N311^i—Zn31—I402	123.3 (6)	C303—C304—H304	120.3
N311^i—Zn31—I401	111.1 (5)	C305—C304—C303	119.5 (10)
I402—Zn31—I401	113.7 (6)	C305—C304—H304	120.3
I309—Zn35—I310	127.7 (4)	N326—C378—C375	117.4 (10)
N318—Zn35—I309	102.2 (5)	N327—C378—N326	126.5 (10)
N318—Zn35—I310	107.4 (5)	N327—C378—C375	115.9 (11)
N318—Zn35—N319	100.5 (5)	C363—C364—C365	121.1 (10)
N319—Zn35—I309	110.6 (6)	C363—C364—H364	119.4
N319—Zn35—I310	105.1 (5)	C365—C364—H364	119.4
I307—Zn34—I308	120.58 (9)	C392—C393—C396	123.0 (12)
N313—Zn34—I308	107.2 (3)	C392—C393—C394	116.3 (13)
N313—Zn34—I307	110.3 (3)	C394—C393—C396	120.6 (14)
N313—Zn34—I407	107.5 (5)	C369—C370—C362	124.2 (13)
N313—Zn34—I408	102.3 (5)	C369—C370—C371	115.2 (15)
N312—Zn34—I308	107.5 (3)	C371—C370—C362	120.6 (12)
N312—Zn34—I307	107.5 (3)	C374—C375—C378	119.6 (11)
N312—Zn34—N313	102.1 (4)	C376—C375—C378	123.0 (12)
N312—Zn34—I407	110.7 (6)	C376—C375—C374	117.3 (12)
N312—Zn34—I408	114.4 (6)	N334—C398—C406	116.8 (12)
I407—Zn34—I408	117.9 (7)	N332—C398—N334	124.0 (14)
I311—Zn36—I312	126.7 (6)	N332—C398—C406	119.2 (12)
N323—Zn36—I312	106.4 (5)	N305—C312—H312	119.3
N323—Zn36—I311	107.3 (6)	N305—C312—C313	121.4 (11)
N323—Zn36—N317^ii	101.0 (7)	C313—C312—H312	119.3
N317^ii—Zn36—I312	107.0 (6)	C334—C333—H333	119.9
N317^ii—Zn36—I311	105.7 (6)	C332—C333—C334	120.3 (12)
I318—Zn39—I317	125.4 (4)	C332—C333—H333	119.9
N331—Zn39—I318	104.9 (5)	C327—C328—H328	120.0
N331—Zn39—I317	108.3 (5)	C329—C328—C327	120.1 (11)
N330—Zn39—I318	107.4 (5)	C329—C328—H328	120.0
N330—Zn39—I317	106.8 (5)	N330—C390—H390	118.1
N330—Zn39—N331	101.7 (5)	N330—C390—C389	123.8 (13)
I306—Zn33—I305	126.1 (3)	C389—C390—H390	118.1
N306—Zn33—I305	103.2 (4)	N306—C314—C315	123.3 (10)
N306—Zn33—I306	110.7 (4)	N306—C314—H314	118.4
N306—Zn33—N307	98.6 (4)	C315—C314—H314	118.4
N307—Zn33—I305	109.5 (4)	C303—C302—H302	120.4
N307—Zn33—I306	105.5 (4)	C301—C302—C303	119.2 (11)
I304—Zn32—I303	121.39 (16)	C301—C302—H302	120.4
N305—Zn32—I303	110.9 (3)	N319—C359—H359	118.6
N305—Zn32—I304	106.8 (3)	N319—C359—C358	122.9 (11)
N336^iii—Zn32—I303	106.2 (3)	C358—C359—H359	118.6
N336^iii—Zn32—I304	108.3 (4)	C381—C385—H385	120.0
N336^iii—Zn32—N305	101.3 (5)	C381—C385—C384	120.0 (12)
I314—Zn37—I313	121.60 (10)	C384—C385—H385	120.0
N325—Zn37—I313	109.8 (3)	N335—C402—H402	117.4
N325—Zn37—I314	107.8 (3)	N335—C402—C403	125 (3)
N324—Zn37—I313	104.0 (4)	C403—C402—H402	117.4
N324—Zn37—I314	111.4 (4)	C309—C310—H310	120.2
N324—Zn37—N325	100.2 (5)	C309—C310—C311	119.6 (11)
I316—Zn38—I315	127.43 (18)	C311—C310—H310	120.2
N329—Zn38—I315	108.4 (5)	C309—C313—C312	120.3 (11)
N329—Zn38—I316	105.4 (4)	C309—C313—H313	119.9
N329—Zn38—N335^iv	94.6 (6)	C312—C313—H313	119.9
N335^iv—Zn38—I315	117.2 (9)	N312—C336—H336	117.5
N335^iv—Zn38—I316	98.6 (8)	N312—C336—C335	124.9 (12)
C344—N316—C343	116.0 (8)	C335—C336—H336	117.5
C325—N309—C324	114.1 (10)	C345—C346—H346	119.7
C360—N321—C361	113.0 (10)	C347—C346—C345	120.6 (11)
C324—N308—C326	114.2 (10)	C347—C346—H346	119.7
C344—N314—C342	114.5 (7)	C400—C399—C397	120.8 (15)
C343—N315—C342	116.5 (8)	C400—C399—C403	116.8 (16)
C326—N310—C325	114.8 (9)	C403—C399—C397	122.2 (17)
C306—N303—C307	115.1 (8)	C407—C406—C398	122.9 (14)
C365—N323—Zn36	121.6 (10)	C407—C406—C405	116.1 (16)
C365—N323—C366	117.7 (11)	C405—C406—C398	120.9 (13)
C365—N323—Zn46	125.8 (10)	N312—C332—H332	118.6
C366—N323—Zn36	120.4 (8)	C333—C332—N312	122.8 (11)
C366—N323—Zn46	116.1 (9)	C333—C332—H332	118.6
C350—N318—Zn35	122.9 (7)	C334—C335—H335	120.2
C350—N318—C354	117.5 (9)	C336—C335—C334	119.5 (12)
C350—N318—Zn45	121.4 (7)	C336—C335—H335	120.2
C350—N318—Zn55	114.2 (15)	N331—C391—H391	118.6
C354—N318—Zn35	119.4 (8)	N331—C391—C392	122.7 (14)
C354—N318—Zn45	120.8 (8)	C392—C391—H391	118.6
C354—N318—Zn55	121.8 (19)	C388—C387—H387	120.8
C306—N302—C308	114.7 (9)	C386—C387—C388	118.4 (13)
C355—N319—Zn35	123.2 (10)	C386—C387—H387	120.8
C355—N319—Zn45	121.2 (10)	C388—C389—H389	121.0
C359—N319—Zn35	118.6 (8)	C390—C389—C388	118.1 (12)
C359—N319—C355	118.1 (10)	C390—C389—H389	121.0
C359—N319—Zn45	120.5 (8)	C357—C358—H358	120.5
C379—N328—C380	115.4 (10)	C359—C358—C357	119.0 (13)
C341—N313—Zn34	122.5 (7)	C359—C358—H358	120.5
C341—N313—C337	117.9 (9)	N329—C384—C385	122.1 (11)
C337—N313—Zn34	119.6 (7)	N329—C384—H384	119.0
C348—N317—Zn36^v	123.3 (8)	C385—C384—H384	119.0
C348—N317—Zn46^v	121.0 (8)	N325—C377—H377	119.2
C347—N317—Zn36^v	118.0 (8)	N325—C377—C376	121.6 (12)
C347—N317—C348	118.3 (9)	C376—C377—H377	119.2
C347—N317—Zn46^v	120.5 (8)	C393—C392—H392	119.6
C314—N306—Zn33	123.7 (7)	C391—C392—C393	120.8 (13)
C314—N306—C318	116.0 (12)	C391—C392—H392	119.6
C314—N306—Zn43	124.1 (8)	N305—C311—C310	121.9 (11)
C314—N306—Zn53	134 (2)	N305—C311—H311	119.1
C314—N306—C418	115.3 (15)	C310—C311—H311	119.1
C318—N306—Zn33	120.3 (10)	C375—C374—H374	120.0
C418—N306—Zn43	117.8 (13)	C373—C374—C375	120.0 (14)
C305—N301—Zn31	122.9 (8)	C373—C374—H374	120.0
C301—N301—Zn31	120.7 (7)	C375—C376—H376	120.4
C301—N301—C305	116.2 (9)	C377—C376—C375	119.1 (13)
C330—N311—Zn31^iv	121.2 (7)	C377—C376—H376	120.4
C330—N311—C329	116.9 (10)	N325—C373—C374	121.2 (15)
C329—N311—Zn31^iv	121.7 (9)	N325—C373—H373	119.4
C336—N312—Zn34	121.1 (9)	C374—C373—H373	119.4
C336—N312—C332	115.7 (12)	N306—C318—H318	118.3
C332—N312—Zn34	123.2 (9)	C317—C318—N306	123.4 (16)
C308—N304—C307	115.7 (9)	C317—C318—H318	118.3
C380—N326—C378	114.8 (9)	C399—C400—H400	122.2
C360—N320—C362	115.9 (10)	C399—C400—C401	116 (2)
C319—N307—Zn33	122.7 (10)	C401—C400—H400	122.2
C319—N307—C323	118.2 (11)	C321—C322—H322	120.8
C319—N307—Zn43	125.4 (11)	C321—C322—C323	118.4 (15)
C319—N307—Zn53	111.7 (17)	C323—C322—H322	120.8
C323—N307—Zn33	118.4 (9)	N330—C386—C387	124.1 (12)
C323—N307—Zn43	115.7 (9)	N330—C386—H386	117.9
C323—N307—Zn53	129.1 (18)	C387—C386—H386	117.9
C378—N327—C379	113.9 (9)	N336—C404—H404	119.7
C396—N333—C397	114.8 (12)	N336—C404—C405	120.6 (17)
C312—N305—Zn32	117.0 (8)	C405—C404—H404	119.7
C312—N305—Zn42	129.7 (12)	N336—C408—H408	117.9
C311—N305—Zn32	124.4 (8)	N336—C408—C407	124.2 (15)
C311—N305—C312	118.7 (10)	C407—C408—H408	117.9
C311—N305—Zn42	111.4 (12)	C316—C317—H317	120.2
C349—C345—C343	120.8 (9)	C318—C317—C316	119.7 (16)
C349—C345—C346	117.8 (9)	C318—C317—H317	120.2
C346—C345—C343	121.4 (9)	N317—C347—C346	121.5 (11)
N316—C344—N314	125.0 (8)	N317—C347—H347	119.2
N316—C344—C352	117.4 (8)	C346—C347—H347	119.2
N314—C344—C352	117.6 (8)	N307—C323—C322	122.9 (14)
N321—C360—C357	115.8 (11)	N307—C323—H323	118.6
N320—C360—N321	125.8 (10)	C322—C323—H323	118.6
N320—C360—C357	118.4 (9)	N324—C368—H368	118.9
C331—C327—C325	121.3 (11)	C369—C368—N324	122.3 (17)
C328—C327—C325	122.0 (10)	C369—C368—H368	118.9
C328—C327—C331	116.8 (10)	C406—C407—H407	120.1
C361—N322—C362	115.8 (10)	C408—C407—C406	119.8 (15)
N309—C324—C321	115.7 (11)	C408—C407—H407	120.1
N308—C324—N309	126.5 (10)	N324—C372—H372	120.6
N308—C324—C321	117.8 (10)	N324—C372—C371	118.7 (18)
C397—N334—C398	117.1 (12)	C371—C372—H372	120.6
N309—C325—C327	118.0 (11)	C363—C367—H367	120.6
N310—C325—N309	124.7 (10)	C366—C367—C363	118.8 (15)
N310—C325—C327	117.3 (9)	C366—C367—H367	120.6
C391—N331—Zn39	124.7 (11)	C370—C369—H369	119.0
C391—N331—Zn49	121.6 (11)	C368—C369—C370	122.0 (16)
C391—N331—Zn59	140 (2)	C368—C369—H369	119.0
C391—N331—C395	117.9 (13)	N323—C366—H366	118.7
C395—N331—Zn49	120.5 (10)	C367—C366—N323	122.7 (12)
N308—C326—C334	117.6 (10)	C367—C366—H366	118.7
N310—C326—N308	125.7 (11)	N329—C483—H483	119.2
N310—C326—C334	116.6 (10)	C482—C483—N329	122 (2)
C353—C352—C344	121.0 (8)	C482—C483—H483	119.2
C353—C352—C351	118.2 (9)	C402—N335—Zn38^i	132 (2)
C351—C352—C344	120.8 (9)	C402—N335—Zn48^i	104 (2)
N316—C343—C345	117.4 (8)	C402—N335—C401	115.7 (18)
N315—C343—N316	123.4 (8)	C401—N335—Zn38^i	112 (2)
N315—C343—C345	119.1 (8)	C401—N335—Zn48^i	140 (2)
C398—N332—C396	114.7 (11)	C381—C482—H482	120.5
C404—N336—Zn32^vi	118.3 (12)	C483—C482—C381	119 (2)
C404—N336—C408	118.4 (15)	C483—C482—H482	120.5
C404—N336—Zn42^vi	130.0 (14)	C402—C403—C399	120 (2)
C408—N336—Zn32^vi	122.8 (11)	C402—C403—H403	119.9
C408—N336—Zn42^vi	111.5 (13)	C399—C403—H403	119.9
N321—C361—C363	116.0 (10)	N329—Zn48—I416	115.8 (6)
N322—C361—N321	126.0 (10)	N329—Zn48—I415	97.4 (6)
N322—C361—C363	117.9 (10)	N335^iv—Zn48—N329	95.7 (6)
C333—C334—C326	121.4 (10)	N335^iv—Zn48—I416	120.3 (10)
C333—C334—C335	116.6 (13)	N335^iv—Zn48—I415	95.1 (9)
C335—C334—C326	122.0 (11)	I416—Zn48—I415	126.1 (4)
N314—C342—C339	117.9 (8)	N318—Zn45—N319	100.6 (6)
N315—C342—N314	124.4 (9)	N318—Zn45—I409	106.5 (6)
N315—C342—C339	117.6 (8)	N318—Zn45—I410	108.1 (5)
C390—N330—Zn39	121.6 (9)	N319—Zn45—I409	108.5 (6)
C390—N330—Zn49	124.9 (10)	N319—Zn45—I410	109.1 (5)
C390—N330—Zn59	111 (3)	I409—Zn45—I410	122.0 (5)
C386—N330—Zn39	121.4 (9)	N323—Zn46—I411	109.1 (7)
C386—N330—C390	116.8 (11)	N323—Zn46—I412	104.3 (7)
C386—N330—Zn49	118.1 (9)	N317^ii—Zn46—N323	104.7 (10)
C386—N330—Zn59	132 (3)	N317^ii—Zn46—I411	104.5 (8)
C356—C357—C360	121.0 (9)	N317^ii—Zn46—I412	109.8 (8)
C356—C357—C358	118.4 (11)	I411—Zn46—I412	123.2 (9)
C358—C357—C360	120.6 (11)	N325—Zn47—I413	120.2 (6)
N317—C348—H348	118.5	N325—Zn47—I414	95.1 (6)
N317—C348—C349	123.0 (10)	N324—Zn47—N325	102.2 (6)
C349—C348—H348	118.5	N324—Zn47—I413	120.3 (7)
C339—C340—H340	120.9	N324—Zn47—I414	91.6 (6)
C341—C340—H340	120.9	I413—Zn47—I414	121.3 (5)
C341—C340—C339	118.2 (9)	C12A—O3A—C15A	118.9 (15)
C327—C331—H331	120.3	C6A—C1A—H1A	119.8
C330—C331—C327	119.5 (12)	C2A—C1A—H1A	119.8
C330—C331—H331	120.3	C2A—C1A—C6A	120.4 (10)
C340—C339—C342	122.1 (8)	C8A—O2A—C14A	117.9 (15)
C338—C339—C342	119.9 (9)	C13A—O1A—H1AA	109.5
C338—C339—C340	117.9 (9)	O3A—C12A—C11A	124.5 (13)
C304—C303—C306	120.9 (9)	O3A—C12A—C7A	115.4 (10)
C302—C303—C306	121.3 (10)	C11A—C12A—C7A	120.1 (13)
C302—C303—C304	117.7 (10)	C8A—C9A—H9A	120.7
C357—C356—H356	120.0	C10A—C9A—H9A	120.7
C355—C356—C357	120.0 (11)	C10A—C9A—C8A	118.6 (14)
C355—C356—H356	120.0	C1A—C6A—H6A	119.5
N303—C306—N302	124.9 (9)	C5A—C6A—C1A	121.1 (10)
N303—C306—C303	118.8 (9)	C5A—C6A—H6A	119.5
N302—C306—C303	116.3 (9)	C6A—C5A—C4A	118.0 (10)
C320—C321—C324	122.9 (11)	C6A—C5A—C13A	121.2 (11)
C320—C321—C322	117.9 (12)	C4A—C5A—C13A	120.7 (11)
C322—C321—C324	119.2 (12)	O2A—C14A—H14A	109.5
C377—N325—Zn37	124.1 (9)	O2A—C14A—H14B	109.5
C377—N325—Zn47	102.7 (9)	O2A—C14A—H14C	109.5
C373—N325—Zn37	115.2 (10)	H14A—C14A—H14B	109.5
C373—N325—C377	120.7 (12)	H14A—C14A—H14C	109.5
C373—N325—Zn47	136.3 (11)	H14B—C14A—H14C	109.5
C315—C316—C308	122.8 (9)	C5A—C4A—C7A	119.7 (11)
C315—C316—C317	117.1 (13)	C3A—C4A—C5A	120.4 (10)
C315—C316—C417	116.4 (15)	C3A—C4A—C7A	119.9 (11)
C317—C316—C308	119.5 (11)	C9A—C8A—O2A	122.8 (14)
C417—C316—C308	119.0 (13)	C9A—C8A—C7A	122.0 (15)
N311—C330—C331	123.7 (10)	C7A—C8A—O2A	115.3 (11)
N311—C330—H330	118.2	C12A—C11A—H11A	119.9
C331—C330—H330	118.2	C10A—C11A—C12A	120.2 (13)
C384—N329—Zn38	124.6 (8)	C10A—C11A—H11A	119.9
C384—N329—C483	115.0 (16)	O3A—C15A—H15A	109.5
C384—N329—Zn48	113.2 (9)	O3A—C15A—H15B	109.5
C384—N329—C383	117.1 (13)	O3A—C15A—H15C	109.5
C483—N329—Zn38	120.3 (14)	H15A—C15A—H15B	109.5
C383—N329—Zn48	129.7 (12)	H15A—C15A—H15C	109.5
N302—C308—C316	119.0 (10)	H15B—C15A—H15C	109.5
N304—C308—N302	124.7 (9)	C12A—C7A—C4A	120.8 (11)
N304—C308—C316	116.2 (9)	C8A—C7A—C12A	118.1 (13)
N313—C341—C340	124.1 (10)	C8A—C7A—C4A	121.0 (12)
N313—C341—H341	118.0	C1A—C2A—H2A	120.3
C340—C341—H341	118.0	C1A—C2A—C3A	119.5 (11)
N328—C379—N327	125.2 (10)	C3A—C2A—H2A	120.3
N328—C379—C381	117.2 (10)	O1A—C13A—C5A	114.0 (12)
N327—C379—C381	117.6 (9)	O1A—C13A—H13A	108.8
N307—C319—H319	118.6	O1A—C13A—H13B	108.8
N307—C319—C320	122.8 (14)	C5A—C13A—H13A	108.8
C320—C319—H319	118.6	C5A—C13A—H13B	108.8
N333—C397—C399	118.0 (14)	H13A—C13A—H13B	107.7
N334—C397—N333	123.1 (11)	N318—Zn55—I509	124 (3)
N334—C397—C399	118.8 (13)	N318—Zn55—I510	97 (2)
N319—C355—H355	119.3	I509—Zn55—I510	124 (3)
C356—C355—N319	121.4 (12)	N305—Zn42—I403	115.2 (10)
C356—C355—H355	119.3	N305—Zn42—I404	99.9 (8)
C364—C363—C361	122.6 (10)	N336^iii—Zn42—N305	104.0 (9)
C364—C363—C367	117.0 (11)	N336^iii—Zn42—I403	117.9 (11)
C367—C363—C361	120.2 (13)	N336^iii—Zn42—I404	98.1 (11)
C310—C309—C307	123.4 (10)	I403—Zn42—I404	118.7 (10)
C313—C309—C307	118.5 (9)	N306—Zn43—I406	107.2 (6)
C313—C309—C310	118.1 (10)	N306—Zn43—I405	105.5 (6)
N303—C307—C309	118.7 (9)	N307—Zn43—N306	99.7 (5)
N304—C307—N303	124.7 (10)	N307—Zn43—I406	105.2 (6)
N304—C307—C309	116.4 (9)	N307—Zn43—I405	104.8 (6)
N320—C362—C370	118.1 (11)	I405—Zn43—I406	130.3 (5)
N322—C362—N320	123.1 (12)	N306—Zn53—I506	103 (3)
N322—C362—C370	118.8 (10)	N306—Zn53—I505	117 (4)
C352—C353—H353	119.6	N307—Zn53—N306	104 (3)
C352—C353—C354	120.9 (9)	N307—Zn53—I506	105 (3)
C354—C353—H353	119.6	N307—Zn53—I505	115 (4)
C387—C388—C380	121.4 (11)	I505—Zn53—I506	112 (3)
C387—C388—C389	118.8 (12)	C370—C371—C372	121.9 (16)
C389—C388—C380	119.8 (10)	C370—C371—H371	119.1
N318—C350—H350	118.3	C372—C371—H371	119.1
N318—C350—C351	123.3 (9)	C4A—C3A—C2A	120.6 (10)
C351—C350—H350	118.3	C4A—C3A—H3A	119.7
N313—C337—H337	118.3	C2A—C3A—H3A	119.7
N313—C337—C338	123.3 (10)	C400—C401—H401	116.8
C338—C337—H337	118.3	N335—C401—C400	126 (2)
N301—C305—H305	118.2	N335—C401—H401	116.8
C304—C305—N301	123.6 (11)	C406—C405—C404	120.5 (15)
C304—C305—H305	118.2	C406—C405—H405	119.7
C368—N324—Zn37	124.9 (11)	C404—C405—H405	119.7
C368—N324—Zn47	108.1 (12)	C9A—C10A—H10A	119.6
C372—N324—Zn37	115.3 (12)	C11A—C10A—C9A	120.8 (13)
C372—N324—C368	119.7 (15)	C11A—C10A—H10A	119.6
C372—N324—Zn47	130.9 (12)	N331—Zn49—I418	106.3 (8)
N323—C365—H365	118.7	N331—Zn49—I417	108.8 (7)
N323—C365—C364	122.5 (13)	N330—Zn49—N331	103.2 (7)
C364—C365—H365	118.7	N330—Zn49—I418	106.8 (7)
C316—C315—H315	120.5	N330—Zn49—I417	106.4 (8)
C316—C315—C314	118.9 (10)	I417—Zn49—I418	123.5 (7)
C314—C315—H315	120.5	N331—Zn59—N330	99 (4)
C352—C351—C350	118.9 (9)	N331—Zn59—I518	118 (4)
C352—C351—H351	120.5	N331—Zn59—I517	97 (4)
C350—C351—H351	120.5	N330—Zn59—I518	117 (4)
N333—C396—N332	126.2 (12)	N330—Zn59—I517	93 (3)
N333—C396—C393	116.8 (13)	I518—Zn59—I517	127 (5)
N332—C396—C393	117.0 (11)	N331—C395—H395	119.1
N328—C380—C388	115.7 (10)	C394—C395—N331	121.8 (16)
N326—C380—N328	124.1 (10)	C394—C395—H395	119.1
N326—C380—C388	120.1 (10)	C393—C394—H394	119.8
N301—C301—H301	118.1	C395—C394—C393	120.4 (17)
N301—C301—C302	123.7 (10)	C395—C394—H394	119.8
C302—C301—H301	118.1	N329—C383—H383	119.8
C321—C320—C319	119.6 (12)	C382—C383—N329	120.5 (19)
C321—C320—H320	120.2	C382—C383—H383	119.8
C319—C320—H320	120.2	C381—C382—H382	119.7
N318—C354—C353	120.9 (11)	C383—C382—C381	120.7 (18)
N318—C354—H354	119.5	C383—C382—H382	119.7
C353—C354—H354	119.5	C316—C417—H417	120.3
N311—C329—H329	118.5	C418—C417—C316	119 (2)
N311—C329—C328	123.0 (12)	C418—C417—H417	120.3
C328—C329—H329	118.5	N306—C418—H418	118.2
C345—C349—C348	118.6 (9)	C417—C418—N306	124 (2)
C345—C349—H349	120.7	C417—C418—H418	118.2
C348—C349—H349	120.7
Zn31—N301—C305—C304	171.9 (11)	C307—C309—C313—C312	179.0 (14)
Zn31—N301—C301—C302	−172.7 (11)	C362—N320—C360—N321	3.4 (15)
Zn31^iv—N311—C330—C331	−172.1 (8)	C362—N320—C360—C357	−177.1 (9)
Zn31^iv—N311—C329—C328	173.3 (10)	C362—N322—C361—N321	0.3 (17)
Zn35—N318—C350—C351	−179.8 (11)	C362—N322—C361—C363	178.5 (10)
Zn35—N318—C354—C353	176.3 (12)	C362—C370—C369—C368	177 (2)
Zn35—N319—C355—C356	−172.8 (8)	C362—C370—C371—C372	−178.8 (19)
Zn35—N319—C359—C358	175.5 (10)	C353—C352—C351—C350	−1.6 (19)
Zn34—N313—C341—C340	−178.4 (10)	C388—C387—C386—N330	1 (3)
Zn34—N313—C337—C338	−179 (1)	C350—N318—C354—C353	0 (2)
Zn34—N312—C336—C335	179.0 (12)	C337—N313—C341—C340	3 (2)
Zn34—N312—C332—C333	−175.6 (11)	C305—N301—C301—C302	3 (2)
Zn36—N323—C365—C364	−177.0 (12)	N324—C368—C369—C370	6 (4)
Zn36—N323—C366—C367	177.9 (16)	N324—C372—C371—C370	−1 (4)
Zn36^v—N317—C348—C349	−171.4 (10)	C365—N323—C366—C367	4 (3)
Zn36^v—N317—C347—C346	174.3 (14)	C315—C316—C308—N302	11 (2)
Zn39—N331—C391—C392	178.3 (13)	C315—C316—C308—N304	−171.7 (13)
Zn39—N330—C390—C389	176.9 (12)	C315—C316—C317—C318	10 (6)
Zn39—N330—C386—C387	−177.9 (14)	C315—C316—C417—C418	−15 (6)
Zn33—N306—C314—C315	−169.3 (11)	C351—C352—C353—C354	−2 (2)
Zn33—N306—C318—C317	171 (3)	C396—N333—C397—N334	−4.3 (17)
Zn33—N307—C319—C320	171.0 (9)	C396—N333—C397—C399	172.3 (12)
Zn33—N307—C323—C322	−173.0 (13)	C396—N332—C398—N334	−2 (2)
Zn32—N305—C312—C313	176.5 (12)	C396—N332—C398—C406	176.4 (13)
Zn32—N305—C311—C310	−178.5 (11)	C396—C393—C392—C391	177.5 (16)
Zn32^vi—N336—C404—C405	−176.5 (16)	C396—C393—C394—C395	−179 (2)
Zn32^vi—N336—C408—C407	172.8 (18)	C380—N328—C379—N327	−1.0 (18)
Zn37—N325—C377—C376	179.2 (11)	C380—N328—C379—C381	178.1 (11)
Zn37—N325—C373—C374	178.8 (14)	C380—N326—C378—N327	0.6 (19)
Zn37—N324—C368—C369	172.1 (18)	C380—N326—C378—C375	−174.0 (11)
Zn37—N324—C372—C371	−174.9 (18)	C380—C388—C387—C386	−179.7 (15)
Zn38—N329—C384—C385	−163.7 (12)	C380—C388—C389—C390	178.8 (13)
Zn38—N329—C483—C482	158 (4)	C301—N301—C305—C304	−3 (2)
Zn38^i—N335—C401—C400	−174.2 (13)	C320—C321—C322—C323	−4 (2)
N316—C344—C352—C353	3.1 (17)	C354—N318—C350—C351	−4 (2)
N316—C344—C352—C351	−178.2 (11)	C329—N311—C330—C331	3.8 (15)
N309—C324—C321—C320	−0.7 (14)	C349—C345—C343—N316	−6.4 (17)
N309—C324—C321—C322	−179.5 (11)	C349—C345—C343—N315	171.6 (11)
N321—C360—C357—C356	−14.9 (14)	C349—C345—C346—C347	0 (2)
N321—C360—C357—C358	164.2 (10)	C381—C385—C384—N329	−3 (2)
N321—C361—C363—C364	−24.1 (16)	C304—C303—C306—N303	179.9 (12)
N321—C361—C363—C367	150.8 (13)	C304—C303—C306—N302	−0.1 (18)
N308—C324—C321—C320	−179.3 (9)	C304—C303—C302—C301	1 (2)
N308—C324—C321—C322	2.0 (15)	C378—N326—C380—N328	2.6 (18)
N308—C326—C334—C333	−23.2 (15)	C378—N326—C380—C388	−178.3 (11)
N308—C326—C334—C335	159.9 (12)	C378—N327—C379—N328	3.6 (18)
N314—C344—C352—C353	−174.6 (11)	C378—N327—C379—C381	−175.4 (11)
N314—C344—C352—C351	4.1 (17)	C378—C375—C374—C373	−177.5 (15)
N314—C342—C339—C340	−12.4 (17)	C378—C375—C376—C377	175.6 (13)
N314—C342—C339—C338	164.9 (12)	C364—C363—C367—C366	−3 (2)
N315—C342—C339—C340	171.3 (11)	C375—C374—C373—N325	3 (3)
N315—C342—C339—C338	−11.4 (17)	C398—N334—C397—N333	1.1 (18)
N310—C326—C334—C333	158.1 (11)	C398—N334—C397—C399	−175.5 (12)
N310—C326—C334—C335	−18.8 (16)	C398—N332—C396—N333	−1 (2)
N323—C365—C364—C363	−1 (2)	C398—N332—C396—C393	177.1 (13)
N318—C350—C351—C352	5 (2)	C398—C406—C407—C408	−179.4 (19)
N319—C359—C358—C357	−3 (2)	C398—C406—C405—C404	176.1 (18)
N328—C379—C381—C385	1.9 (19)	C312—N305—C311—C310	1 (2)
N328—C379—C381—C482	−165 (4)	C333—C334—C335—C336	3 (2)
N328—C379—C381—C382	172 (3)	C328—C327—C325—N309	−3.9 (14)
N313—C337—C338—C339	−2 (2)	C328—C327—C325—N310	173.3 (10)
N317—C348—C349—C345	−4 (2)	C328—C327—C331—C330	−1.2 (15)
N306—C318—C317—C316	−1 (5)	C390—N330—C386—C387	−1 (3)
N301—C305—C304—C303	3 (2)	C314—N306—C318—C317	−10 (6)
N301—C301—C302—C303	−2 (2)	C314—N306—C418—C417	13 (6)
N311—C329—C328—C327	−1 (2)	C302—C303—C306—N303	4.0 (18)
N312—C336—C335—C334	−3 (2)	C302—C303—C306—N302	−176.0 (12)
N326—C378—C375—C374	−179.2 (13)	C302—C303—C304—C305	−2 (2)
N326—C378—C375—C376	5 (2)	C359—N319—C355—C356	2.5 (15)
N320—C360—C357—C356	165.6 (10)	C385—C381—C482—C483	5 (6)
N320—C360—C357—C358	−15.3 (15)	C385—C381—C382—C383	−8 (5)
N320—C362—C370—C369	15 (2)	C402—N335—C401—C400	0 (3)
N320—C362—C370—C371	−162.7 (15)	C310—C309—C307—N303	5.9 (19)
N307—C319—C320—C321	−1.3 (17)	C310—C309—C307—N304	−168.8 (13)
N327—C379—C381—C385	−178.9 (13)	C310—C309—C313—C312	−1 (2)
N327—C379—C381—C482	14 (4)	C313—C309—C307—N303	−174.2 (12)
N327—C379—C381—C382	−9 (3)	C313—C309—C307—N304	11.1 (18)
N327—C378—C375—C374	5.6 (19)	C313—C309—C310—C311	−1 (2)
N327—C378—C375—C376	−170.0 (13)	C336—N312—C332—C333	5 (2)
N333—C397—C399—C400	−13.6 (19)	C346—C345—C343—N316	173.4 (13)
N333—C397—C399—C403	161.9 (15)	C346—C345—C343—N315	−8.5 (19)
N333—C396—C393—C392	−13 (2)	C346—C345—C349—C348	2.7 (19)
N333—C396—C393—C394	162.8 (18)	C399—C400—C401—N335	−1 (3)
N305—C312—C313—C309	3 (2)	C332—N312—C336—C335	−1 (2)
C345—C346—C347—N317	−1 (3)	C335—C334—C333—C332	0 (2)
C344—N316—C343—N315	3.7 (17)	C391—N331—C395—C394	0 (4)
C344—N316—C343—C345	−178.4 (10)	C387—C388—C380—N328	−178.3 (14)
C344—N314—C342—N315	3.7 (16)	C387—C388—C380—N326	3 (2)
C344—N314—C342—C339	−172.3 (10)	C387—C388—C389—C390	−1 (2)
C344—C352—C353—C354	176.9 (13)	C389—C388—C380—N328	1.7 (19)
C344—C352—C351—C350	179.7 (12)	C389—C388—C380—N326	−177.5 (13)
C360—N321—C361—N322	3.8 (15)	C389—C388—C387—C386	0 (2)
C360—N321—C361—C363	−174.5 (9)	C358—C357—C356—C355	−2.2 (16)
C360—N320—C362—N322	1.4 (16)	C384—N329—C483—C482	−27 (6)
C360—N320—C362—C370	−178.6 (10)	C384—N329—C383—C382	17 (4)
C360—C357—C356—C355	177.0 (9)	C377—N325—C373—C374	−2 (3)
C360—C357—C358—C359	−174.7 (11)	C392—C393—C394—C395	−2 (4)
C327—C331—C330—N311	−2.0 (15)	C311—N305—C312—C313	−3 (2)
N322—C361—C363—C364	157.5 (12)	C374—C375—C376—C377	0 (2)
N322—C361—C363—C367	−27.6 (17)	C376—C375—C374—C373	−2 (2)
N322—C362—C370—C369	−164.6 (16)	C373—N325—C377—C376	0 (2)
N322—C362—C370—C371	17 (2)	C318—N306—C314—C315	11 (5)
C324—N309—C325—N310	−0.6 (13)	C400—C399—C403—C402	0 (3)
C324—N309—C325—C327	176.4 (8)	C322—C321—C320—C319	2.9 (17)
C324—N308—C326—N310	−1.0 (14)	C386—N330—C390—C389	0 (2)
C324—N308—C326—C334	−179.7 (8)	C404—N336—C408—C407	0 (3)
C324—C321—C320—C319	−175.9 (10)	C408—N336—C404—C405	−4 (3)
C324—C321—C322—C323	174.5 (13)	C317—C316—C308—N302	−160 (5)
N334—C397—C399—C400	163.2 (13)	C317—C316—C308—N304	17 (5)
N334—C397—C399—C403	−21 (2)	C317—C316—C315—C314	−9 (5)
N334—C398—C406—C407	15 (2)	C347—N317—C348—C349	2 (2)
N334—C398—C406—C405	−166.8 (17)	C323—N307—C319—C320	1.1 (18)
C325—N309—C324—N308	3.3 (13)	C323—N307—Zn53—N306	65 (3)
C325—N309—C324—C321	−175.1 (8)	C323—N307—Zn53—I506	−43 (5)
C325—N310—C326—N308	3.3 (14)	C323—N307—Zn53—I505	−166 (2)
C325—N310—C326—C334	−178.1 (8)	C368—N324—C372—C371	1 (3)
C325—C327—C331—C330	178.5 (9)	C407—C406—C405—C404	−6 (3)
C325—C327—C328—C329	−177.4 (11)	C372—N324—C368—C369	−4 (4)
N331—C391—C392—C393	0 (3)	C367—C363—C364—C365	4 (2)
N331—C395—C394—C393	2 (4)	C369—C370—C371—C372	3 (3)
C326—N308—C324—N309	−2.5 (14)	C366—N323—C365—C364	−3 (2)
C326—N308—C324—C321	175.9 (8)	C483—N329—C384—C385	21 (4)
C326—N310—C325—N309	−2.4 (13)	N335—C402—C403—C399	−1 (4)
C326—N310—C325—C327	−179.4 (8)	C482—C381—C385—C384	−10 (4)
C326—C334—C333—C332	−177.2 (12)	C403—C402—N335—Zn38^i	173.6 (16)
C326—C334—C335—C336	−179.6 (12)	C403—C402—N335—Zn48^i	177 (2)
C352—C353—C354—N318	3 (2)	C403—C402—N335—C401	1 (4)
C343—N316—C344—N314	−1.8 (17)	C403—C399—C400—C401	1 (2)
C343—N316—C344—C352	−179.4 (10)	Zn48—N329—C384—C385	166.4 (12)
C343—N315—C342—N314	−2.1 (17)	Zn48—N329—C383—C382	−161 (2)
C343—N315—C342—C339	173.9 (10)	Zn48^i—N335—C401—C400	−174.3 (13)
C343—C345—C349—C348	−177.4 (11)	Zn45—N318—C350—C351	−178.1 (11)
C343—C345—C346—C347	179.9 (14)	Zn45—N318—C354—C353	174.5 (12)
N332—C396—C393—C392	168.1 (15)	Zn45—N319—C355—C356	−172.4 (8)
N332—C396—C393—C394	−16 (2)	Zn45—N319—C359—C358	174.9 (10)
N332—C398—C406—C407	−163.7 (17)	Zn46—N323—C365—C364	−175.3 (13)
N332—C398—C406—C405	14 (2)	Zn46—N323—C366—C367	176.9 (17)
N336—C404—C405—C406	7 (3)	Zn46^v—N317—C348—C349	−174.3 (10)
N336—C408—C407—C406	0 (4)	Zn46^v—N317—C347—C346	176.9 (14)
C361—N321—C360—N320	−5.7 (14)	Zn47—N325—C377—C376	175.3 (13)
C361—N321—C360—C357	174.8 (8)	Zn47—N325—C373—C374	−175.2 (13)
C361—N322—C362—N320	−3.0 (17)	Zn47—N324—C368—C369	−172 (2)
C361—N322—C362—C370	177.0 (11)	Zn47—N324—C372—C371	166.6 (16)
C361—C363—C364—C365	178.8 (12)	O3A—C12A—C11A—C10A	−179.6 (17)
C361—C363—C367—C366	−178.1 (15)	O3A—C12A—C7A—C4A	4 (2)
C334—C333—C332—N312	−4 (2)	O3A—C12A—C7A—C8A	−178.7 (14)
C342—N314—C344—N316	−1.6 (16)	C1A—C6A—C5A—C4A	0 (2)
C342—N314—C344—C352	175.9 (10)	C1A—C6A—C5A—C13A	179.7 (16)
C342—N315—C343—N316	−1.8 (17)	C1A—C2A—C3A—C4A	−2 (2)
C342—N315—C343—C345	−179.7 (10)	O2A—C8A—C7A—C12A	−179.4 (14)
C342—C339—C338—C337	−176.1 (12)	O2A—C8A—C7A—C4A	−2 (2)
N330—C390—C389—C388	1 (2)	C12A—C11A—C10A—C9A	−4 (3)
C357—C356—C355—N319	−1.3 (16)	C9A—C8A—C7A—C12A	0 (3)
C348—N317—C347—C346	1 (2)	C9A—C8A—C7A—C4A	177.0 (15)
C340—C339—C338—C337	1 (2)	C6A—C1A—C2A—C3A	1 (2)
C331—C327—C325—N309	176.3 (9)	C6A—C5A—C4A—C7A	177.7 (13)
C331—C327—C325—N310	−6.5 (13)	C6A—C5A—C4A—C3A	−1 (2)
C331—C327—C328—C329	2.4 (17)	C6A—C5A—C13A—O1A	20 (2)
C339—C340—C341—N313	−3 (2)	C5A—C4A—C7A—C12A	−74 (2)
C356—C357—C358—C359	4.5 (18)	C5A—C4A—C7A—C8A	109.4 (17)
C306—N303—C307—N304	−0.6 (18)	C5A—C4A—C3A—C2A	2 (2)
C306—N303—C307—C309	−174.8 (11)	C14A—O2A—C8A—C9A	6 (2)
C306—N302—C308—N304	2.0 (18)	C14A—O2A—C8A—C7A	−174.5 (15)
C306—N302—C308—C316	178.8 (11)	C4A—C5A—C13A—O1A	−160.4 (15)
C306—C303—C304—C305	−178.0 (12)	C8A—C9A—C10A—C11A	3 (3)
C306—C303—C302—C301	177.4 (12)	C11A—C12A—C7A—C4A	−177.8 (15)
C321—C322—C323—N307	4 (3)	C11A—C12A—C7A—C8A	−1 (2)
N325—C377—C376—C375	1 (2)	C15A—O3A—C12A—C11A	9 (3)
C316—C315—C314—N306	−2 (2)	C15A—O3A—C12A—C7A	−172.9 (18)
C316—C417—C418—N306	0 (6)	C7A—C12A—C11A—C10A	3 (3)
C330—N311—C329—C328	−2.5 (18)	C7A—C4A—C3A—C2A	−176.9 (12)
N329—C483—C482—C381	14 (7)	C2A—C1A—C6A—C5A	0 (2)
N329—C383—C382—C381	−7 (5)	C13A—C5A—C4A—C7A	−2 (2)
C308—N302—C306—N303	−5.5 (18)	C13A—C5A—C4A—C3A	179.4 (15)
C308—N302—C306—C303	174.5 (10)	Zn55—N318—C350—C351	−156 (2)
C308—N304—C307—N303	−2.5 (18)	Zn55—N318—C354—C353	150.1 (19)
C308—N304—C307—C309	171.9 (11)	Zn42—N305—C312—C313	−176.9 (15)
C308—C316—C315—C314	179.6 (13)	Zn42—N305—C311—C310	176.0 (14)
C308—C316—C317—C318	−178 (2)	Zn42^vi—N336—C404—C405	174.1 (18)
C308—C316—C417—C418	−180 (3)	Zn42^vi—N336—C408—C407	−178 (2)
C341—N313—C337—C338	0 (2)	Zn43—N306—C314—C315	−173.0 (11)
C341—C340—C339—C342	178.1 (11)	Zn43—N306—C418—C417	175 (3)
C341—C340—C339—C338	0.8 (18)	Zn43—N307—C319—C320	171.3 (9)
C379—N328—C380—N326	−2.4 (18)	Zn43—N307—C323—C322	−173.8 (14)
C379—N328—C380—C388	178.5 (11)	Zn53—N306—C314—C315	−161 (2)
C379—N327—C378—N326	−3.5 (18)	Zn53—N307—C319—C320	171 (3)
C379—N327—C378—C375	171.2 (11)	Zn53—N307—C323—C322	−170 (3)
C379—C381—C385—C384	−176.9 (13)	C371—C370—C369—C368	−5 (3)
C379—C381—C482—C483	172 (3)	C3A—C4A—C7A—C12A	105.3 (17)
C379—C381—C382—C383	−178 (3)	C3A—C4A—C7A—C8A	−71.6 (19)
C319—N307—C323—C322	−3 (2)	C405—C406—C407—C408	3 (3)
C319—N307—Zn53—N306	−103.4 (18)	C10A—C9A—C8A—O2A	178.2 (16)
C319—N307—Zn53—I506	149 (2)	C10A—C9A—C8A—C7A	−1 (3)
C319—N307—Zn53—I505	26 (4)	Zn49—N331—C391—C392	−179.5 (13)
C397—N333—C396—N332	5 (2)	Zn49—N331—C395—C394	179 (2)
C397—N333—C396—C393	−173.9 (12)	Zn49—N330—C390—C389	175.0 (13)
C397—N334—C398—N332	2 (2)	Zn49—N330—C386—C387	−176.4 (15)
C397—N334—C398—C406	−176.3 (12)	Zn59—N331—C391—C392	172 (5)
C397—C399—C400—C401	176.7 (13)	Zn59—N330—C390—C389	−171 (3)
C397—C399—C403—C402	−176.0 (18)	Zn59—N330—C386—C387	168 (3)
C355—N319—C359—C358	0.0 (18)	C395—N331—C391—C392	−1 (3)
C363—C367—C366—N323	−1 (3)	C394—C393—C392—C391	1 (3)
C309—C310—C311—N305	1 (2)	C383—N329—C384—C385	−12 (3)
C307—N303—C306—N302	4.8 (18)	C382—C381—C385—C384	13 (3)
C307—N303—C306—C303	−175.2 (11)	C417—C316—C308—N302	175 (5)
C307—N304—C308—N302	1.7 (18)	C417—C316—C308—N304	−8 (5)
C307—N304—C308—C316	−175.2 (11)	C417—C316—C315—C314	15 (5)
C307—C309—C310—C311	179.1 (13)	C418—N306—C314—C315	−13 (5)

Symmetry codes: (i) x, −y+1, z−1/2; (ii) x, −y+2, z+1/2; (iii) x+1/2, y+1/2, z; (iv) x, −y+1, z+1/2; (v) x, −y+2, z−1/2; (vi) x−1/2, y−1/2, z.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (25_1_96b)

Crystal data

C108H72I18N36Zn9·0.7(C15H16O3)	F(000) = 18296
Mr = 4917.61	Dx = 1.355 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 78.606 (2) Å	Cell parameters from 17826 reflections
b = 14.9668 (2) Å	θ = 2.2–72.3°
c = 41.6349 (6) Å	µ = 19.36 mm^−1
β = 100.127 (2)°	T = 100 K
V = 48219.6 (16) Å^3	Block, light yellow
Z = 8	0.18 × 0.17 × 0.07 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	44036 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	31577 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.067
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.2°
profile data from ω–scans	h = −94→94
Absorption correction: analytical CrysAlisPro 1.171.41.89a (Rigaku Oxford Diffraction, 2020) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −18→14
Tmin = 0.080, Tmax = 0.334	l = −50→50
220686 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.112	H-atom parameters constrained
wR(F^2) = 0.345	w = 1/[σ^2(Fo^2) + (0.164P)^2 + 1256.4186P] where P = (Fo^2 + 2Fc^2)/3
S = 1.05	(Δ/σ)max = 0.002
44036 reflections	Δρmax = 1.80 e Å^−3
1906 parameters	Δρmin = −1.23 e Å^−3
292 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I302	0.08617 (7)	−0.4970 (2)	−0.24110 (13)	0.0597 (12)	0.64 (2)
I316	0.45230 (15)	0.6062 (8)	0.7821 (2)	0.0856 (18)	0.4765
I318	0.44110 (2)	1.46259 (6)	0.65846 (3)	0.0857 (4)	0.9394 (19)
I317	0.44082 (2)	1.46515 (7)	0.55307 (3)	0.0894 (5)	0.9394 (19)
I315	0.39746 (9)	0.5341 (5)	0.73191 (19)	0.0776 (17)	0.4765
I305	0.10200 (3)	0.47600 (12)	−0.09119 (5)	0.0606 (4)	0.699 (3)
I313	0.42029 (10)	0.5052 (4)	0.44324 (16)	0.0906 (19)	0.4424
I304	0.12146 (6)	−0.3984 (2)	0.10097 (8)	0.0757 (13)	0.630 (19)
I303	0.06751 (7)	−0.5011 (2)	0.06762 (9)	0.0852 (13)	0.630 (19)
I301	0.13445 (7)	−0.3404 (4)	−0.24459 (12)	0.0797 (12)	0.64 (2)
I314	0.46674 (7)	0.6723 (7)	0.43234 (19)	0.0926 (19)	0.4424
I307	0.25472 (3)	0.01621 (9)	0.10388 (4)	0.1226 (6)
I306	0.10649 (4)	0.39598 (14)	0.01216 (5)	0.0782 (7)	0.699 (3)
I308	0.30224 (2)	0.17361 (13)	0.09482 (4)	0.1168 (5)
I311	0.26980 (4)	0.9910 (2)	0.24758 (9)	0.0694 (12)	0.495 (12)
I312	0.27168 (6)	0.9175 (2)	0.35086 (8)	0.0845 (12)	0.495 (12)
Zn38	0.4221 (2)	0.6414 (13)	0.7527 (3)	0.0652 (12)	0.4765
I310	0.28267 (4)	0.10814 (19)	0.44330 (7)	0.1258 (11)	0.762 (8)
I309	0.22896 (6)	0.02329 (15)	0.39851 (6)	0.1390 (14)	0.762 (8)
Zn31	0.10274 (11)	−0.3502 (4)	−0.23985 (17)	0.0492 (14)	0.64 (2)
Zn37	0.43610 (14)	0.6529 (7)	0.4434 (3)	0.0705 (6)	0.4424
Zn39	0.45249 (3)	1.40502 (10)	0.60904 (5)	0.0640 (5)	0.9394 (19)
Zn32	0.09050 (9)	−0.3819 (4)	0.07548 (14)	0.0563 (14)	0.630 (19)
Zn34	0.27143 (3)	0.16174 (15)	0.10381 (5)	0.0805 (6)
Zn33	0.11529 (6)	0.3783 (3)	−0.04289 (11)	0.0577 (10)	0.699 (3)
Zn35	0.25263 (7)	0.1367 (3)	0.41380 (10)	0.0930 (14)	0.762 (8)
Zn36	0.28205 (8)	0.8973 (4)	0.29746 (14)	0.0594 (14)	0.495 (12)
N328	0.44210 (14)	0.9425 (5)	0.63422 (19)	0.045 (2)
N327	0.43622 (15)	0.8106 (5)	0.60315 (19)	0.049 (2)
N323	0.41057 (18)	1.2582 (6)	0.2773 (2)	0.057 (3)
N326	0.44334 (16)	0.9437 (6)	0.5774 (2)	0.053 (3)
N332	0.53967 (17)	1.5355 (7)	0.6270 (2)	0.057 (3)
N329	0.42675 (17)	0.7155 (6)	0.7132 (2)	0.062 (3)
N334	0.56744 (16)	1.4848 (6)	0.6527 (2)	0.054 (3)
N330	0.45035 (17)	1.2666 (7)	0.6094 (2)	0.062 (3)
N322	0.39737 (16)	0.9781 (6)	0.3326 (2)	0.054 (3)
N302	0.10420 (16)	−0.0701 (6)	−0.1023 (2)	0.056 (3)
N333	0.54254 (17)	1.4014 (6)	0.6584 (2)	0.055 (3)
N303	0.09763 (18)	−0.2079 (6)	−0.0796 (2)	0.065 (3)
N331	0.47840 (17)	1.4214 (7)	0.6179 (3)	0.064 (3)
N315	0.26738 (17)	0.3087 (7)	0.2628 (3)	0.062 (3)
N336	0.5791 (2)	1.7763 (7)	0.6009 (3)	0.063 (3)
N314	0.27516 (16)	0.4450 (7)	0.2401 (3)	0.063 (3)
C399	0.5705 (2)	1.3497 (7)	0.6852 (3)	0.054 (3)
N325	0.43543 (18)	0.7206 (6)	0.4868 (2)	0.066 (3)
N305	0.09088 (19)	−0.3115 (7)	0.0327 (3)	0.072 (4)
N321	0.36976 (18)	1.0280 (7)	0.3083 (3)	0.063 (3)
C398	0.55641 (19)	1.5423 (7)	0.6346 (2)	0.049 (3)
O3A	0.4771 (2)	0.9704 (9)	0.2079 (3)	0.073 (4)	0.7003
N335	0.59027 (17)	1.2306 (7)	0.7269 (2)	0.054 (3)
N306	0.11235 (18)	0.2437 (8)	−0.0558 (3)	0.069 (3)
N301	0.10062 (17)	−0.2858 (7)	−0.1959 (3)	0.065 (3)
N324	0.42087 (18)	0.7329 (7)	0.4098 (2)	0.062 (3)
C375	0.43835 (19)	0.8087 (7)	0.5459 (2)	0.053 (3)
N316	0.27220 (16)	0.4339 (7)	0.2964 (3)	0.060 (3)
C388	0.44694 (17)	1.0822 (7)	0.6078 (2)	0.047 (3)
N304	0.10390 (17)	−0.0819 (7)	−0.0454 (3)	0.066 (3)
C363	0.39470 (18)	1.1167 (7)	0.3033 (2)	0.049 (3)
C380	0.44437 (18)	0.9837 (7)	0.6066 (2)	0.049 (3)
C381	0.43450 (18)	0.8069 (7)	0.6596 (2)	0.048 (3)
N310	0.23003 (19)	0.4763 (8)	−0.0087 (3)	0.072 (3)
C406	0.5647 (2)	1.6250 (8)	0.6241 (3)	0.061 (4)
C378	0.43971 (18)	0.8569 (7)	0.5767 (2)	0.050 (3)
C390	0.4523 (2)	1.2198 (7)	0.6365 (3)	0.057 (3)
H390	0.454834	1.250703	0.656744	0.069*
C397	0.5591 (2)	1.4142 (7)	0.6635 (2)	0.050 (3)
C361	0.38646 (18)	1.0352 (7)	0.3152 (3)	0.047 (3)
C367	0.4116 (2)	1.1365 (8)	0.3148 (3)	0.060 (3)
H367	0.418030	1.101290	0.331660	0.072*
C303	0.1002 (2)	−0.2029 (8)	−0.1364 (3)	0.058 (3)
C393	0.5141 (2)	1.4491 (8)	0.6316 (3)	0.057 (3)
C400	0.5631 (2)	1.2746 (8)	0.6958 (3)	0.057 (3)
H400	0.551115	1.262563	0.689270	0.068*
O2A	0.45865 (18)	0.9287 (8)	0.3076 (3)	0.067 (3)	0.7003
N317	0.2546 (2)	0.2066 (8)	0.3705 (3)	0.099 (5)
N320	0.37233 (19)	0.8972 (8)	0.3400 (3)	0.074 (3)
C370	0.4002 (2)	0.8474 (8)	0.3669 (3)	0.059 (3)
C308	0.1058 (2)	−0.0358 (7)	−0.0717 (3)	0.058 (3)
C386	0.4467 (2)	1.2209 (8)	0.5810 (3)	0.066 (4)
H386	0.445061	1.253775	0.561208	0.079*
C316	0.10825 (19)	0.0611 (7)	−0.0672 (3)	0.056 (3)
C373	0.4305 (2)	0.6824 (8)	0.5126 (3)	0.060 (4)
H373	0.425746	0.623908	0.510355	0.072*
N313	0.27036 (19)	0.2256 (8)	0.1471 (3)	0.075 (4)
N307	0.1414 (2)	0.3956 (9)	−0.0382 (3)	0.081 (4)
C366	0.4192 (2)	1.2078 (8)	0.3020 (3)	0.059 (3)
H366	0.430921	1.222115	0.310760	0.071*
C307	0.0999 (2)	−0.1693 (8)	−0.0506 (3)	0.060 (4)
C389	0.45084 (19)	1.1280 (7)	0.6371 (3)	0.054 (3)
H389	0.452483	1.096613	0.657293	0.065*
C379	0.43800 (17)	0.8559 (7)	0.6304 (2)	0.047 (3)
C401	0.5737 (2)	1.2166 (9)	0.7164 (3)	0.066 (4)
H401	0.568752	1.163711	0.723318	0.079*
C396	0.5332 (2)	1.4633 (8)	0.6393 (3)	0.056 (3)
C306	0.1007 (2)	−0.1558 (8)	−0.1044 (3)	0.060 (4)
N318	0.2802 (2)	0.7611 (8)	0.2833 (4)	0.087 (4)
N308	0.2061 (2)	0.3910 (9)	0.0003 (3)	0.079 (4)
C371	0.4171 (2)	0.8362 (9)	0.3662 (3)	0.069 (4)
H371	0.422386	0.868451	0.350945	0.083*
O1A	0.50499 (18)	0.7557 (9)	0.3005 (3)	0.074 (4)	0.7003
H1A	0.508271	0.740134	0.283151	0.111*	0.7003
N309	0.2016 (2)	0.5192 (8)	−0.0320 (3)	0.078 (4)
C362	0.3892 (2)	0.9106 (9)	0.3452 (3)	0.058 (3)
N312	0.25652 (19)	0.2426 (10)	0.0700 (3)	0.080 (3)
C383	0.4248 (2)	0.6771 (8)	0.6836 (3)	0.070 (4)
H383	0.420667	0.617390	0.681125	0.084*
C382	0.4286 (2)	0.7208 (7)	0.6569 (3)	0.062 (4)
H382	0.427049	0.691323	0.636439	0.075*
C403	0.5878 (2)	1.3623 (9)	0.6940 (3)	0.065 (4)
H403	0.593289	1.412454	0.686325	0.078*
C342	0.27142 (19)	0.3590 (9)	0.2383 (3)	0.059 (3)
C339	0.2712 (2)	0.3117 (9)	0.2070 (4)	0.073 (4)
C407	0.5817 (2)	1.6406 (9)	0.6312 (3)	0.066 (4)
H407	0.589079	1.600079	0.644556	0.080*
C384	0.4326 (2)	0.8001 (9)	0.7158 (3)	0.070 (4)
H384	0.434249	0.828318	0.736587	0.084*
C352	0.27761 (19)	0.5777 (8)	0.2744 (4)	0.061 (3)
C305	0.1039 (2)	−0.2003 (8)	−0.1921 (3)	0.076 (5)
H305	0.106547	−0.167659	−0.210164	0.091*
C408	0.5886 (2)	1.7177 (9)	0.6186 (3)	0.070 (4)
H408	0.600744	1.726853	0.623458	0.085*
C360	0.3629 (2)	0.9577 (8)	0.3212 (3)	0.064 (4)
C374	0.4320 (2)	0.7237 (7)	0.5422 (2)	0.060 (4)
H374	0.428641	0.693473	0.560152	0.072*
C385	0.4364 (2)	0.8471 (7)	0.6898 (3)	0.061 (4)
H385	0.440226	0.907172	0.692533	0.073*
C392	0.5061 (2)	1.3959 (10)	0.6504 (4)	0.076 (4)
H392	0.512598	1.366409	0.668760	0.091*
C309	0.0968 (2)	−0.2209 (8)	−0.0218 (3)	0.063 (4)
C387	0.4452 (2)	1.1317 (9)	0.5793 (3)	0.066 (4)
H387	0.442968	1.102641	0.558747	0.079*
C343	0.26819 (19)	0.3492 (8)	0.2903 (3)	0.057 (3)
C301	0.0965 (2)	−0.3318 (9)	−0.1697 (3)	0.071 (4)
H301	0.093628	−0.393347	−0.172206	0.085*
C302	0.0965 (2)	−0.2929 (8)	−0.1407 (3)	0.068 (4)
H302	0.093942	−0.327291	−0.123019	0.082*
C344	0.2753 (2)	0.4784 (8)	0.2702 (4)	0.065 (4)
C310	0.0938 (2)	−0.3115 (8)	−0.0230 (3)	0.066 (4)
H310	0.093648	−0.344408	−0.042576	0.079*
N311	0.2402 (3)	0.7605 (11)	−0.0636 (4)	0.103 (5)
C395	0.4871 (3)	1.4720 (11)	0.5978 (3)	0.076 (5)
H395	0.480742	1.496538	0.578353	0.091*
N319	0.3085 (2)	0.9154 (8)	0.3003 (5)	0.103 (6)
C318	0.1138 (3)	0.1858 (10)	−0.0308 (4)	0.089 (6)
H318	0.116354	0.207681	−0.009020	0.106*
C325	0.2186 (3)	0.5304 (10)	−0.0267 (4)	0.075 (4)
C304	0.1039 (2)	−0.1557 (9)	−0.1636 (3)	0.072 (4)
H304	0.106233	−0.093414	−0.162087	0.087*
C402	0.5971 (2)	1.3015 (10)	0.7142 (4)	0.072 (4)
H402	0.609223	1.309818	0.719569	0.087*
C376	0.4434 (3)	0.8487 (8)	0.5191 (3)	0.081 (5)
H376	0.447814	0.907954	0.520437	0.097*
C7A	0.4683 (2)	0.9531 (8)	0.2580 (4)	0.055 (4)	0.7003
C394	0.5043 (2)	1.4876 (12)	0.6050 (4)	0.081 (5)
H394	0.509540	1.525681	0.591324	0.097*
C372	0.4269 (2)	0.7775 (10)	0.3878 (4)	0.072 (4)
H372	0.438698	0.769688	0.386251	0.086*
C357	0.3441 (2)	0.9419 (10)	0.3135 (4)	0.083 (5)
C365	0.3934 (2)	1.2388 (10)	0.2669 (4)	0.075 (4)
H365	0.386909	1.274868	0.250419	0.090*
C3A	0.45149 (19)	0.8279 (8)	0.2270 (3)	0.047 (4)	0.7003
H3A	0.444065	0.871396	0.215274	0.057*	0.7003
C346	0.2589 (2)	0.2084 (9)	0.3149 (4)	0.075 (4)
H346	0.258735	0.177772	0.294877	0.090*
C364	0.3854 (2)	1.1692 (9)	0.2795 (4)	0.065 (4)
H364	0.373514	1.157396	0.271839	0.078*
C350	0.2790 (2)	0.7262 (10)	0.2542 (5)	0.084 (5)
H350	0.278903	0.765791	0.236344	0.101*
C326	0.2224 (2)	0.4087 (11)	0.0045 (4)	0.079 (5)
C324	0.1960 (3)	0.4469 (11)	−0.0189 (4)	0.084 (5)
C345	0.2638 (2)	0.2967 (9)	0.3182 (4)	0.070 (4)
C317	0.1118 (3)	0.0954 (10)	−0.0361 (4)	0.082 (5)
H317	0.112819	0.055954	−0.017996	0.098*
C4A	0.4654 (2)	0.8549 (7)	0.2504 (4)	0.048 (4)	0.7003
C327	0.2257 (3)	0.6107 (13)	−0.0388 (4)	0.098 (6)
C5A	0.4767 (2)	0.7911 (9)	0.2676 (4)	0.060 (4)	0.7003
C334	0.2342 (2)	0.3497 (11)	0.0265 (4)	0.081 (4)
C391	0.4882 (3)	1.3841 (11)	0.6426 (4)	0.082 (5)
H391	0.482858	1.346570	0.656365	0.099*
C335	0.2523 (3)	0.3507 (13)	0.0284 (4)	0.091 (5)
H335	0.257254	0.389329	0.014535	0.109*
C337	0.2664 (2)	0.1821 (11)	0.1728 (4)	0.082 (5)
H337	0.263305	0.120760	0.170614	0.099*
C312	0.0930 (3)	−0.2253 (9)	0.0326 (3)	0.112 (8)
H312	0.091956	−0.193699	0.051911	0.135*
C311	0.0909 (2)	−0.3523 (9)	0.0050 (3)	0.068 (4)
H311	0.088777	−0.414810	0.004144	0.082*
C1A	0.4593 (2)	0.6745 (8)	0.2375 (4)	0.061 (5)	0.7003
H1AA	0.457196	0.612742	0.233115	0.074*	0.7003
C340	0.2757 (3)	0.3548 (11)	0.1801 (4)	0.093 (6)
H340	0.279377	0.415302	0.181877	0.111*
C405	0.5542 (3)	1.6878 (10)	0.6061 (4)	0.082 (5)
H405	0.541994	1.681452	0.601873	0.098*
C336	0.2627 (3)	0.2976 (12)	0.0498 (4)	0.085 (4)
H336	0.274836	0.299693	0.050354	0.102*
C315	0.1073 (2)	0.1218 (9)	−0.0924 (3)	0.075 (5)
H315	0.105093	0.101272	−0.114334	0.090*
C321	0.1771 (3)	0.4275 (12)	−0.0265 (4)	0.082 (5)
C331	0.2424 (4)	0.6353 (12)	−0.0293 (5)	0.102 (7)
H331	0.249480	0.599474	−0.013445	0.122*
C351	0.2780 (3)	0.6352 (11)	0.2477 (4)	0.087 (5)
H351	0.277656	0.612631	0.226288	0.105*
C314	0.1095 (2)	0.2108 (9)	−0.0862 (3)	0.069 (4)
H314	0.108890	0.250960	−0.103983	0.082*
C12A	0.4742 (3)	1.0107 (9)	0.2358 (4)	0.062 (5)	0.7003
C8A	0.4641 (3)	0.9896 (9)	0.2869 (4)	0.061 (5)	0.7003
C338	0.2667 (2)	0.2239 (10)	0.2024 (4)	0.081 (5)
H338	0.263763	0.190683	0.220026	0.097*
C2A	0.4484 (2)	0.7379 (9)	0.2208 (4)	0.061 (5)	0.7003
H2A	0.438790	0.719743	0.204955	0.073*	0.7003
C9A	0.4658 (3)	1.0809 (11)	0.2929 (5)	0.083 (7)	0.7003
H9A	0.463105	1.105042	0.312571	0.099*	0.7003
C319	0.1494 (3)	0.4472 (18)	−0.0567 (5)	0.119 (8)
H319	0.142491	0.470090	−0.075997	0.143*
C377	0.4421 (3)	0.8018 (8)	0.4907 (3)	0.097 (7)
H377	0.446081	0.828875	0.472771	0.116*
C347	0.2540 (3)	0.1649 (10)	0.3415 (4)	0.086 (5)
H347	0.250239	0.104628	0.339190	0.104*
C341	0.2748 (3)	0.3098 (11)	0.1508 (4)	0.096 (6)
H341	0.277617	0.341321	0.132662	0.116*
C353	0.2790 (3)	0.6159 (11)	0.3048 (5)	0.100 (6)
H353	0.278881	0.578496	0.323217	0.120*
C313	0.0966 (4)	−0.1766 (8)	0.0068 (3)	0.122 (9)
H313	0.098980	−0.114417	0.008764	0.146*
C354	0.2807 (3)	0.7096 (11)	0.3094 (6)	0.109 (7)
H354	0.282112	0.734821	0.330605	0.131*
C11A	0.4757 (3)	1.1013 (10)	0.2423 (5)	0.079 (6)	0.7003
H11A	0.479827	1.139986	0.227243	0.094*	0.7003
C15A	0.4848 (3)	1.0221 (17)	0.1853 (6)	0.089 (8)	0.7003
H15A	0.482929	0.992142	0.164035	0.133*	0.7003
H15B	0.497191	1.028313	0.193381	0.133*	0.7003
H15C	0.479413	1.081473	0.182956	0.133*	0.7003
C404	0.5624 (3)	1.7622 (12)	0.5941 (4)	0.101 (6)
H404	0.555462	1.803941	0.580516	0.121*
C322	0.1693 (3)	0.3686 (17)	−0.0073 (6)	0.130 (9)
H322	0.175927	0.337816	0.010589	0.156*
C330	0.2499 (4)	0.7109 (12)	−0.0413 (6)	0.114 (8)
H330	0.261704	0.725786	−0.033661	0.137*
C323	0.1511 (3)	0.3564 (16)	−0.0152 (7)	0.136 (11)
H323	0.145936	0.315797	−0.002265	0.164*
C448	0.2515 (13)	0.296 (2)	0.3669 (16)	0.097 (12)	0.32 (7)
H448	0.244392	0.324738	0.379945	0.116*	0.32 (7)
C449	0.2586 (12)	0.344 (2)	0.3443 (12)	0.097 (12)	0.32 (7)
H449	0.259961	0.407130	0.346178	0.116*	0.32 (7)
C320	0.1665 (3)	0.4712 (15)	−0.0511 (6)	0.121 (8)
H320	0.170718	0.516167	−0.063653	0.145*
C13A	0.4916 (3)	0.8206 (13)	0.2932 (6)	0.074 (6)	0.7003
H13A	0.496541	0.876023	0.285603	0.089*	0.7003
H13B	0.487215	0.835077	0.313437	0.089*	0.7003
C328	0.2164 (3)	0.6648 (13)	−0.0625 (6)	0.116 (8)
H328	0.204559	0.651408	−0.069911	0.140*
C10A	0.4713 (3)	1.1361 (12)	0.2706 (5)	0.097 (8)	0.7003
H10A	0.472105	1.198581	0.274491	0.116*	0.7003
C369	0.3933 (3)	0.8006 (17)	0.3919 (5)	0.123 (9)
H369	0.381511	0.806512	0.394028	0.148*
C329	0.2237 (4)	0.7398 (18)	−0.0765 (6)	0.126 (9)
H329	0.217259	0.773297	−0.093952	0.151*
C368	0.4044 (3)	0.7470 (15)	0.4126 (5)	0.117 (8)
H368	0.400077	0.718207	0.429895	0.140*
C14A	0.4530 (5)	0.962 (2)	0.3363 (7)	0.121 (11)	0.7003
H14A	0.441735	0.991986	0.330063	0.182*	0.7003
H14B	0.461424	1.005531	0.347303	0.182*	0.7003
H14C	0.451840	0.912828	0.351165	0.182*	0.7003
C333	0.2280 (3)	0.2926 (18)	0.0483 (7)	0.148 (12)
H333	0.215941	0.287057	0.047637	0.177*
C332	0.2395 (3)	0.243 (2)	0.0711 (7)	0.165 (14)
H332	0.235245	0.210244	0.087500	0.198*
I416	0.45116 (15)	0.6155 (7)	0.7880 (2)	0.0843 (18)	0.4985
Zn48	0.4218 (2)	0.6485 (13)	0.7541 (3)	0.0652 (12)	0.4985
I415	0.40074 (14)	0.5219 (6)	0.7347 (2)	0.139 (5)	0.4985
I414	0.46672 (10)	0.6563 (7)	0.43457 (17)	0.141 (3)	0.5347
Zn47	0.43568 (12)	0.6527 (6)	0.4435 (2)	0.0705 (6)	0.5347
I413	0.41824 (12)	0.5120 (4)	0.44571 (12)	0.146 (4)	0.5347
I417	0.4345 (2)	1.4797 (12)	0.5755 (4)	0.080*	0.0606 (19)
Zn49	0.4526 (2)	1.4004 (12)	0.6237 (5)	0.080*	0.0606 (19)
I418	0.4387 (2)	1.4109 (13)	0.6750 (4)	0.080*	0.0606 (19)
I409	0.2137 (3)	0.0509 (9)	0.3715 (7)	0.294 (17)	0.238 (8)
Zn45	0.2400 (3)	0.1318 (7)	0.3996 (4)	0.143 (10)	0.238 (8)
I410	0.2653 (4)	0.0604 (12)	0.4344 (3)	0.32 (2)	0.238 (8)
I411	0.27212 (10)	0.9730 (5)	0.2274 (4)	0.193 (6)	0.505 (12)
Zn46	0.28302 (11)	0.8999 (4)	0.2817 (4)	0.131 (5)	0.505 (12)
I412	0.27197 (8)	0.9446 (6)	0.3327 (5)	0.212 (6)	0.505 (12)
Zn43	0.11586 (19)	0.3826 (9)	−0.0541 (4)	0.094 (9)	0.216 (3)
I405	0.10435 (12)	0.4643 (4)	−0.1067 (3)	0.086 (2)	0.216 (3)
I406	0.10373 (17)	0.4205 (10)	−0.0042 (5)	0.225 (10)	0.216 (3)
I513	0.4035 (7)	0.522 (4)	0.4413 (15)	0.080*	0.0229
I514	0.4577 (7)	0.595 (4)	0.4416 (14)	0.080*	0.0229
Zn57	0.4267 (7)	0.640 (5)	0.444 (3)	0.080*	0.0229
I516	0.4629 (6)	0.611 (4)	0.7894 (14)	0.080*	0.025
I515	0.4092 (12)	0.519 (6)	0.738 (3)	0.080*	0.025
Zn58	0.4323 (8)	0.635 (6)	0.760 (2)	0.080*	0.025
I404	0.11738 (19)	−0.4016 (6)	0.1068 (3)	0.163 (5)	0.370 (19)
Zn42	0.08693 (19)	−0.3672 (8)	0.0780 (3)	0.083 (4)	0.370 (19)
I403	0.0628 (2)	−0.4804 (10)	0.0627 (4)	0.161 (5)	0.370 (19)
C6A	0.4733 (2)	0.7014 (8)	0.2609 (4)	0.068 (5)	0.7003
H6A	0.480706	0.657512	0.272507	0.082*	0.7003
Zn41	0.1067 (2)	−0.3508 (9)	−0.2339 (4)	0.079 (5)	0.36 (2)
I401	0.1380 (2)	−0.3289 (11)	−0.2370 (4)	0.132 (4)	0.36 (2)
I402	0.0910 (2)	−0.4972 (5)	−0.2329 (3)	0.106 (3)	0.36 (2)
I506	0.1098 (2)	0.4655 (11)	−0.0069 (4)	0.080*	0.085 (2)
I505	0.1078 (2)	0.4489 (11)	−0.1248 (4)	0.080*	0.085 (2)
Zn53	0.1174 (5)	0.394 (3)	−0.0684 (9)	0.080*	0.085 (2)
C355	0.3169 (3)	0.9689 (16)	0.2813 (8)	0.147 (6)
H355	0.310369	0.994930	0.262231	0.177*
C356	0.3337 (3)	0.9860 (16)	0.2883 (8)	0.147 (6)
H356	0.338604	1.029060	0.275878	0.177*
C359	0.3180 (3)	0.8748 (16)	0.3243 (8)	0.147 (6)
H359	0.312641	0.834307	0.336952	0.177*
C358	0.3357 (3)	0.8880 (16)	0.3323 (8)	0.147 (6)
H358	0.342117	0.859371	0.350962	0.177*
C348	0.2616 (7)	0.2896 (16)	0.3751 (7)	0.097 (12)	0.68 (7)
H348	0.263799	0.314555	0.396391	0.116*	0.68 (7)
C349	0.2656 (7)	0.3380 (15)	0.3492 (7)	0.097 (12)	0.68 (7)
H349	0.269486	0.398080	0.352125	0.116*	0.68 (7)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I302	0.119 (3)	0.0337 (8)	0.0273 (14)	0.0060 (9)	0.0164 (12)	−0.0050 (8)
I316	0.132 (3)	0.071 (3)	0.069 (4)	0.036 (2)	0.057 (3)	0.034 (3)
I318	0.1267 (10)	0.0340 (5)	0.1058 (9)	0.0137 (5)	0.0464 (7)	0.0027 (5)
I317	0.1206 (10)	0.0471 (5)	0.0896 (8)	−0.0063 (6)	−0.0116 (7)	0.0374 (5)
I315	0.140 (4)	0.0289 (17)	0.077 (3)	−0.0238 (16)	0.054 (2)	−0.0147 (14)
I305	0.0842 (10)	0.0317 (7)	0.0656 (11)	−0.0004 (6)	0.0125 (9)	0.0043 (7)
I313	0.174 (4)	0.036 (2)	0.062 (4)	0.002 (2)	0.021 (3)	−0.0071 (18)
I304	0.123 (2)	0.0696 (13)	0.0440 (14)	0.0298 (14)	0.0410 (14)	0.0226 (10)
I303	0.164 (3)	0.0241 (12)	0.0760 (19)	−0.0008 (13)	0.0442 (16)	−0.0096 (9)
I301	0.086 (2)	0.0971 (19)	0.0544 (17)	0.0110 (14)	0.0075 (14)	−0.0171 (12)
I314	0.082 (3)	0.130 (4)	0.064 (3)	0.017 (3)	0.008 (2)	−0.042 (3)
I307	0.2079 (18)	0.0606 (7)	0.1011 (10)	−0.0078 (8)	0.0322 (10)	−0.0108 (6)
I306	0.136 (2)	0.0404 (7)	0.0654 (9)	0.0001 (9)	0.0362 (10)	−0.0119 (7)
I308	0.1114 (10)	0.1507 (14)	0.0875 (8)	0.0348 (9)	0.0151 (7)	−0.0245 (9)
I311	0.0643 (15)	0.0452 (11)	0.096 (2)	0.0004 (9)	0.0080 (12)	0.0198 (13)
I312	0.115 (2)	0.0588 (15)	0.088 (2)	−0.0107 (14)	0.0417 (14)	−0.0015 (12)
Zn38	0.1445 (19)	0.027 (2)	0.0351 (12)	0.0045 (14)	0.0458 (12)	0.0036 (13)
I310	0.186 (3)	0.0987 (16)	0.0999 (15)	0.0424 (17)	0.0449 (15)	0.0374 (12)
I309	0.263 (4)	0.0689 (11)	0.1087 (18)	−0.0539 (16)	0.097 (2)	−0.0316 (11)
Zn31	0.094 (3)	0.038 (2)	0.0141 (17)	0.009 (2)	0.006 (2)	0.0031 (12)
Zn37	0.147 (2)	0.0378 (9)	0.0247 (7)	0.0208 (11)	0.0093 (11)	−0.0028 (6)
Zn39	0.1050 (16)	0.0211 (7)	0.0641 (12)	0.0036 (8)	0.0101 (10)	0.0094 (7)
Zn32	0.128 (3)	0.0181 (18)	0.0349 (17)	0.023 (2)	0.048 (2)	0.0018 (13)
Zn34	0.1151 (18)	0.0635 (12)	0.0599 (11)	0.0217 (12)	0.0071 (11)	0.0003 (9)
Zn33	0.092 (3)	0.0304 (15)	0.051 (2)	−0.0033 (14)	0.0149 (16)	−0.0017 (13)
Zn35	0.167 (4)	0.0506 (17)	0.072 (2)	0.004 (2)	0.050 (2)	0.0144 (15)
Zn36	0.067 (3)	0.043 (2)	0.070 (3)	−0.0073 (18)	0.017 (2)	0.0087 (19)
N328	0.092 (7)	0.021 (4)	0.025 (4)	0.006 (4)	0.016 (4)	0.006 (3)
N327	0.108 (8)	0.020 (4)	0.022 (4)	0.003 (4)	0.020 (4)	0.003 (3)
N323	0.117 (10)	0.034 (5)	0.027 (4)	0.009 (5)	0.031 (5)	0.005 (4)
N326	0.119 (9)	0.020 (4)	0.025 (4)	0.005 (5)	0.027 (5)	0.003 (3)
N332	0.103 (9)	0.038 (5)	0.034 (5)	−0.001 (5)	0.022 (5)	−0.003 (4)
N329	0.134 (10)	0.031 (5)	0.028 (4)	0.002 (5)	0.038 (5)	−0.002 (4)
N334	0.105 (8)	0.030 (5)	0.030 (4)	0.000 (5)	0.020 (5)	0.002 (4)
N330	0.106 (9)	0.035 (5)	0.044 (6)	−0.004 (5)	0.011 (5)	−0.003 (4)
N322	0.099 (8)	0.032 (5)	0.032 (5)	0.006 (5)	0.015 (5)	0.010 (4)
N302	0.106 (9)	0.030 (5)	0.036 (5)	0.008 (5)	0.022 (5)	0.002 (4)
N333	0.105 (9)	0.036 (5)	0.023 (4)	−0.003 (5)	0.010 (5)	−0.001 (4)
N303	0.135 (11)	0.028 (5)	0.039 (5)	0.015 (6)	0.034 (6)	0.014 (4)
N331	0.111 (9)	0.034 (5)	0.045 (6)	0.005 (6)	0.006 (6)	0.001 (4)
N315	0.100 (9)	0.036 (5)	0.058 (6)	0.009 (5)	0.032 (6)	0.009 (5)
N336	0.116 (10)	0.041 (6)	0.040 (5)	−0.006 (6)	0.032 (6)	0.004 (5)
N314	0.092 (8)	0.039 (5)	0.064 (7)	0.006 (5)	0.028 (6)	0.015 (5)
C399	0.109 (11)	0.028 (5)	0.026 (5)	−0.003 (6)	0.013 (6)	0.002 (4)
N325	0.142 (11)	0.032 (5)	0.023 (4)	0.014 (6)	0.014 (5)	0.000 (4)
N305	0.146 (11)	0.034 (4)	0.042 (5)	0.018 (6)	0.036 (6)	0.010 (4)
N321	0.094 (9)	0.049 (6)	0.045 (6)	−0.009 (6)	0.005 (5)	0.001 (5)
C398	0.093 (10)	0.032 (6)	0.023 (5)	0.006 (6)	0.014 (5)	−0.002 (4)
O3A	0.112 (11)	0.051 (7)	0.051 (7)	−0.016 (7)	−0.001 (7)	0.025 (6)
N335	0.090 (8)	0.043 (5)	0.032 (5)	−0.004 (5)	0.017 (5)	0.002 (4)
N306	0.104 (10)	0.044 (6)	0.063 (7)	0.002 (6)	0.025 (6)	−0.002 (5)
N301	0.115 (10)	0.039 (5)	0.045 (6)	0.017 (6)	0.029 (6)	0.018 (4)
N324	0.112 (10)	0.046 (6)	0.026 (5)	−0.009 (6)	0.012 (5)	0.001 (4)
C375	0.114 (11)	0.026 (5)	0.026 (5)	0.003 (6)	0.026 (6)	0.001 (4)
N316	0.089 (8)	0.037 (5)	0.058 (6)	0.011 (5)	0.023 (5)	0.012 (5)
C388	0.093 (9)	0.029 (5)	0.022 (5)	0.006 (5)	0.017 (5)	0.009 (4)
N304	0.116 (10)	0.038 (5)	0.048 (6)	0.011 (6)	0.026 (6)	0.008 (5)
C363	0.087 (9)	0.035 (6)	0.025 (5)	−0.001 (6)	0.016 (5)	0.003 (4)
C380	0.099 (9)	0.032 (5)	0.019 (5)	0.002 (6)	0.012 (5)	0.002 (4)
C381	0.096 (9)	0.030 (5)	0.022 (5)	0.003 (5)	0.020 (5)	0.012 (4)
N310	0.117 (10)	0.047 (6)	0.051 (6)	0.001 (6)	0.010 (6)	0.009 (5)
C406	0.120 (13)	0.032 (6)	0.037 (6)	−0.004 (7)	0.032 (7)	0.001 (5)
C378	0.104 (10)	0.026 (5)	0.024 (5)	0.001 (5)	0.026 (5)	−0.003 (4)
C390	0.115 (11)	0.021 (5)	0.037 (6)	−0.001 (6)	0.017 (6)	0.003 (4)
C397	0.095 (10)	0.036 (6)	0.022 (5)	0.002 (6)	0.018 (5)	−0.002 (4)
C361	0.085 (9)	0.027 (5)	0.032 (5)	0.004 (5)	0.014 (5)	0.006 (4)
C367	0.102 (11)	0.041 (6)	0.040 (6)	0.001 (7)	0.024 (7)	0.003 (5)
C303	0.107 (11)	0.038 (6)	0.030 (5)	0.011 (6)	0.017 (6)	0.001 (5)
C393	0.101 (11)	0.039 (6)	0.030 (5)	−0.003 (6)	0.012 (6)	0.003 (5)
C400	0.091 (10)	0.041 (6)	0.045 (6)	0.002 (6)	0.028 (6)	0.011 (5)
O2A	0.085 (9)	0.044 (7)	0.079 (9)	0.005 (6)	0.029 (7)	−0.017 (6)
N317	0.199 (17)	0.037 (6)	0.077 (9)	0.006 (8)	0.070 (10)	0.009 (6)
N320	0.109 (11)	0.048 (7)	0.062 (7)	0.002 (7)	0.010 (7)	0.012 (5)
C370	0.097 (11)	0.044 (7)	0.035 (6)	−0.001 (7)	0.011 (6)	0.015 (5)
C308	0.118 (11)	0.023 (5)	0.036 (6)	0.013 (6)	0.018 (6)	0.003 (4)
C386	0.124 (12)	0.031 (6)	0.040 (6)	0.000 (7)	0.008 (7)	0.014 (5)
C316	0.104 (10)	0.028 (5)	0.039 (6)	0.009 (6)	0.018 (6)	0.006 (5)
C373	0.117 (11)	0.040 (6)	0.025 (5)	−0.005 (7)	0.012 (6)	0.004 (5)
N313	0.119 (11)	0.046 (6)	0.063 (7)	0.020 (7)	0.023 (7)	0.012 (5)
N307	0.115 (11)	0.059 (8)	0.066 (8)	0.005 (7)	0.010 (7)	0.012 (6)
C366	0.097 (10)	0.029 (6)	0.051 (7)	0.004 (6)	0.015 (6)	−0.012 (5)
C307	0.112 (11)	0.030 (6)	0.042 (6)	0.019 (6)	0.025 (6)	0.009 (5)
C389	0.093 (10)	0.026 (5)	0.045 (6)	0.006 (6)	0.018 (6)	0.004 (5)
C379	0.089 (9)	0.035 (5)	0.020 (5)	0.008 (5)	0.014 (5)	0.006 (4)
C401	0.134 (14)	0.044 (7)	0.029 (6)	0.012 (8)	0.039 (7)	0.017 (5)
C396	0.109 (11)	0.037 (6)	0.026 (5)	0.004 (6)	0.023 (6)	0.003 (4)
C306	0.114 (11)	0.036 (6)	0.037 (6)	0.012 (6)	0.029 (6)	0.011 (5)
N318	0.096 (10)	0.039 (7)	0.120 (13)	−0.004 (6)	0.002 (9)	0.000 (8)
N308	0.096 (10)	0.065 (8)	0.073 (8)	0.001 (7)	0.005 (7)	0.013 (6)
C371	0.120 (13)	0.054 (8)	0.041 (7)	0.021 (8)	0.037 (7)	0.020 (6)
O1A	0.098 (10)	0.059 (8)	0.075 (9)	0.030 (7)	0.044 (8)	0.044 (7)
N309	0.119 (12)	0.053 (7)	0.065 (8)	0.004 (7)	0.020 (7)	−0.003 (6)
C362	0.081 (10)	0.044 (7)	0.049 (7)	−0.012 (6)	0.014 (6)	0.007 (5)
N312	0.095 (8)	0.077 (8)	0.066 (7)	0.006 (7)	0.011 (6)	0.013 (6)
C383	0.147 (14)	0.030 (6)	0.043 (7)	0.002 (7)	0.045 (8)	0.006 (5)
C382	0.139 (13)	0.028 (5)	0.030 (5)	−0.004 (6)	0.041 (7)	−0.004 (4)
C403	0.104 (12)	0.049 (7)	0.037 (6)	−0.006 (7)	0.000 (7)	0.010 (5)
C342	0.087 (10)	0.045 (7)	0.046 (7)	0.003 (6)	0.019 (6)	−0.001 (5)
C339	0.102 (12)	0.037 (7)	0.087 (10)	0.015 (7)	0.034 (9)	0.019 (7)
C407	0.122 (14)	0.044 (7)	0.034 (6)	−0.001 (8)	0.015 (7)	0.003 (5)
C384	0.137 (14)	0.044 (7)	0.035 (6)	−0.004 (8)	0.031 (7)	0.004 (5)
C352	0.079 (9)	0.038 (6)	0.068 (8)	−0.005 (6)	0.013 (7)	0.016 (6)
C305	0.167 (16)	0.038 (7)	0.027 (6)	0.016 (8)	0.033 (7)	0.010 (5)
C408	0.130 (13)	0.049 (7)	0.041 (7)	−0.013 (8)	0.038 (7)	0.006 (6)
C360	0.101 (11)	0.032 (6)	0.058 (8)	−0.007 (6)	0.009 (7)	0.005 (6)
C374	0.128 (12)	0.031 (6)	0.021 (5)	0.001 (6)	0.016 (6)	0.005 (4)
C385	0.128 (12)	0.023 (5)	0.033 (6)	−0.008 (6)	0.022 (6)	0.001 (4)
C392	0.104 (13)	0.064 (9)	0.060 (9)	−0.002 (8)	0.014 (8)	0.031 (7)
C309	0.129 (12)	0.037 (5)	0.029 (5)	0.021 (6)	0.030 (6)	0.011 (4)
C387	0.121 (12)	0.047 (7)	0.032 (6)	−0.006 (7)	0.019 (6)	0.003 (5)
C343	0.088 (9)	0.035 (6)	0.049 (7)	0.009 (6)	0.017 (6)	0.017 (5)
C301	0.132 (13)	0.042 (7)	0.041 (7)	−0.006 (8)	0.023 (7)	0.015 (5)
C302	0.138 (13)	0.040 (7)	0.029 (6)	−0.004 (7)	0.021 (7)	0.009 (5)
C344	0.095 (11)	0.032 (6)	0.065 (8)	0.003 (6)	0.009 (7)	0.008 (6)
C310	0.127 (12)	0.040 (5)	0.037 (5)	0.015 (6)	0.029 (6)	0.002 (4)
N311	0.171 (18)	0.067 (9)	0.081 (10)	0.011 (11)	0.048 (11)	−0.003 (8)
C395	0.122 (14)	0.075 (10)	0.034 (6)	0.005 (9)	0.024 (7)	0.015 (6)
N319	0.086 (10)	0.039 (7)	0.178 (17)	−0.013 (6)	0.007 (10)	0.009 (8)
C318	0.171 (18)	0.050 (8)	0.042 (7)	0.010 (10)	0.008 (9)	−0.002 (6)
C325	0.110 (14)	0.049 (8)	0.071 (10)	0.004 (8)	0.027 (9)	−0.002 (7)
C304	0.146 (14)	0.038 (7)	0.039 (6)	0.010 (8)	0.035 (8)	0.009 (5)
C402	0.097 (11)	0.048 (8)	0.068 (9)	−0.010 (7)	0.005 (8)	0.012 (7)
C376	0.193 (18)	0.027 (6)	0.031 (6)	−0.006 (8)	0.046 (8)	0.001 (5)
C7A	0.076 (11)	0.022 (7)	0.064 (10)	−0.008 (7)	0.004 (8)	0.002 (7)
C394	0.102 (13)	0.092 (12)	0.051 (8)	0.002 (10)	0.023 (8)	0.031 (8)
C372	0.096 (11)	0.059 (8)	0.067 (9)	0.020 (8)	0.031 (8)	0.013 (7)
C357	0.102 (13)	0.045 (8)	0.091 (12)	0.000 (8)	−0.009 (9)	0.014 (8)
C365	0.111 (14)	0.058 (9)	0.059 (8)	0.015 (9)	0.028 (8)	0.023 (7)
C3A	0.075 (11)	0.035 (8)	0.039 (8)	−0.009 (7)	0.030 (7)	−0.005 (6)
C346	0.115 (13)	0.043 (7)	0.072 (9)	−0.005 (8)	0.032 (9)	0.006 (7)
C364	0.082 (10)	0.052 (8)	0.064 (8)	0.010 (7)	0.018 (7)	0.015 (6)
C350	0.085 (11)	0.046 (8)	0.124 (15)	0.002 (7)	0.024 (10)	0.038 (10)
C326	0.095 (12)	0.073 (10)	0.066 (9)	−0.017 (9)	0.010 (8)	0.020 (8)
C324	0.119 (15)	0.062 (10)	0.069 (10)	0.003 (9)	0.010 (9)	0.017 (8)
C345	0.109 (12)	0.037 (7)	0.067 (9)	0.016 (7)	0.029 (8)	0.020 (6)
C317	0.146 (16)	0.048 (8)	0.050 (8)	0.018 (9)	0.014 (9)	−0.003 (6)
C4A	0.075 (10)	0.022 (7)	0.051 (8)	0.004 (7)	0.020 (7)	−0.001 (6)
C327	0.16 (2)	0.075 (12)	0.065 (10)	0.015 (12)	0.044 (11)	0.026 (9)
C5A	0.092 (12)	0.032 (8)	0.066 (10)	0.001 (8)	0.036 (9)	−0.001 (7)
C334	0.104 (8)	0.062 (9)	0.073 (9)	0.005 (8)	0.007 (8)	0.016 (7)
C391	0.128 (15)	0.068 (10)	0.054 (8)	0.010 (9)	0.025 (9)	0.032 (7)
C335	0.110 (9)	0.100 (13)	0.065 (9)	0.013 (9)	0.022 (8)	0.028 (8)
C337	0.120 (14)	0.059 (9)	0.066 (9)	0.010 (9)	0.013 (9)	0.009 (8)
C312	0.27 (3)	0.038 (5)	0.039 (7)	0.011 (9)	0.069 (11)	0.008 (5)
C311	0.133 (13)	0.042 (6)	0.035 (5)	0.008 (7)	0.030 (6)	0.008 (4)
C1A	0.118 (15)	0.025 (7)	0.052 (9)	−0.012 (9)	0.045 (10)	−0.006 (7)
C340	0.164 (18)	0.052 (8)	0.075 (10)	−0.011 (10)	0.057 (11)	−0.003 (8)
C405	0.108 (13)	0.047 (8)	0.092 (12)	0.010 (8)	0.018 (9)	0.024 (8)
C336	0.104 (10)	0.081 (11)	0.072 (9)	0.011 (8)	0.019 (8)	0.016 (7)
C315	0.146 (15)	0.038 (7)	0.045 (7)	0.013 (8)	0.029 (8)	0.005 (5)
C321	0.118 (14)	0.070 (10)	0.054 (8)	0.007 (9)	0.002 (8)	0.009 (7)
C331	0.18 (2)	0.061 (10)	0.071 (11)	−0.032 (12)	0.053 (13)	−0.012 (8)
C351	0.140 (16)	0.049 (8)	0.077 (11)	0.005 (9)	0.032 (10)	0.008 (8)
C314	0.118 (12)	0.037 (6)	0.055 (8)	0.010 (7)	0.026 (8)	0.014 (6)
C12A	0.083 (12)	0.031 (8)	0.068 (11)	−0.005 (8)	0.003 (9)	0.013 (8)
C8A	0.072 (11)	0.034 (8)	0.075 (11)	0.011 (8)	0.005 (9)	−0.009 (8)
C338	0.132 (15)	0.042 (7)	0.070 (9)	0.004 (8)	0.024 (9)	−0.005 (7)
C2A	0.093 (13)	0.037 (8)	0.062 (10)	−0.017 (8)	0.039 (9)	−0.017 (8)
C9A	0.089 (14)	0.041 (10)	0.107 (16)	0.007 (10)	−0.013 (12)	−0.031 (11)
C319	0.106 (16)	0.16 (2)	0.080 (13)	0.010 (15)	−0.016 (11)	0.048 (14)
C377	0.24 (2)	0.026 (6)	0.040 (7)	0.010 (9)	0.055 (10)	0.003 (5)
C347	0.130 (15)	0.047 (8)	0.096 (12)	0.008 (9)	0.057 (11)	0.008 (8)
C341	0.172 (19)	0.057 (9)	0.074 (10)	0.014 (11)	0.057 (11)	0.016 (8)
C353	0.17 (2)	0.043 (8)	0.084 (12)	−0.001 (10)	0.014 (12)	0.007 (8)
C313	0.32 (3)	0.021 (5)	0.044 (7)	0.004 (10)	0.078 (11)	0.004 (5)
C354	0.17 (2)	0.043 (9)	0.114 (16)	0.004 (11)	0.016 (14)	0.016 (10)
C11A	0.093 (14)	0.028 (8)	0.101 (15)	−0.011 (9)	−0.021 (12)	0.025 (9)
C15A	0.094 (16)	0.087 (16)	0.085 (15)	−0.016 (13)	0.014 (12)	0.055 (13)
C404	0.16 (2)	0.071 (11)	0.072 (11)	0.010 (12)	0.029 (12)	0.043 (9)
C322	0.14 (2)	0.13 (2)	0.114 (17)	0.009 (16)	0.006 (14)	0.072 (16)
C330	0.19 (2)	0.052 (10)	0.101 (15)	−0.022 (13)	0.040 (15)	−0.024 (10)
C323	0.107 (17)	0.096 (16)	0.18 (3)	−0.027 (13)	−0.030 (17)	0.053 (17)
C448	0.18 (4)	0.044 (7)	0.076 (11)	0.009 (12)	0.040 (16)	0.011 (7)
C449	0.18 (4)	0.044 (7)	0.076 (11)	0.009 (12)	0.040 (16)	0.011 (7)
C320	0.121 (18)	0.099 (16)	0.134 (19)	0.001 (13)	−0.005 (14)	0.060 (14)
C13A	0.095 (15)	0.045 (10)	0.080 (13)	0.011 (10)	0.007 (11)	0.011 (10)
C328	0.16 (2)	0.072 (12)	0.125 (17)	0.029 (13)	0.059 (15)	0.047 (12)
C10A	0.101 (16)	0.038 (10)	0.133 (19)	0.007 (11)	−0.029 (15)	−0.022 (12)
C369	0.099 (14)	0.16 (2)	0.112 (16)	−0.020 (13)	0.017 (11)	0.091 (16)
C329	0.13 (2)	0.14 (2)	0.111 (17)	0.034 (17)	0.036 (15)	0.055 (16)
C368	0.133 (18)	0.113 (17)	0.104 (15)	−0.004 (14)	0.023 (13)	0.077 (14)
C14A	0.17 (3)	0.10 (2)	0.12 (2)	−0.012 (19)	0.09 (2)	−0.056 (18)
C333	0.102 (11)	0.16 (2)	0.17 (2)	0.006 (14)	0.009 (13)	0.118 (19)
C332	0.097 (10)	0.22 (3)	0.18 (2)	0.026 (15)	0.020 (14)	0.14 (2)
I416	0.156 (4)	0.066 (2)	0.052 (2)	0.0515 (19)	0.0742 (19)	0.0403 (19)
Zn48	0.1445 (19)	0.027 (2)	0.0351 (12)	0.0045 (14)	0.0458 (12)	0.0036 (13)
I415	0.333 (14)	0.044 (3)	0.060 (3)	−0.053 (5)	0.090 (5)	−0.0217 (19)
I414	0.195 (6)	0.177 (6)	0.044 (2)	0.104 (4)	−0.001 (2)	−0.040 (2)
Zn47	0.147 (2)	0.0378 (9)	0.0247 (7)	0.0208 (11)	0.0093 (11)	−0.0028 (6)
I413	0.386 (10)	0.0322 (18)	0.0198 (13)	−0.035 (3)	0.036 (3)	−0.0057 (12)
I409	0.42 (3)	0.127 (9)	0.44 (3)	−0.155 (14)	0.36 (3)	−0.191 (15)
Zn45	0.31 (3)	0.039 (5)	0.132 (14)	0.028 (10)	0.175 (17)	0.004 (7)
I410	0.69 (5)	0.203 (15)	0.089 (6)	0.31 (3)	0.169 (15)	0.090 (8)
I411	0.136 (4)	0.087 (3)	0.316 (13)	−0.032 (3)	−0.071 (6)	0.118 (6)
Zn46	0.103 (5)	0.035 (3)	0.239 (13)	0.003 (3)	−0.020 (7)	0.015 (5)
I412	0.143 (4)	0.111 (5)	0.375 (16)	0.032 (3)	0.024 (6)	−0.109 (8)
Zn43	0.153 (16)	0.041 (7)	0.075 (14)	0.036 (8)	−0.016 (12)	−0.007 (8)
I405	0.114 (5)	0.032 (3)	0.100 (6)	0.002 (3)	−0.012 (5)	0.006 (4)
I406	0.108 (7)	0.156 (12)	0.39 (2)	0.007 (8)	−0.004 (12)	−0.204 (15)
I404	0.265 (9)	0.125 (5)	0.137 (6)	0.107 (6)	0.137 (7)	0.076 (5)
Zn42	0.175 (9)	0.041 (5)	0.054 (4)	0.051 (5)	0.073 (5)	0.008 (3)
I403	0.276 (11)	0.049 (4)	0.195 (9)	−0.008 (5)	0.138 (8)	−0.034 (4)
C6A	0.134 (16)	0.019 (7)	0.065 (11)	0.018 (9)	0.056 (11)	0.014 (7)
Zn41	0.126 (9)	0.051 (5)	0.050 (7)	0.037 (5)	−0.010 (5)	0.004 (4)
I401	0.128 (6)	0.144 (7)	0.109 (6)	0.045 (5)	−0.019 (5)	−0.029 (5)
I402	0.230 (8)	0.0353 (18)	0.044 (3)	0.014 (3)	−0.001 (5)	−0.0063 (19)
C355	0.092 (7)	0.110 (9)	0.218 (15)	−0.018 (7)	−0.031 (9)	0.084 (10)
C356	0.092 (7)	0.110 (9)	0.218 (15)	−0.018 (7)	−0.031 (9)	0.084 (10)
C359	0.092 (7)	0.110 (9)	0.218 (15)	−0.018 (7)	−0.031 (9)	0.084 (10)
C358	0.092 (7)	0.110 (9)	0.218 (15)	−0.018 (7)	−0.031 (9)	0.084 (10)
C348	0.18 (4)	0.044 (7)	0.076 (11)	0.009 (12)	0.040 (16)	0.011 (7)
C349	0.18 (4)	0.044 (7)	0.076 (11)	0.009 (12)	0.040 (16)	0.011 (7)

Geometric parameters (Å, º)

I302—Zn31	2.549 (5)	C383—C382	1.364 (15)
I316—Zn38	2.527 (11)	C382—H382	0.9500
I318—Zn39	2.535 (2)	C403—H403	0.9500
I317—Zn39	2.516 (2)	C403—C402	1.36 (2)
I315—Zn38	2.548 (10)	C342—C339	1.48 (2)
I305—Zn33	2.556 (5)	C339—C340	1.39 (2)
I313—Zn37	2.536 (10)	C339—C338	1.36 (2)
I304—Zn32	2.490 (6)	C407—H407	0.9500
I303—Zn32	2.519 (5)	C407—C408	1.414 (19)
I301—Zn31	2.539 (6)	C384—H384	0.9500
I314—Zn37	2.546 (10)	C384—C385	1.365 (16)
I307—Zn34	2.544 (3)	C352—C344	1.505 (17)
I306—Zn33	2.522 (5)	C352—C351	1.41 (2)
I308—Zn34	2.521 (3)	C352—C353	1.38 (2)
I311—Zn36	2.550 (6)	C305—H305	0.9500
I312—Zn36	2.517 (6)	C305—C304	1.363 (17)
Zn38—N323^i	2.11 (3)	C408—H408	0.9500
Zn38—N329	2.068 (14)	C360—C357	1.48 (2)
I310—Zn35	2.499 (6)	C374—H374	0.9500
I309—Zn35	2.516 (5)	C385—H385	0.9500
Zn31—N335^ii	1.966 (14)	C392—H392	0.9500
Zn31—N301	2.101 (12)	C392—C391	1.40 (2)
Zn37—N325	2.081 (14)	C309—C310	1.375 (18)
Zn37—N324	2.056 (15)	C309—C313	1.365 (17)
Zn39—N330	2.079 (10)	C387—H387	0.9500
Zn39—N331	2.020 (14)	C343—C345	1.494 (17)
Zn32—N336^iii	2.179 (13)	C301—H301	0.9500
Zn32—N305	2.074 (11)	C301—C302	1.340 (18)
Zn34—N313	2.055 (13)	C302—H302	0.9500
Zn34—N312	2.058 (13)	C310—H310	0.9500
Zn33—N306	2.088 (12)	C310—C311	1.369 (17)
Zn33—N307	2.040 (16)	N311—C330	1.32 (3)
Zn35—N317	2.114 (13)	N311—C329	1.35 (3)
Zn35—N311^iv	2.127 (18)	N311—Zn45^viii	2.22 (2)
Zn36—N318	2.119 (14)	C395—H395	0.9500
Zn36—N319	2.082 (16)	C395—C394	1.35 (2)
N328—C380	1.344 (13)	N319—Zn46	2.031 (17)
N328—C379	1.338 (14)	N319—C355	1.37 (3)
N327—C378	1.367 (13)	N319—C359	1.29 (3)
N327—C379	1.309 (13)	C318—H318	0.9500
N323—C366	1.360 (17)	C318—C317	1.38 (2)
N323—C365	1.37 (2)	C325—C327	1.45 (2)
N323—Zn48^v	1.99 (3)	C304—H304	0.9500
N326—C380	1.343 (13)	C402—H402	0.9500
N326—C378	1.329 (14)	C376—H376	0.9500
N332—C398	1.302 (17)	C376—C377	1.362 (17)
N332—C396	1.334 (16)	C7A—C4A	1.512 (13)
N329—C383	1.345 (15)	C7A—C12A	1.401 (15)
N329—C384	1.346 (17)	C7A—C8A	1.412 (15)
N329—Zn48	2.071 (13)	C394—H394	0.9500
N329—Zn58	2.25 (10)	C372—H372	0.9500
N334—C398	1.354 (16)	C357—C356	1.38 (3)
N334—C397	1.359 (16)	C357—C358	1.37 (3)
N330—C390	1.314 (15)	C365—H365	0.9500
N330—C386	1.353 (16)	C365—C364	1.37 (2)
N330—Zn49	2.09 (2)	C3A—H3A	0.9500
N322—C361	1.332 (15)	C3A—C4A	1.390 (15)
N322—C362	1.349 (16)	C3A—C2A	1.386 (14)
N302—C308	1.360 (15)	C346—H346	0.9500
N302—C306	1.311 (16)	C346—C345	1.38 (2)
N333—C397	1.300 (17)	C346—C347	1.39 (2)
N333—C396	1.349 (16)	C364—H364	0.9500
N303—C307	1.322 (16)	C350—H350	0.9500
N303—C306	1.349 (14)	C350—C351	1.39 (2)
N331—C395	1.393 (19)	C326—C334	1.48 (2)
N331—C391	1.300 (19)	C324—C321	1.49 (3)
N331—Zn49	2.11 (2)	C345—C449	1.42 (3)
N315—C342	1.352 (16)	C345—C349	1.41 (3)
N315—C343	1.284 (17)	C317—H317	0.9500
N336—C408	1.29 (2)	C4A—C5A	1.409 (15)
N336—C404	1.31 (2)	C327—C331	1.35 (3)
N336—Zn42^vi	1.827 (17)	C327—C328	1.38 (3)
N314—C342	1.319 (17)	C5A—C13A	1.51 (3)
N314—C344	1.347 (18)	C5A—C6A	1.387 (15)
C399—C397	1.501 (17)	C334—C335	1.41 (3)
C399—C400	1.374 (17)	C334—C333	1.40 (3)
C399—C403	1.36 (2)	C391—H391	0.9500
N325—C373	1.336 (16)	C335—H335	0.9500
N325—C377	1.321 (19)	C335—C336	1.36 (2)
N325—Zn47	2.072 (13)	C337—H337	0.9500
N325—Zn57	2.16 (11)	C337—C338	1.38 (2)
N305—C312	1.301 (18)	C312—H312	0.9500
N305—C311	1.307 (16)	C312—C313	1.368 (18)
N305—Zn42	2.135 (15)	C311—H311	0.9500
N321—C361	1.298 (17)	C1A—H1AA	0.9500
N321—C360	1.336 (17)	C1A—C2A	1.380 (16)
C398—C406	1.500 (17)	C1A—C6A	1.399 (16)
O3A—C12A	1.367 (17)	C340—H340	0.9500
O3A—C15A	1.429 (15)	C340—C341	1.38 (2)
N335—C401	1.312 (19)	C405—H405	0.9500
N335—C402	1.338 (17)	C405—C404	1.42 (2)
N335—Zn41^vii	2.25 (2)	C336—H336	0.9500
N306—C318	1.345 (19)	C315—H315	0.9500
N306—C314	1.337 (18)	C315—C314	1.363 (19)
N306—Zn43	2.097 (17)	C321—C322	1.41 (3)
N306—Zn53	2.36 (4)	C321—C320	1.37 (2)
N301—C305	1.309 (17)	C331—H331	0.9500
N301—C301	1.376 (15)	C331—C330	1.41 (3)
N301—Zn41	1.986 (16)	C351—H351	0.9500
N324—C372	1.289 (18)	C314—H314	0.9500
N324—C368	1.34 (2)	C12A—C11A	1.384 (15)
N324—Zn47	2.047 (14)	C8A—C9A	1.392 (15)
N324—Zn57	1.99 (11)	C338—H338	0.9500
C375—C378	1.458 (14)	C2A—H2A	0.9500
C375—C374	1.366 (17)	C9A—H9A	0.9500
C375—C376	1.387 (16)	C9A—C10A	1.371 (17)
N316—C343	1.320 (17)	C319—H319	0.9500
N316—C344	1.334 (17)	C319—C320	1.37 (3)
C388—C380	1.489 (15)	C377—H377	0.9500
C388—C389	1.386 (16)	C347—H347	0.9500
C388—C387	1.384 (15)	C341—H341	0.9500
N304—C308	1.324 (15)	C353—H353	0.9500
N304—C307	1.354 (16)	C353—C354	1.42 (2)
C363—C361	1.504 (16)	C313—H313	0.9500
C363—C367	1.360 (19)	C354—H354	0.9500
C363—C364	1.371 (18)	C11A—H11A	0.9500
C381—C379	1.485 (13)	C11A—C10A	1.386 (17)
C381—C382	1.369 (16)	C15A—H15A	0.9800
C381—C385	1.379 (15)	C15A—H15B	0.9800
N310—C325	1.34 (2)	C15A—H15C	0.9800
N310—C326	1.341 (19)	C404—H404	0.9500
C406—C407	1.33 (2)	C322—H322	0.9500
C406—C405	1.38 (2)	C322—C323	1.42 (3)
C390—H390	0.9500	C330—H330	0.9500
C390—C389	1.379 (15)	C323—H323	0.9500
C367—H367	0.9500	C448—H448	0.9500
C367—C366	1.378 (18)	C448—C449	1.38 (3)
C303—C306	1.503 (16)	C449—H449	0.9500
C303—C302	1.382 (18)	C320—H320	0.9500
C303—C304	1.405 (17)	C13A—H13A	0.9900
C393—C396	1.50 (2)	C13A—H13B	0.9900
C393—C392	1.347 (19)	C328—H328	0.9500
C393—C394	1.36 (2)	C328—C329	1.43 (3)
C400—H400	0.9500	C10A—H10A	0.9500
C400—C401	1.393 (19)	C369—H369	0.9500
O2A—C8A	1.372 (17)	C369—C368	1.37 (3)
O2A—C14A	1.442 (16)	C329—H329	0.9500
N317—C347	1.35 (2)	C368—H368	0.9500
N317—C448	1.36 (3)	C14A—H14A	0.9800
N317—Zn45	2.129 (16)	C14A—H14B	0.9800
N317—C348	1.36 (2)	C14A—H14C	0.9800
N320—C362	1.323 (19)	C333—H333	0.9500
N320—C360	1.332 (18)	C333—C332	1.40 (3)
C370—C371	1.35 (2)	C332—H332	0.9500
C370—C362	1.476 (19)	I416—Zn48	2.531 (10)
C370—C369	1.44 (2)	Zn48—I415	2.552 (11)
C308—C316	1.471 (15)	I414—Zn47	2.533 (9)
C386—H386	0.9500	Zn47—I413	2.523 (8)
C386—C387	1.341 (18)	I417—Zn49	2.542 (18)
C316—C317	1.376 (18)	Zn49—I418	2.571 (17)
C316—C315	1.378 (17)	I409—Zn45	2.499 (16)
C373—H373	0.9500	Zn45—I410	2.491 (16)
C373—C374	1.364 (15)	I411—Zn46	2.520 (9)
N313—C337	1.33 (2)	Zn46—I412	2.523 (11)
N313—C341	1.31 (2)	Zn43—I405	2.532 (13)
N307—C319	1.32 (3)	Zn43—I406	2.498 (15)
N307—C323	1.26 (2)	I513—Zn57	2.527 (18)
N307—Zn43	2.01 (2)	I514—Zn57	2.545 (18)
N307—Zn53	2.07 (4)	I516—Zn58	2.530 (18)
C366—H366	0.9500	I515—Zn58	2.558 (18)
C307—C309	1.484 (15)	I404—Zn42	2.533 (12)
C389—H389	0.9500	Zn42—I403	2.542 (13)
C401—H401	0.9500	C6A—H6A	0.9500
N318—C350	1.31 (2)	Zn41—I401	2.506 (13)
N318—C354	1.33 (2)	Zn41—I402	2.518 (12)
N318—Zn46	2.092 (14)	I506—Zn53	2.93 (4)
N308—C326	1.29 (2)	I505—Zn53	2.48 (4)
N308—C324	1.32 (2)	C355—H355	0.9500
C371—H371	0.9500	C355—C356	1.33 (3)
C371—C372	1.39 (2)	C356—H356	0.9500
O1A—H1A	0.8400	C359—H359	0.9500
O1A—C13A	1.43 (2)	C359—C358	1.39 (3)
N309—C325	1.32 (2)	C358—H358	0.9500
N309—C324	1.32 (2)	C348—H348	0.9500
N312—C336	1.33 (2)	C348—C349	1.38 (3)
N312—C332	1.35 (3)	C349—H349	0.9500
C383—H383	0.9500
I316—Zn38—I315	128.8 (9)	N316—C344—N314	127.0 (12)
N323^i—Zn38—I316	111.1 (7)	N316—C344—C352	115.8 (13)
N323^i—Zn38—I315	104.3 (8)	C309—C310—H310	121.3
N329—Zn38—I316	102.4 (7)	C311—C310—C309	117.4 (11)
N329—Zn38—I315	107.3 (6)	C311—C310—H310	121.3
N329—Zn38—N323^i	98.9 (9)	Zn35^viii—N311—Zn45^viii	28.3 (6)
I301—Zn31—I302	123.6 (3)	C330—N311—Zn35^viii	117.6 (18)
N335^ii—Zn31—I302	109.0 (5)	C330—N311—C329	123 (2)
N335^ii—Zn31—I301	106.5 (4)	C330—N311—Zn45^viii	146 (2)
N335^ii—Zn31—N301	103.0 (5)	C329—N311—Zn35^viii	118.1 (15)
N301—Zn31—I302	107.2 (4)	C329—N311—Zn45^viii	89.9 (15)
N301—Zn31—I301	105.7 (5)	N331—C395—H395	118.6
I313—Zn37—I314	125.3 (5)	C394—C395—N331	122.7 (14)
N325—Zn37—I313	109.8 (6)	C394—C395—H395	118.6
N325—Zn37—I314	105.7 (6)	C355—N319—Zn46	112.9 (15)
N324—Zn37—I313	106.2 (6)	C359—N319—Zn46	129.7 (15)
N324—Zn37—I314	105.5 (6)	C359—N319—C355	116.8 (19)
N324—Zn37—N325	101.8 (6)	N306—C318—H318	119.5
I317—Zn39—I318	120.45 (9)	N306—C318—C317	121.1 (14)
N330—Zn39—I318	106.9 (3)	C317—C318—H318	119.5
N330—Zn39—I317	110.3 (3)	N310—C325—C327	115.5 (18)
N331—Zn39—I318	107.4 (3)	N309—C325—N310	125.2 (15)
N331—Zn39—I317	108.5 (3)	N309—C325—C327	119.1 (17)
N331—Zn39—N330	101.6 (5)	C303—C304—H304	120.5
I304—Zn32—I303	127.6 (3)	C305—C304—C303	119.1 (12)
N336^iii—Zn32—I304	108.5 (5)	C305—C304—H304	120.5
N336^iii—Zn32—I303	103.3 (4)	N335—C402—C403	124.5 (16)
N305—Zn32—I304	104.8 (5)	N335—C402—H402	117.8
N305—Zn32—I303	111.5 (5)	C403—C402—H402	117.8
N305—Zn32—N336^iii	96.8 (5)	C375—C376—H376	120.4
I308—Zn34—I307	124.78 (10)	C377—C376—C375	119.2 (12)
N313—Zn34—I307	107.2 (4)	C377—C376—H376	120.4
N313—Zn34—I308	106.6 (4)	C12A—C7A—C4A	121.1 (13)
N313—Zn34—N312	102.7 (5)	C12A—C7A—C8A	118.5 (12)
N312—Zn34—I307	105.8 (4)	C8A—C7A—C4A	120.4 (13)
N312—Zn34—I308	107.7 (4)	C393—C394—H394	119.7
I306—Zn33—I305	121.0 (2)	C395—C394—C393	120.6 (14)
N306—Zn33—I305	109.7 (4)	C395—C394—H394	119.7
N306—Zn33—I306	107.4 (4)	N324—C372—C371	124.0 (16)
N307—Zn33—I305	105.5 (4)	N324—C372—H372	118.0
N307—Zn33—I306	109.4 (4)	C371—C372—H372	118.0
N307—Zn33—N306	102.2 (6)	C356—C357—C360	121.7 (17)
I310—Zn35—I309	126.98 (19)	C358—C357—C360	122.3 (15)
N317—Zn35—I310	107.5 (5)	C358—C357—C356	116 (2)
N317—Zn35—I309	106.2 (5)	N323—C365—H365	118.9
N317—Zn35—N311^iv	97.3 (6)	C364—C365—N323	122.2 (14)
N311^iv—Zn35—I310	111.9 (6)	C364—C365—H365	118.9
N311^iv—Zn35—I309	102.9 (6)	C4A—C3A—H3A	119.9
I312—Zn36—I311	121.2 (3)	C2A—C3A—H3A	119.9
N318—Zn36—I311	107.8 (5)	C2A—C3A—C4A	120.3 (12)
N318—Zn36—I312	110.1 (5)	C345—C346—H346	120.7
N319—Zn36—I311	101.8 (5)	C345—C346—C347	118.7 (15)
N319—Zn36—I312	114.3 (6)	C347—C346—H346	120.7
N319—Zn36—N318	99.2 (6)	C363—C364—H364	120.3
C379—N328—C380	114.1 (9)	C365—C364—C363	119.4 (15)
C379—N327—C378	115.5 (9)	C365—C364—H364	120.3
C366—N323—Zn38^v	124.1 (11)	N318—C350—H350	117.8
C366—N323—C365	117.1 (11)	N318—C350—C351	124.3 (16)
C366—N323—Zn48^v	123.4 (11)	C351—C350—H350	117.8
C365—N323—Zn38^v	118.7 (9)	N310—C326—C334	115.5 (16)
C365—N323—Zn48^v	119.4 (9)	N308—C326—N310	127.1 (16)
C378—N326—C380	115.7 (9)	N308—C326—C334	117.4 (14)
C398—N332—C396	113.8 (12)	N308—C324—N309	123.7 (19)
C383—N329—Zn38	119.5 (10)	N308—C324—C321	118.4 (15)
C383—N329—C384	117.3 (10)	N309—C324—C321	117.8 (15)
C383—N329—Zn48	122.6 (10)	C346—C345—C343	121.7 (14)
C383—N329—Zn58	122 (3)	C346—C345—C449	116 (2)
C384—N329—Zn38	123.1 (9)	C346—C345—C349	119.4 (14)
C384—N329—Zn48	120.0 (9)	C449—C345—C343	118.1 (16)
C384—N329—Zn58	115 (2)	C349—C345—C343	118.8 (14)
C398—N334—C397	112.4 (12)	C316—C317—C318	121.2 (14)
C390—N330—Zn39	122.7 (8)	C316—C317—H317	119.4
C390—N330—C386	117.1 (10)	C318—C317—H317	119.4
C390—N330—Zn49	106.0 (10)	C3A—C4A—C7A	119.9 (12)
C386—N330—Zn39	120.1 (8)	C3A—C4A—C5A	120.4 (11)
C386—N330—Zn49	136.7 (10)	C5A—C4A—C7A	119.7 (13)
C361—N322—C362	112.8 (12)	C331—C327—C325	122.5 (18)
C306—N302—C308	114.6 (10)	C331—C327—C328	114 (2)
C397—N333—C396	114.8 (11)	C328—C327—C325	123 (2)
C307—N303—C306	115.6 (11)	C4A—C5A—C13A	120.2 (13)
C395—N331—Zn39	123.0 (10)	C6A—C5A—C4A	118.3 (12)
C395—N331—Zn49	137.3 (12)	C6A—C5A—C13A	121.5 (14)
C391—N331—Zn39	122.0 (12)	C335—C334—C326	123.1 (16)
C391—N331—C395	115.0 (15)	C333—C334—C326	121.2 (18)
C391—N331—Zn49	107.0 (13)	C333—C334—C335	115.6 (16)
C343—N315—C342	115.3 (11)	N331—C391—C392	124.1 (14)
C408—N336—Zn32^vi	121.7 (12)	N331—C391—H391	118.0
C408—N336—C404	117.8 (13)	C392—C391—H391	118.0
C408—N336—Zn42^vi	126.2 (13)	C334—C335—H335	119.4
C404—N336—Zn32^vi	119.5 (10)	C336—C335—C334	121.3 (17)
C404—N336—Zn42^vi	115.0 (11)	C336—C335—H335	119.4
C342—N314—C344	112.4 (11)	N313—C337—H337	119.2
C400—C399—C397	118.7 (14)	N313—C337—C338	121.6 (16)
C403—C399—C397	122.3 (11)	C338—C337—H337	119.2
C403—C399—C400	119.0 (12)	N305—C312—H312	117.4
C373—N325—Zn37	123.1 (9)	N305—C312—C313	125.2 (13)
C373—N325—Zn47	122.6 (9)	C313—C312—H312	117.4
C373—N325—Zn57	109 (3)	N305—C311—C310	124.8 (13)
C377—N325—Zn37	119.0 (9)	N305—C311—H311	117.6
C377—N325—C373	117.3 (10)	C310—C311—H311	117.6
C377—N325—Zn47	119.6 (9)	C2A—C1A—H1AA	120.1
C377—N325—Zn57	133 (3)	C2A—C1A—C6A	119.8 (11)
C312—N305—Zn32	121.9 (9)	C6A—C1A—H1AA	120.1
C312—N305—C311	116.0 (11)	C339—C340—H340	119.9
C311—N305—Zn32	121.6 (9)	C341—C340—C339	120.2 (16)
C311—N305—Zn42	128.5 (10)	C341—C340—H340	119.9
C361—N321—C360	116.0 (12)	C406—C405—H405	121.4
N332—C398—N334	127.4 (11)	C406—C405—C404	117.2 (18)
N332—C398—C406	117.8 (11)	C404—C405—H405	121.4
N334—C398—C406	114.7 (13)	N312—C336—C335	122.1 (19)
C12A—O3A—C15A	118.4 (17)	N312—C336—H336	118.9
Zn31^vii—N335—Zn41^vii	6.0 (5)	C335—C336—H336	118.9
C401—N335—Zn31^vii	118.5 (8)	C316—C315—H315	119.7
C401—N335—C402	115.9 (12)	C314—C315—C316	120.7 (13)
C401—N335—Zn41^vii	124.2 (9)	C314—C315—H315	119.7
C402—N335—Zn31^vii	125.6 (11)	C322—C321—C324	121.5 (16)
C402—N335—Zn41^vii	119.9 (11)	C320—C321—C324	121.5 (18)
C318—N306—Zn33	115.5 (10)	C320—C321—C322	117 (2)
C318—N306—Zn43	128.3 (11)	C327—C331—H331	117.9
C318—N306—Zn53	142.3 (14)	C327—C331—C330	124 (2)
C314—N306—Zn33	126.3 (9)	C330—C331—H331	117.9
C314—N306—C318	118.2 (12)	C352—C351—H351	121.5
C314—N306—Zn43	113.3 (10)	C350—C351—C352	117.0 (17)
C314—N306—Zn53	98.5 (12)	C350—C351—H351	121.5
C305—N301—Zn31	120.7 (8)	N306—C314—C315	122.3 (12)
C305—N301—C301	117.5 (11)	N306—C314—H314	118.8
C305—N301—Zn41	120.3 (10)	C315—C314—H314	118.8
C301—N301—Zn31	121.7 (9)	O3A—C12A—C7A	114.5 (12)
C301—N301—Zn41	120.6 (10)	O3A—C12A—C11A	125.1 (15)
C372—N324—Zn37	122.8 (12)	C11A—C12A—C7A	120.2 (14)
C372—N324—C368	117.5 (13)	O2A—C8A—C7A	115.0 (12)
C372—N324—Zn47	123.8 (12)	O2A—C8A—C9A	124.7 (15)
C372—N324—Zn57	144 (2)	C9A—C8A—C7A	120.3 (14)
C368—N324—Zn37	119.4 (10)	C339—C338—C337	121.9 (16)
C368—N324—Zn47	118.4 (10)	C339—C338—H338	119.1
C368—N324—Zn57	98.9 (18)	C337—C338—H338	119.1
C374—C375—C378	121.9 (10)	C3A—C2A—H2A	120.0
C374—C375—C376	117.4 (10)	C1A—C2A—C3A	120.1 (13)
C376—C375—C378	120.6 (11)	C1A—C2A—H2A	120.0
C343—N316—C344	113.1 (11)	C8A—C9A—H9A	120.0
C389—C388—C380	121.8 (9)	C10A—C9A—C8A	120.0 (16)
C387—C388—C380	120.6 (10)	C10A—C9A—H9A	120.0
C387—C388—C389	117.6 (11)	N307—C319—H319	116.4
C308—N304—C307	115.3 (11)	N307—C319—C320	127.2 (18)
C367—C363—C361	120.7 (11)	C320—C319—H319	116.4
C367—C363—C364	119.4 (12)	N325—C377—C376	123.3 (13)
C364—C363—C361	119.8 (13)	N325—C377—H377	118.3
N328—C380—C388	117.5 (9)	C376—C377—H377	118.3
N326—C380—N328	125.0 (10)	N317—C347—C346	121.6 (15)
N326—C380—C388	117.3 (9)	N317—C347—H347	119.2
C382—C381—C379	120.6 (10)	C346—C347—H347	119.2
C382—C381—C385	117.6 (9)	N313—C341—C340	122.9 (15)
C385—C381—C379	121.7 (10)	N313—C341—H341	118.5
C325—N310—C326	112.4 (16)	C340—C341—H341	118.5
C407—C406—C398	123.4 (13)	C352—C353—H353	119.2
C407—C406—C405	118.6 (13)	C352—C353—C354	121.6 (17)
C405—C406—C398	118.0 (16)	C354—C353—H353	119.2
N327—C378—C375	117.6 (9)	C309—C313—C312	117.4 (13)
N326—C378—N327	123.4 (9)	C309—C313—H313	121.3
N326—C378—C375	118.9 (9)	C312—C313—H313	121.3
N330—C390—H390	118.4	N318—C354—C353	119 (2)
N330—C390—C389	123.3 (11)	N318—C354—H354	120.7
C389—C390—H390	118.4	C353—C354—H354	120.7
N334—C397—C399	115.5 (13)	C12A—C11A—H11A	119.8
N333—C397—N334	126.0 (11)	C12A—C11A—C10A	120.4 (15)
N333—C397—C399	118.4 (11)	C10A—C11A—H11A	119.8
N322—C361—C363	115.2 (12)	O3A—C15A—H15A	109.5
N321—C361—N322	126.6 (11)	O3A—C15A—H15B	109.5
N321—C361—C363	118.1 (11)	O3A—C15A—H15C	109.5
C363—C367—H367	120.0	H15A—C15A—H15B	109.5
C363—C367—C366	120.0 (13)	H15A—C15A—H15C	109.5
C366—C367—H367	120.0	H15B—C15A—H15C	109.5
C302—C303—C306	122.9 (11)	N336—C404—C405	123.4 (16)
C302—C303—C304	117.0 (11)	N336—C404—H404	118.3
C304—C303—C306	120.0 (11)	C405—C404—H404	118.3
C392—C393—C396	120.9 (12)	C321—C322—H322	120.9
C392—C393—C394	117.8 (16)	C321—C322—C323	118.2 (19)
C394—C393—C396	121.3 (12)	C323—C322—H322	120.9
C399—C400—H400	121.1	N311—C330—C331	118 (3)
C399—C400—C401	117.8 (14)	N311—C330—H330	120.9
C401—C400—H400	121.1	C331—C330—H330	120.9
C8A—O2A—C14A	117.7 (17)	N307—C323—C322	125 (2)
C347—N317—Zn35	122.5 (10)	N307—C323—H323	117.7
C347—N317—C448	112 (3)	C322—C323—H323	117.7
C347—N317—Zn45	109.3 (12)	N317—C448—H448	119.9
C347—N317—C348	119.8 (15)	N317—C448—C449	120 (3)
C448—N317—Zn35	122.7 (19)	C449—C448—H448	119.9
C348—N317—Zn45	130.3 (14)	C345—C449—H449	121.2
C362—N320—C360	115.5 (13)	C448—C449—C345	118 (3)
C371—C370—C362	122.6 (12)	C448—C449—H449	121.2
C371—C370—C369	117.0 (14)	C321—C320—C319	117 (2)
C369—C370—C362	120.2 (15)	C321—C320—H320	121.4
N302—C308—C316	118.6 (10)	C319—C320—H320	121.4
N304—C308—N302	124.9 (11)	O1A—C13A—C5A	113.9 (17)
N304—C308—C316	116.2 (10)	O1A—C13A—H13A	108.8
N330—C386—H386	118.2	O1A—C13A—H13B	108.8
C387—C386—N330	123.5 (11)	C5A—C13A—H13A	108.8
C387—C386—H386	118.2	C5A—C13A—H13B	108.8
C317—C316—C308	119.1 (11)	H13A—C13A—H13B	107.7
C317—C316—C315	116.5 (12)	C327—C328—H328	118.2
C315—C316—C308	124.4 (11)	C327—C328—C329	124 (3)
N325—C373—H373	118.6	C329—C328—H328	118.2
N325—C373—C374	122.8 (12)	C9A—C10A—C11A	120.5 (15)
C374—C373—H373	118.6	C9A—C10A—H10A	119.7
C337—N313—Zn34	121.8 (11)	C11A—C10A—H10A	119.7
C341—N313—Zn34	120.0 (11)	C370—C369—H369	121.2
C341—N313—C337	118.0 (14)	C368—C369—C370	117.6 (19)
C319—N307—Zn33	126.2 (13)	C368—C369—H369	121.2
C319—N307—Zn43	114.5 (13)	N311—C329—C328	116 (2)
C319—N307—Zn53	97.4 (15)	N311—C329—H329	121.9
C323—N307—Zn33	118.6 (16)	C328—C329—H329	121.9
C323—N307—C319	115.1 (19)	N324—C368—C369	123.7 (17)
C323—N307—Zn43	130.1 (16)	N324—C368—H368	118.1
C323—N307—Zn53	145.2 (18)	C369—C368—H368	118.1
N323—C366—C367	121.8 (14)	O2A—C14A—H14A	109.5
N323—C366—H366	119.1	O2A—C14A—H14B	109.5
C367—C366—H366	119.1	O2A—C14A—H14C	109.5
N303—C307—N304	124.0 (11)	H14A—C14A—H14B	109.5
N303—C307—C309	119.7 (11)	H14A—C14A—H14C	109.5
N304—C307—C309	116.1 (11)	H14B—C14A—H14C	109.5
C388—C389—H389	120.6	C334—C333—H333	119.7
C390—C389—C388	118.8 (11)	C334—C333—C332	121 (2)
C390—C389—H389	120.6	C332—C333—H333	119.7
N328—C379—C381	117.2 (9)	N312—C332—C333	120 (2)
N327—C379—N328	126.2 (9)	N312—C332—H332	119.8
N327—C379—C381	116.5 (10)	C333—C332—H332	119.8
N335—C401—C400	123.9 (13)	N323^i—Zn48—N329	102.8 (9)
N335—C401—H401	118.0	N323^i—Zn48—I416	107.8 (7)
C400—C401—H401	118.0	N323^i—Zn48—I415	110.8 (8)
N332—C396—N333	125.5 (14)	N329—Zn48—I416	105.6 (7)
N332—C396—C393	117.8 (12)	N329—Zn48—I415	107.7 (7)
N333—C396—C393	116.7 (11)	I416—Zn48—I415	120.6 (8)
N302—C306—N303	125.3 (11)	N325—Zn47—I414	105.9 (5)
N302—C306—C303	119.4 (10)	N325—Zn47—I413	106.9 (5)
N303—C306—C303	115.3 (11)	N324—Zn47—N325	102.5 (6)
C350—N318—Zn36	129.1 (12)	N324—Zn47—I414	109.5 (6)
C350—N318—C354	120.8 (15)	N324—Zn47—I413	105.5 (5)
C350—N318—Zn46	110.8 (13)	I413—Zn47—I414	124.5 (5)
C354—N318—Zn36	110.0 (14)	N330—Zn49—N331	98.5 (8)
C354—N318—Zn46	128.1 (15)	N330—Zn49—I417	102.5 (9)
C326—N308—C324	115.5 (15)	N330—Zn49—I418	105.5 (9)
C370—C371—H371	120.0	N331—Zn49—I417	104.9 (9)
C370—C371—C372	120.1 (13)	N331—Zn49—I418	130.1 (11)
C372—C371—H371	120.0	I417—Zn49—I418	111.5 (9)
C13A—O1A—H1A	109.5	N317—Zn45—N311^iv	94.1 (8)
C325—N309—C324	115.9 (15)	N317—Zn45—I409	118.2 (8)
N322—C362—C370	116.9 (13)	N317—Zn45—I410	95.7 (7)
N320—C362—N322	125.5 (13)	N311^iv—Zn45—I409	125.6 (9)
N320—C362—C370	117.6 (11)	N311^iv—Zn45—I410	90.0 (9)
C336—N312—Zn34	124.7 (13)	I410—Zn45—I409	125.1 (7)
C336—N312—C332	119.5 (16)	N318—Zn46—I411	116.1 (7)
C332—N312—Zn34	115.6 (12)	N318—Zn46—I412	100.4 (6)
N329—C383—H383	118.9	N319—Zn46—N318	101.8 (6)
N329—C383—C382	122.3 (12)	N319—Zn46—I411	116.7 (7)
C382—C383—H383	118.9	N319—Zn46—I412	96.4 (8)
C381—C382—H382	119.8	I411—Zn46—I412	121.8 (4)
C383—C382—C381	120.4 (11)	N306—Zn43—I405	115.1 (7)
C383—C382—H382	119.8	N306—Zn43—I406	100.7 (7)
C399—C403—H403	120.7	N307—Zn43—N306	103.0 (8)
C402—C403—C399	118.6 (13)	N307—Zn43—I405	115.0 (8)
C402—C403—H403	120.7	N307—Zn43—I406	102.1 (8)
N315—C342—C339	115.5 (12)	I406—Zn43—I405	118.6 (7)
N314—C342—N315	125.4 (12)	N325—Zn57—I513	123 (5)
N314—C342—C339	119.1 (12)	N325—Zn57—I514	91 (3)
C340—C339—C342	121.3 (13)	N324—Zn57—N325	102 (3)
C338—C339—C342	123.3 (14)	N324—Zn57—I513	112 (4)
C338—C339—C340	115.3 (16)	N324—Zn57—I514	105 (4)
C406—C407—H407	120.1	I513—Zn57—I514	120 (3)
C406—C407—C408	119.7 (14)	N329—Zn58—I516	121 (4)
C408—C407—H407	120.1	N329—Zn58—I515	93 (4)
N329—C384—H384	118.7	I516—Zn58—I515	129 (4)
N329—C384—C385	122.6 (11)	N336^iii—Zn42—N305	106.5 (7)
C385—C384—H384	118.7	N336^iii—Zn42—I404	106.3 (8)
C351—C352—C344	122.2 (14)	N336^iii—Zn42—I403	108.8 (7)
C353—C352—C344	120.2 (13)	N305—Zn42—I404	103.0 (6)
C353—C352—C351	117.6 (14)	N305—Zn42—I403	104.9 (7)
N301—C305—H305	118.2	I404—Zn42—I403	125.9 (6)
N301—C305—C304	123.6 (12)	C5A—C6A—C1A	121.2 (12)
C304—C305—H305	118.2	C5A—C6A—H6A	119.4
N336—C408—C407	122.9 (17)	C1A—C6A—H6A	119.4
N336—C408—H408	118.5	N335^ii—Zn41—I401	109.6 (7)
C407—C408—H408	118.5	N335^ii—Zn41—I402	105.3 (6)
N321—C360—C357	119.8 (13)	N301—Zn41—N335^ii	97.2 (8)
N320—C360—N321	123.4 (15)	N301—Zn41—I401	110.6 (7)
N320—C360—C357	116.7 (13)	N301—Zn41—I402	103.0 (6)
C375—C374—H374	120.1	I401—Zn41—I402	127.0 (7)
C373—C374—C375	119.8 (11)	N306—Zn53—I506	94.9 (12)
C373—C374—H374	120.1	N306—Zn53—I505	119.5 (17)
C381—C385—H385	120.1	N307—Zn53—N306	92.7 (16)
C384—C385—C381	119.8 (11)	N307—Zn53—I506	76.6 (13)
C384—C385—H385	120.1	N307—Zn53—I505	131.5 (18)
C393—C392—H392	120.2	I505—Zn53—I506	129.2 (17)
C393—C392—C391	119.6 (14)	N319—C355—H355	118.4
C391—C392—H392	120.2	C356—C355—N319	123 (2)
C310—C309—C307	122.3 (11)	C356—C355—H355	118.4
C313—C309—C307	118.7 (11)	C357—C356—H356	119.7
C313—C309—C310	118.9 (11)	C355—C356—C357	121 (2)
C388—C387—H387	120.2	C355—C356—H356	119.7
C386—C387—C388	119.6 (12)	N319—C359—H359	118.7
C386—C387—H387	120.2	N319—C359—C358	123 (2)
N315—C343—N316	126.7 (11)	C358—C359—H359	118.7
N315—C343—C345	117.6 (12)	C357—C358—C359	121 (2)
N316—C343—C345	115.7 (12)	C357—C358—H358	119.7
N301—C301—H301	118.9	C359—C358—H358	119.7
C302—C301—N301	122.2 (13)	N317—C348—H348	119.6
C302—C301—H301	118.9	N317—C348—C349	121 (2)
C303—C302—H302	119.8	C349—C348—H348	119.6
C301—C302—C303	120.5 (11)	C345—C349—H349	120.6
C301—C302—H302	119.8	C348—C349—C345	118.9 (19)
N314—C344—C352	117.0 (12)	C348—C349—H349	120.6
Zn38^v—N323—C366—C367	−172.6 (9)	C360—N321—C361—C363	−175.7 (11)
Zn38^v—N323—C365—C364	173.8 (12)	C360—N320—C362—N322	−2 (2)
Zn38—N329—C383—C382	−176.4 (14)	C360—N320—C362—C370	177.6 (12)
Zn38—N329—C384—C385	177.1 (14)	C360—C357—C356—C355	178 (3)
Zn31^vii—N335—C401—C400	172.5 (9)	C360—C357—C358—C359	−180 (2)
Zn31^vii—N335—C402—C403	−172.1 (12)	C374—C375—C378—N327	7 (2)
Zn31—N301—C305—C304	−175.8 (14)	C374—C375—C378—N326	−169.3 (14)
Zn31—N301—C301—C302	174.5 (14)	C374—C375—C376—C377	−1 (3)
Zn37—N325—C373—C374	172.1 (12)	C385—C381—C379—N328	−4 (2)
Zn37—N325—C377—C376	−174.8 (16)	C385—C381—C379—N327	178.4 (13)
Zn37—N324—C372—C371	−175.8 (12)	C385—C381—C382—C383	0 (2)
Zn37—N324—C368—C369	179 (2)	C392—C393—C396—N332	−159.5 (13)
Zn39—N330—C390—C389	179.7 (11)	C392—C393—C396—N333	20.3 (18)
Zn39—N330—C386—C387	180 (100)	C392—C393—C394—C395	0 (2)
Zn39—N331—C395—C394	175.5 (13)	C309—C310—C311—N305	0 (3)
Zn39—N331—C391—C392	−177.8 (13)	C387—C388—C380—N328	−164.3 (14)
Zn32^vi—N336—C408—C407	−169.7 (10)	C387—C388—C380—N326	11 (2)
Zn32^vi—N336—C404—C405	171.2 (14)	C387—C388—C389—C390	2 (2)
Zn32—N305—C312—C313	167 (2)	C343—N315—C342—N314	−3 (2)
Zn32—N305—C311—C310	−169.6 (14)	C343—N315—C342—C339	177.7 (13)
Zn34—N313—C337—C338	176.0 (14)	C343—N316—C344—N314	−2 (2)
Zn34—N313—C341—C340	−174.9 (17)	C343—N316—C344—C352	172.3 (13)
Zn34—N312—C336—C335	−178.7 (15)	C343—C345—C449—C448	168 (5)
Zn34—N312—C332—C333	−177 (3)	C343—C345—C349—C348	−180 (2)
Zn33—N306—C318—C317	178.5 (16)	C301—N301—C305—C304	1 (3)
Zn33—N306—C314—C315	−178.4 (13)	C302—C303—C306—N302	−179.7 (15)
Zn33—N307—C319—C320	169 (2)	C302—C303—C306—N303	2 (2)
Zn33—N307—C323—C322	−174 (2)	C302—C303—C304—C305	−1 (3)
Zn35—N317—C347—C346	−166.4 (14)	C344—N314—C342—N315	3 (2)
Zn35—N317—C448—C449	157 (5)	C344—N314—C342—C339	−178.7 (14)
Zn35^viii—N311—C330—C331	−171.8 (13)	C344—N316—C343—N315	1 (2)
Zn35^viii—N311—C329—C328	174.2 (16)	C344—N316—C343—C345	−177.3 (13)
Zn36—N318—C350—C351	179.3 (14)	C344—C352—C351—C350	175.5 (16)
Zn36—N318—C354—C353	178.0 (18)	C344—C352—C353—C354	−177.9 (19)
N323—C365—C364—C363	0 (2)	C310—C309—C313—C312	−2 (3)
N332—C398—C406—C407	178.3 (11)	C395—N331—C391—C392	3 (2)
N332—C398—C406—C405	−2.1 (17)	N319—C355—C356—C357	8 (5)
N329—C383—C382—C381	0 (3)	N319—C359—C358—C357	−4 (5)
N329—C384—C385—C381	−2 (3)	C318—N306—C314—C315	3 (3)
N334—C398—C406—C407	1.7 (16)	C325—N310—C326—N308	3 (3)
N334—C398—C406—C405	−178.7 (12)	C325—N310—C326—C334	−175.9 (15)
N330—C390—C389—C388	−1 (2)	C325—N309—C324—N308	4 (3)
N330—C386—C387—C388	2 (3)	C325—N309—C324—C321	−175.2 (15)
N302—C308—C316—C317	−172.8 (15)	C325—C327—C331—C330	177.6 (17)
N302—C308—C316—C315	7 (2)	C325—C327—C328—C329	−175 (2)
N303—C307—C309—C310	9 (2)	C304—C303—C306—N302	1 (2)
N303—C307—C309—C313	−170.2 (18)	C304—C303—C306—N303	−177.5 (15)
N331—C395—C394—C393	4 (3)	C304—C303—C302—C301	0 (3)
N315—C342—C339—C340	−177.5 (17)	C402—N335—C401—C400	−6.0 (18)
N315—C342—C339—C338	2 (2)	C376—C375—C378—N327	−173.2 (15)
N315—C343—C345—C346	−1 (2)	C376—C375—C378—N326	10 (2)
N315—C343—C345—C449	−158 (5)	C376—C375—C374—C373	−2 (2)
N315—C343—C345—C349	176 (3)	C7A—C4A—C5A—C13A	−1 (3)
N314—C342—C339—C340	4 (3)	C7A—C4A—C5A—C6A	177.7 (16)
N314—C342—C339—C338	−177.1 (16)	C7A—C12A—C11A—C10A	0 (3)
C399—C400—C401—N335	1.8 (18)	C7A—C8A—C9A—C10A	1 (3)
C399—C403—C402—N335	−2 (2)	C394—C393—C396—N332	22.3 (18)
N325—C373—C374—C375	2 (2)	C394—C393—C396—N333	−157.9 (13)
N305—C312—C313—C309	5 (4)	C394—C393—C392—C391	−2 (2)
N321—C360—C357—C356	14 (3)	C372—N324—C368—C369	5 (3)
N321—C360—C357—C358	−161 (2)	C365—N323—C366—C367	4.1 (17)
C398—N332—C396—N333	0.9 (16)	C3A—C4A—C5A—C13A	−179.3 (17)
C398—N332—C396—C393	−179.4 (10)	C3A—C4A—C5A—C6A	−1 (3)
C398—N334—C397—N333	−1.7 (15)	C346—C345—C449—C448	10 (8)
C398—N334—C397—C399	−177.2 (9)	C346—C345—C349—C348	−3 (5)
C398—C406—C407—C408	176.1 (11)	C364—C363—C361—N322	165.6 (11)
C398—C406—C405—C404	−175.0 (14)	C364—C363—C361—N321	−15.9 (17)
O3A—C12A—C11A—C10A	176 (2)	C364—C363—C367—C366	−1.3 (18)
N306—C318—C317—C316	0 (3)	C350—N318—C354—C353	−3 (3)
N301—C305—C304—C303	1 (3)	C326—N310—C325—N309	−2 (2)
N301—C301—C302—C303	2 (3)	C326—N310—C325—C327	173.4 (15)
C375—C376—C377—N325	3 (3)	C326—N308—C324—N309	−3 (3)
N316—C343—C345—C346	177.8 (15)	C326—N308—C324—C321	176.3 (16)
N316—C343—C345—C449	21 (5)	C326—C334—C335—C336	177.6 (18)
N316—C343—C345—C349	−5 (3)	C326—C334—C333—C332	−174 (3)
N304—C308—C316—C317	12 (2)	C324—N308—C326—N310	−1 (3)
N304—C308—C316—C315	−167.6 (16)	C324—N308—C326—C334	178.3 (16)
N304—C307—C309—C310	−175.5 (15)	C324—N309—C325—N310	−2 (2)
N304—C307—C309—C313	6 (2)	C324—N309—C325—C327	−176.7 (16)
C363—C367—C366—N323	−2.0 (18)	C324—C321—C322—C323	177 (2)
C380—N328—C379—N327	0 (2)	C324—C321—C320—C319	178 (2)
C380—N328—C379—C381	−177.3 (12)	C345—C346—C347—N317	−2 (3)
C380—N326—C378—N327	4 (2)	C317—C316—C315—C314	−1 (3)
C380—N326—C378—C375	179.9 (13)	C4A—C7A—C12A—O3A	0 (3)
C380—C388—C389—C390	−177.1 (13)	C4A—C7A—C12A—C11A	176.0 (18)
C380—C388—C387—C386	176.5 (15)	C4A—C7A—C8A—O2A	4 (3)
N310—C325—C327—C331	−8 (3)	C4A—C7A—C8A—C9A	−176.2 (18)
N310—C325—C327—C328	167.3 (18)	C4A—C3A—C2A—C1A	−1 (2)
N310—C326—C334—C335	−13 (3)	C4A—C5A—C13A—O1A	−159.7 (17)
N310—C326—C334—C333	163 (2)	C4A—C5A—C6A—C1A	1 (3)
C406—C407—C408—N336	2 (2)	C327—C331—C330—N311	−1 (3)
C406—C405—C404—N336	−4 (3)	C327—C328—C329—N311	−5 (4)
C378—N327—C379—N328	3 (2)	C334—C335—C336—N312	−1 (3)
C378—N327—C379—C381	−179.3 (12)	C334—C333—C332—N312	−7 (5)
C378—N326—C380—N328	0 (2)	C391—N331—C395—C394	−5 (2)
C378—N326—C380—C388	−175.0 (12)	C335—C334—C333—C332	2 (4)
C378—C375—C374—C373	178.1 (14)	C337—N313—C341—C340	0 (3)
C378—C375—C376—C377	179.7 (17)	C312—N305—C311—C310	3 (3)
C390—N330—C386—C387	−1 (3)	C311—N305—C312—C313	−6 (4)
C397—N334—C398—N332	−0.6 (15)	C340—C339—C338—C337	−1 (3)
C397—N334—C398—C406	175.6 (9)	C405—C406—C407—C408	−4 (2)
C397—N333—C396—N332	−2.8 (16)	C336—N312—C332—C333	8 (4)
C397—N333—C396—C393	177.4 (9)	C315—C316—C317—C318	1 (3)
C397—C399—C400—C401	−178.6 (10)	C321—C322—C323—N307	−1 (5)
C397—C399—C403—C402	178.9 (12)	C331—C327—C328—C329	1 (3)
C361—N322—C362—N320	3.6 (19)	C351—C352—C344—N314	6 (2)
C361—N322—C362—C370	−175.6 (11)	C351—C352—C344—N316	−169.2 (16)
C361—N321—C360—N320	0 (2)	C351—C352—C353—C354	1 (3)
C361—N321—C360—C357	−177.3 (13)	C314—N306—C318—C317	−2 (3)
C361—C363—C367—C366	175.4 (11)	C12A—C7A—C4A—C3A	−72 (2)
C361—C363—C364—C365	−174.5 (12)	C12A—C7A—C4A—C5A	109 (2)
C367—C363—C361—N322	−11.2 (15)	C12A—C7A—C8A—O2A	−179.0 (17)
C367—C363—C361—N321	167.3 (11)	C12A—C7A—C8A—C9A	0 (3)
C367—C363—C364—C365	2 (2)	C12A—C11A—C10A—C9A	2 (4)
C393—C392—C391—N331	0 (3)	C8A—C7A—C4A—C3A	104 (2)
C400—C399—C397—N334	−177.0 (10)	C8A—C7A—C4A—C5A	−74 (2)
C400—C399—C397—N333	7.1 (15)	C8A—C7A—C12A—O3A	−177.1 (17)
C400—C399—C403—C402	−2 (2)	C8A—C7A—C12A—C11A	−1 (3)
O2A—C8A—C9A—C10A	−180 (2)	C8A—C9A—C10A—C11A	−2 (4)
N317—C448—C449—C345	21 (11)	C338—C339—C340—C341	3 (3)
N317—C348—C349—C345	−6 (5)	C2A—C3A—C4A—C7A	−177.6 (15)
N320—C360—C357—C356	−164 (2)	C2A—C3A—C4A—C5A	1 (2)
N320—C360—C357—C358	21 (3)	C2A—C1A—C6A—C5A	0 (3)
C370—C371—C372—N324	−2 (2)	C319—N307—C323—C322	4 (4)
C370—C369—C368—N324	−3 (4)	C377—N325—C373—C374	0 (2)
C308—N302—C306—N303	4 (2)	C347—N317—C448—C449	−41 (9)
C308—N302—C306—C303	−174.6 (13)	C347—N317—C348—C349	11 (5)
C308—N304—C307—N303	−1 (2)	C347—C346—C345—C343	−176.4 (16)
C308—N304—C307—C309	−176.8 (14)	C347—C346—C345—C449	−19 (5)
C308—C316—C317—C318	−178.7 (18)	C347—C346—C345—C349	6 (4)
C308—C316—C315—C314	178.9 (16)	C341—N313—C337—C338	1 (3)
C386—N330—C390—C389	0 (2)	C353—C352—C344—N314	−175.6 (17)
C316—C315—C314—N306	−1 (3)	C353—C352—C344—N316	9 (2)
C373—N325—C377—C376	−3 (3)	C353—C352—C351—C350	−3 (3)
N313—C337—C338—C339	0 (3)	C313—C309—C310—C311	−1 (3)
N307—C319—C320—C321	11 (4)	C354—N318—C350—C351	1 (3)
C366—N323—C365—C364	−3 (2)	C15A—O3A—C12A—C7A	−174.1 (18)
C307—N303—C306—N302	−6 (2)	C15A—O3A—C12A—C11A	10 (3)
C307—N303—C306—C303	172.9 (13)	C404—N336—C408—C407	−1 (2)
C307—N304—C308—N302	−1 (2)	C322—C321—C320—C319	−6 (4)
C307—N304—C308—C316	173.5 (13)	C330—N311—C329—C328	6 (3)
C307—C309—C310—C311	−179.4 (15)	C323—N307—C319—C320	−9 (4)
C307—C309—C313—C312	177 (2)	C448—N317—C347—C346	31 (5)
C389—C388—C380—N328	15 (2)	C320—C321—C322—C323	2 (4)
C389—C388—C380—N326	−169.8 (13)	C13A—C5A—C6A—C1A	179.0 (18)
C389—C388—C387—C386	−2 (2)	C328—C327—C331—C330	2 (3)
C379—N328—C380—N326	−2 (2)	C369—C370—C371—C372	4 (2)
C379—N328—C380—C388	173.1 (12)	C369—C370—C362—N322	152.4 (17)
C379—N327—C378—N326	−5 (2)	C369—C370—C362—N320	−27 (2)
C379—N327—C378—C375	178.5 (12)	C329—N311—C330—C331	−3 (3)
C379—C381—C382—C383	−177.7 (14)	C368—N324—C372—C371	−2 (3)
C379—C381—C385—C384	178.5 (14)	C14A—O2A—C8A—C7A	−175 (2)
C401—N335—C402—C403	6 (2)	C14A—O2A—C8A—C9A	5 (3)
C396—N332—C398—N334	1.0 (16)	C333—C334—C335—C336	1 (3)
C396—N332—C398—C406	−175.1 (9)	C332—N312—C336—C335	−5 (3)
C396—N333—C397—N334	3.3 (15)	Zn48^v—N323—C366—C367	−171.8 (10)
C396—N333—C397—C399	178.6 (9)	Zn48^v—N323—C365—C364	173.0 (12)
C396—C393—C392—C391	179.7 (14)	Zn48—N329—C383—C382	−178.0 (14)
C396—C393—C394—C395	178.0 (14)	Zn48—N329—C384—C385	178.9 (14)
C306—N302—C308—N304	−1 (2)	Zn47—N325—C373—C374	173.0 (12)
C306—N302—C308—C316	−174.8 (14)	Zn47—N325—C377—C376	−175.6 (16)
C306—N303—C307—N304	4 (2)	Zn47—N324—C372—C371	−175.9 (12)
C306—N303—C307—C309	179.7 (14)	Zn47—N324—C368—C369	179 (2)
C306—C303—C302—C301	−178.9 (16)	Zn49—N330—C390—C389	177.0 (13)
C306—C303—C304—C305	177.8 (16)	Zn49—N330—C386—C387	−176.3 (15)
N318—C350—C351—C352	2 (3)	Zn49—N331—C395—C394	163.8 (15)
N308—C326—C334—C335	167.6 (18)	Zn49—N331—C391—C392	−169.3 (16)
N308—C326—C334—C333	−16 (3)	Zn45—N317—C347—C346	164.5 (16)
N308—C324—C321—C322	18 (3)	Zn45—N317—C348—C349	−158 (2)
N308—C324—C321—C320	−167 (2)	Zn45^viii—N311—C330—C331	−166.7 (17)
C371—C370—C362—N322	−22 (2)	Zn45^viii—N311—C329—C328	177 (2)
C371—C370—C362—N320	158.5 (14)	Zn46—N318—C350—C351	176.3 (15)
C371—C370—C369—C368	−1 (3)	Zn46—N318—C354—C353	−177.8 (16)
N309—C325—C327—C331	167.3 (17)	Zn46—N319—C355—C356	−178 (3)
N309—C325—C327—C328	−17 (3)	Zn46—N319—C359—C358	174 (2)
N309—C324—C321—C322	−162 (2)	Zn43—N306—C318—C317	−177.3 (15)
N309—C324—C321—C320	13 (3)	Zn43—N306—C314—C315	178.3 (15)
C362—N322—C361—N321	−4.1 (17)	Zn43—N307—C319—C320	177 (2)
C362—N322—C361—C363	174.2 (10)	Zn43—N307—C323—C322	177 (2)
C362—N320—C360—N321	0 (2)	Zn57—N325—C373—C374	−171 (2)
C362—N320—C360—C357	177.0 (14)	Zn57—N325—C377—C376	166 (3)
C362—C370—C371—C372	178.4 (14)	Zn57—N324—C372—C371	175 (5)
C362—C370—C369—C368	−176 (2)	Zn57—N324—C368—C369	−174 (4)
C383—N329—C384—C385	1 (2)	Zn58—N329—C383—C382	−152 (2)
C382—C381—C379—N328	173.4 (13)	Zn58—N329—C384—C385	155 (3)
C382—C381—C379—N327	−4 (2)	Zn42^vi—N336—C408—C407	−169.0 (11)
C382—C381—C385—C384	1 (2)	Zn42^vi—N336—C404—C405	171.6 (15)
C403—C399—C397—N334	1.6 (16)	Zn42—N305—C311—C310	−179.2 (14)
C403—C399—C397—N333	−174.2 (11)	C6A—C5A—C13A—O1A	22 (3)
C403—C399—C400—C401	2.7 (17)	C6A—C1A—C2A—C3A	0 (3)
C342—N315—C343—N316	1 (2)	Zn41^vii—N335—C401—C400	170.2 (10)
C342—N315—C343—C345	179.9 (13)	Zn41^vii—N335—C402—C403	−170.0 (12)
C342—N314—C344—N316	1 (2)	Zn41—N301—C305—C304	−164.7 (16)
C342—N314—C344—C352	−174.1 (13)	Zn41—N301—C301—C302	163.4 (15)
C342—C339—C340—C341	−178.0 (18)	Zn53—N306—C318—C317	−168 (2)
C342—C339—C338—C337	179.2 (17)	Zn53—N306—C314—C315	174.0 (18)
C339—C340—C341—N313	−2 (3)	Zn53—N307—C319—C320	−176 (3)
C407—C406—C405—C404	5 (2)	Zn53—N307—C323—C322	161 (3)
C384—N329—C383—C382	0 (2)	C355—N319—C359—C358	4 (5)
C352—C353—C354—N318	3 (4)	C356—C357—C358—C359	5 (4)
C305—N301—C301—C302	−3 (3)	C359—N319—C355—C356	−6 (5)
C408—N336—C404—C405	2 (3)	C358—C357—C356—C355	−7 (4)
C360—N321—C361—N322	2.5 (18)	C348—N317—C347—C346	−7 (4)

Symmetry codes: (i) x, −y+2, z+1/2; (ii) x−1/2, y−3/2, z−1; (iii) x−1/2, −y+3/2, z−1/2; (iv) x, −y+1, z+1/2; (v) x, −y+2, z−1/2; (vi) x+1/2, −y+3/2, z+1/2; (vii) x+1/2, y+3/2, z+1; (viii) x, −y+1, z−1/2.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (25_1_96c)

Crystal data

C108H72I18N36Zn9·0.944(C15H16O3)	F(000) = 18550
Mr = 4977.17	Dx = 1.397 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 77.257 (6) Å	Cell parameters from 4599 reflections
b = 15.0021 (8) Å	θ = 3.4–70.0°
c = 41.5124 (18) Å	µ = 19.73 mm^−1
β = 100.342 (5)°	T = 100 K
V = 47332 (5) Å^3	Block, light yellow
Z = 8	0.19 × 0.15 × 0.13 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	43077 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	20894 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.082
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.2°
profile data from ω–scans	h = −92→92
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −16→18
Tmin = 0.103, Tmax = 0.257	l = −45→50
156082 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.129	H-atom parameters constrained
wR(F^2) = 0.446	w = 1/[σ^2(Fo^2) + (0.2235P)^2 + 478.5298P] where P = (Fo^2 + 2Fc^2)/3
S = 1.03	(Δ/σ)max = 0.007
43077 reflections	Δρmax = 1.37 e Å^−3
2310 parameters	Δρmin = −1.16 e Å^−3
1034 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I318	0.91043 (8)	1.4979 (4)	1.23293 (14)	0.119 (2)	0.4995
I407	0.54835 (7)	−0.3977 (7)	0.7211 (2)	0.127 (3)	0.41 (3)
I311	0.7463 (2)	0.9842 (6)	0.8945 (3)	0.135 (5)	0.4352
I408	0.60385 (9)	−0.4736 (4)	0.7696 (2)	0.128 (3)	0.41 (3)
I301	0.37989 (8)	−0.9048 (5)	0.39442 (17)	0.128 (3)	0.4483
I306	0.5796 (2)	0.4863 (5)	0.5572 (2)	0.205 (7)	0.466 (3)
I313	0.71527 (10)	0.1070 (8)	1.0554 (2)	0.120 (3)	0.4006
I302	0.43426 (11)	−0.9980 (3)	0.43234 (14)	0.1117 (17)	0.4483
I314	0.76889 (19)	0.0115 (7)	1.1004 (2)	0.137 (3)	0.4006
I312	0.69647 (8)	0.8321 (8)	0.9044 (2)	0.128 (3)	0.4352
I305	0.53006 (14)	0.3344 (9)	0.56661 (14)	0.202 (7)	0.466 (3)
I317	0.86280 (14)	1.3336 (9)	1.2410 (3)	0.125 (2)	0.4995
I303	0.56024 (8)	−0.4534 (2)	0.34107 (10)	0.1254 (16)	0.5269
I304	0.55950 (9)	−0.4592 (3)	0.44813 (13)	0.135 (2)	0.5269
I316	0.89799 (5)	0.5224 (2)	1.09023 (12)	0.0999 (12)	0.486 (10)
I315	0.89401 (7)	0.5984 (3)	0.98587 (10)	0.1216 (15)	0.486 (10)
I310	0.73104 (6)	0.0152 (2)	0.75352 (18)	0.1111 (17)	0.438 (12)
Zn44	0.57903 (9)	−0.3640 (6)	0.7504 (2)	0.092 (4)	0.41 (3)
Zn39	0.89419 (13)	1.3503 (4)	1.23341 (13)	0.108 (4)	0.4995
Zn31	0.41147 (10)	−0.8736 (6)	0.4210 (2)	0.101 (4)	0.4483
I309	0.72844 (8)	0.0874 (3)	0.64900 (14)	0.1227 (18)	0.438 (12)
Zn36	0.72792 (11)	0.8452 (7)	0.8956 (2)	0.093 (5)	0.4352
Zn33	0.56125 (14)	0.3467 (4)	0.55873 (11)	0.136 (6)	0.466 (3)
Zn37	0.74643 (13)	0.1329 (8)	1.0842 (3)	0.092 (5)	0.4006
Zn32	0.54874 (10)	−0.3994 (3)	0.39090 (13)	0.103 (3)	0.5269
Zn38	0.88459 (11)	0.6163 (4)	1.04088 (15)	0.092 (2)	0.486 (10)
Zn35	0.71875 (13)	0.1070 (5)	0.7036 (2)	0.093 (2)	0.438 (12)
N310	0.56415 (19)	0.1932 (6)	0.3994 (2)	0.080 (4)
N325	0.7674 (2)	0.5249 (9)	1.0077 (3)	0.089 (4)
N314	0.6007 (2)	0.0233 (8)	0.6701 (3)	0.086 (4)
N332	0.8998 (2)	1.2015 (8)	1.0750 (3)	0.094 (4)
N303	0.4319 (2)	−0.4821 (7)	0.3441 (2)	0.087 (4)
N311	0.5746 (2)	0.2892 (7)	0.2899 (3)	0.088 (4)
N319	0.7244 (2)	0.5595 (8)	0.7593 (3)	0.092 (4)
N307	0.5509 (2)	−0.2610 (8)	0.3912 (4)	0.102 (5)
N308	0.5569 (2)	0.0585 (7)	0.4243 (2)	0.087 (4)
N316	0.5892 (3)	−0.2639 (9)	0.7241 (3)	0.092 (4)
N321	0.7318 (2)	0.6959 (9)	0.7368 (3)	0.087 (4)
N302	0.4606 (2)	−0.5302 (8)	0.3694 (2)	0.082 (4)
N304	0.4572 (2)	−0.3971 (8)	0.3394 (2)	0.087 (4)
N330	0.8928 (2)	1.0649 (7)	1.0979 (2)	0.084 (4)
N326	0.7963 (2)	0.4771 (9)	1.0329 (3)	0.093 (4)
N309	0.5584 (2)	0.0639 (7)	0.3680 (2)	0.083 (4)
N333	0.9091 (3)	1.3046 (8)	0.9643 (3)	0.110 (6)
N331	0.8938 (2)	1.0761 (10)	1.0409 (3)	0.099 (5)
N315	0.6292 (3)	−0.0275 (8)	0.6953 (3)	0.095 (4)
N305	0.4080 (2)	−0.2294 (9)	0.2692 (3)	0.092 (4)
N320	0.7263 (2)	0.5699 (8)	0.7032 (2)	0.089 (4)
N306	0.5224 (2)	−0.4172 (10)	0.3794 (4)	0.113 (5)
C306	0.4433 (3)	−0.5405 (10)	0.3617 (3)	0.077 (4)
C363	0.7351 (2)	0.7066 (10)	0.6805 (3)	0.082 (4)
N301	0.4211 (3)	−0.7726 (9)	0.3963 (3)	0.092 (4)
C325	0.5622 (2)	0.1507 (9)	0.3721 (3)	0.082 (5)
N324	0.7925 (3)	0.6108 (10)	1.0015 (3)	0.099 (4)
C307	0.4398 (3)	−0.4111 (9)	0.3332 (3)	0.076 (4)
C343	0.6118 (3)	−0.0353 (9)	0.6878 (3)	0.090 (6)
N327	0.7571 (3)	0.2345 (10)	1.0615 (3)	0.104 (5)
C398	0.8965 (2)	1.1527 (9)	1.0994 (3)	0.083 (4)
N312	0.5760 (3)	0.2676 (9)	0.5936 (3)	0.104 (5)
N01O	0.5626 (3)	0.2808 (9)	0.5160 (3)	0.113 (6)
N01P	0.7288 (2)	0.7788 (9)	0.8525 (3)	0.099 (5)
N323	0.7420 (2)	0.7649 (10)	0.9299 (3)	0.095 (4)
N322	0.7433 (3)	0.7972 (9)	0.6277 (3)	0.109 (5)
N329	0.8867 (3)	0.7493 (10)	1.0565 (4)	0.120 (6)
C397	0.8978 (2)	1.1635 (9)	1.0468 (3)	0.082 (4)
C327	0.5668 (3)	0.2001 (9)	0.3436 (3)	0.086 (5)
C379	0.7788 (3)	0.4677 (10)	1.0256 (3)	0.082 (4)
C309	0.4282 (3)	−0.3494 (10)	0.3110 (3)	0.093 (6)
C334	0.5613 (3)	0.1953 (10)	0.4565 (3)	0.091 (5)
C324	0.5558 (2)	0.0192 (8)	0.3950 (3)	0.083 (5)
C331	0.5720 (3)	0.2879 (10)	0.3464 (3)	0.097 (6)
H331	0.573020	0.318573	0.366701	0.116*
C302	0.4177 (3)	−0.6434 (10)	0.3643 (3)	0.085 (5)
H302	0.409754	−0.606190	0.350192	0.102*
C361	0.7302 (2)	0.6550 (8)	0.7088 (3)	0.082 (4)
C321	0.5532 (2)	−0.0791 (8)	0.3928 (3)	0.084 (5)
N334	0.8964 (3)	1.2814 (8)	1.1908 (3)	0.110 (6)
C399	0.9021 (3)	1.2130 (10)	1.0183 (3)	0.097 (6)
C319	0.5489 (3)	−0.2137 (10)	0.3642 (4)	0.100 (6)
H319	0.546576	−0.244465	0.343908	0.120*
C396	0.8920 (3)	1.0305 (8)	1.0674 (3)	0.092 (5)
C345	0.6042 (3)	−0.1141 (11)	0.6994 (3)	0.088 (5)
C362	0.7279 (3)	0.6455 (9)	0.7610 (3)	0.096 (6)
C326	0.5608 (3)	0.1470 (10)	0.4250 (3)	0.087 (5)
C301	0.4119 (3)	−0.7166 (11)	0.3765 (3)	0.090 (5)
H301	0.399765	−0.729650	0.369976	0.108*
C347	0.5798 (3)	−0.2099 (10)	0.7028 (3)	0.087 (5)
H347	0.567561	−0.221613	0.696177	0.104*
N313	0.6258 (3)	0.1069 (10)	0.6646 (4)	0.124 (6)
C360	0.7241 (2)	0.5228 (9)	0.7297 (3)	0.084 (4)
C371	0.7333 (3)	0.7782 (9)	0.7973 (4)	0.108 (7)
H371	0.737021	0.809352	0.779816	0.130*
C303	0.4354 (3)	−0.6205 (10)	0.3722 (3)	0.089 (5)
C346	0.5867 (3)	−0.1398 (9)	0.6902 (3)	0.093 (6)
H346	0.579252	−0.105238	0.674186	0.111*
C378	0.7751 (3)	0.5944 (11)	0.9958 (3)	0.095 (6)
C375	0.7630 (3)	0.6521 (12)	0.9729 (4)	0.101 (6)
N318	0.7192 (3)	0.2438 (9)	0.7189 (5)	0.136 (7)
C357	0.7216 (2)	0.4271 (8)	0.7266 (4)	0.086 (5)
C406	0.8970 (3)	1.1986 (8)	1.1313 (3)	0.085 (5)
C367	0.7403 (3)	0.7936 (9)	0.6837 (3)	0.093 (5)
H367	0.741428	0.822678	0.704265	0.112*
C381	0.7715 (3)	0.3859 (10)	1.0372 (3)	0.083 (4)
C393	0.8895 (3)	0.9307 (9)	1.0643 (3)	0.089 (5)
C342	0.6084 (3)	0.0917 (10)	0.6589 (4)	0.091 (5)
C322	0.5547 (3)	−0.1283 (10)	0.4200 (4)	0.112 (7)
H322	0.556469	−0.100540	0.440871	0.135*
C323	0.5536 (3)	−0.2183 (10)	0.4174 (5)	0.110 (6)
H323	0.555118	−0.251558	0.437167	0.132*
C370	0.7282 (3)	0.6920 (10)	0.7931 (3)	0.090 (5)
C335	0.5668 (3)	0.2808 (9)	0.4605 (3)	0.107 (7)
H335	0.570120	0.312590	0.442734	0.129*
C320	0.5501 (3)	−0.1215 (10)	0.3636 (4)	0.092 (5)
H320	0.548847	−0.089505	0.343601	0.111*
C380	0.8022 (3)	0.5498 (11)	1.0202 (4)	0.106 (7)
C328	0.5655 (3)	0.1587 (9)	0.3139 (3)	0.106 (7)
H328	0.561748	0.098383	0.311379	0.127*
C308	0.4667 (3)	−0.4577 (11)	0.3577 (3)	0.092 (5)
C408	0.9016 (3)	1.3266 (10)	1.1653 (3)	0.104 (6)
H408	0.905281	1.386906	1.168103	0.125*
C402	0.9097 (3)	1.3452 (10)	0.9926 (4)	0.104 (6)
H402	0.912795	1.406609	0.994253	0.125*
C339	0.5971 (4)	0.1580 (10)	0.6361 (4)	0.115 (8)
C382	0.7545 (3)	0.3617 (13)	1.0279 (4)	0.102 (6)
H382	0.747103	0.397195	1.012128	0.123*
C333	0.5559 (4)	0.1485 (10)	0.4836 (3)	0.130 (9)
H333	0.551759	0.088751	0.481936	0.155*
C312	0.4245 (3)	−0.2147 (12)	0.2798 (5)	0.108 (6)
H312	0.429500	−0.162865	0.272121	0.130*
C404	0.8930 (3)	1.1957 (9)	1.1868 (3)	0.122 (8)
H404	0.890711	1.163410	1.205265	0.146*
C330	0.5755 (3)	0.3296 (9)	0.3189 (3)	0.102 (6)
H330	0.578693	0.390809	0.320534	0.122*
C407	0.9013 (3)	1.2856 (11)	1.1363 (4)	0.102 (6)
H407	0.904382	1.319040	1.118705	0.122*
O3A	0.5242 (3)	0.0121 (11)	0.7900 (4)	0.094 (6)	0.4935
C405	0.8926 (4)	1.1488 (11)	1.1580 (3)	0.125 (8)
H405	0.889502	1.087483	1.156128	0.150*
C383	0.7473 (3)	0.2880 (11)	1.0403 (3)	0.093 (5)
H383	0.735139	0.275332	1.033580	0.112*
C336	0.5676 (3)	0.3213 (11)	0.4905 (3)	0.110 (7)
H336	0.571934	0.380691	0.493192	0.132*
C311	0.4017 (3)	−0.3002 (13)	0.2822 (4)	0.117 (7)
H311	0.389398	−0.310570	0.276388	0.140*
C358	0.7220 (3)	0.3705 (11)	0.7521 (4)	0.118 (7)
H358	0.722554	0.394448	0.773418	0.142*
C403	0.9062 (3)	1.3018 (9)	1.0197 (3)	0.097 (6)
H403	0.906513	1.333606	1.039594	0.116*
N328	0.8582 (3)	0.5992 (12)	1.0388 (5)	0.133 (7)
C368	0.7240 (3)	0.6929 (9)	0.8485 (3)	0.117 (8)
H368	0.720685	0.662622	0.866575	0.141*
C317	0.4943 (4)	−0.3845 (15)	0.3487 (5)	0.119 (7)
H317	0.487740	−0.347758	0.332180	0.143*
C332	0.5573 (4)	0.1972 (10)	0.5119 (3)	0.134 (10)
H332	0.554182	0.168039	0.530391	0.161*
C374	0.7458 (3)	0.6487 (13)	0.9688 (5)	0.108 (6)
H374	0.740349	0.608047	0.981303	0.130*
C394	0.8902 (3)	0.8754 (12)	1.0897 (4)	0.110 (6)
H394	0.891513	0.898792	1.111246	0.132*
C391	0.8852 (3)	0.8052 (14)	1.0308 (5)	0.122 (7)
H391	0.883283	0.780597	1.009389	0.147*
C369	0.7235 (3)	0.6459 (11)	0.8198 (3)	0.123 (8)
H369	0.720261	0.584795	0.818213	0.147*
C356	0.7195 (3)	0.3886 (10)	0.6963 (4)	0.121 (8)
H356	0.718288	0.424422	0.677126	0.145*
C329	0.5696 (3)	0.2055 (10)	0.2879 (3)	0.112 (7)
H329	0.568783	0.175805	0.267485	0.135*
C338	0.5796 (3)	0.1557 (14)	0.6321 (5)	0.118 (7)
H338	0.573944	0.114047	0.643959	0.141*
C348	0.6057 (4)	−0.2455 (12)	0.7332 (5)	0.123 (8)
H348	0.612740	−0.283951	0.748422	0.148*
C372	0.7330 (3)	0.8212 (11)	0.8263 (4)	0.104 (6)
H372	0.735963	0.882728	0.828105	0.125*
C373	0.7360 (3)	0.7019 (12)	0.9472 (5)	0.110 (6)
H373	0.723576	0.693885	0.943912	0.133*
C349	0.6138 (3)	−0.1704 (12)	0.7214 (5)	0.110 (6)
H349	0.625923	−0.159186	0.728831	0.132*
C316	0.4861 (3)	−0.4433 (11)	0.3652 (4)	0.094 (5)
C359	0.7215 (3)	0.2758 (13)	0.7479 (5)	0.119 (7)
H359	0.722932	0.237326	0.766404	0.143*
C337	0.5699 (4)	0.2132 (13)	0.6109 (5)	0.127 (8)
H337	0.557478	0.211276	0.609179	0.152*
C392	0.8863 (3)	0.8951 (11)	1.0341 (4)	0.112 (7)
H392	0.884928	0.932426	1.015317	0.134*
O1A	0.4930 (3)	0.2261 (14)	0.6973 (4)	0.092 (6)	0.4935
H1A	0.495237	0.260289	0.682518	0.138*	0.4935
C395	0.8891 (3)	0.7844 (11)	1.0849 (5)	0.112 (6)
H395	0.890180	0.746459	1.103456	0.135*
C344	0.6355 (3)	0.0487 (11)	0.6825 (4)	0.112 (7)
C366	0.7441 (3)	0.8390 (12)	0.6568 (4)	0.116 (7)
H366	0.747172	0.900299	0.658704	0.139*
C313	0.4352 (3)	−0.2687 (14)	0.3013 (5)	0.117 (7)
H313	0.447105	−0.252459	0.309470	0.141*
C304	0.4459 (3)	−0.6799 (15)	0.3920 (5)	0.123 (7)
H304	0.458262	−0.670348	0.397662	0.148*
C364	0.7350 (4)	0.6642 (13)	0.6511 (4)	0.135 (9)
H364	0.732432	0.602315	0.648950	0.161*
C315	0.4960 (3)	−0.4888 (13)	0.3911 (5)	0.108 (6)
H315	0.490648	−0.529213	0.403980	0.130*
C385	0.7821 (3)	0.3338 (16)	1.0596 (7)	0.143 (9)
H385	0.794055	0.349594	1.067379	0.171*
C318	0.5133 (4)	−0.3786 (15)	0.3566 (5)	0.139 (10)
H318	0.519068	−0.342032	0.343162	0.167*
O2A	0.5406 (3)	0.0701 (12)	0.6890 (5)	0.094 (6)	0.4935
C352	0.6546 (3)	0.0606 (12)	0.6899 (5)	0.116 (7)
C310	0.4109 (3)	−0.3585 (13)	0.3028 (5)	0.110 (6)
H310	0.405144	−0.406405	0.311397	0.132*
C400	0.9023 (4)	1.1712 (11)	0.9889 (4)	0.143 (11)
H400	0.900963	1.108292	0.987332	0.172*
C390	0.8499 (4)	0.5404 (19)	1.0589 (7)	0.142 (9)
H390	0.856839	0.513858	1.077709	0.171*
C355	0.7191 (4)	0.2965 (14)	0.6939 (6)	0.143 (9)
H355	0.718716	0.270430	0.672926	0.172*
C365	0.7386 (4)	0.7117 (12)	0.6251 (4)	0.148 (11)
H365	0.737660	0.682960	0.604470	0.177*
C388	0.8213 (3)	0.5662 (15)	1.0261 (5)	0.118 (6)
C401	0.9045 (4)	1.2186 (11)	0.9623 (4)	0.138 (10)
H401	0.902668	1.189978	0.941576	0.166*
C384	0.7747 (4)	0.2540 (13)	1.0712 (5)	0.126 (8)
H384	0.781959	0.214848	1.085688	0.151*
C314	0.5139 (4)	−0.4737 (15)	0.3977 (6)	0.130 (8)
H314	0.520697	−0.503776	0.415769	0.156*
C389	0.8328 (4)	0.5225 (16)	1.0518 (6)	0.139 (9)
H389	0.828065	0.478821	1.064305	0.167*
N317	0.6908 (3)	0.0869 (13)	0.7019 (7)	0.142 (8)
C353	0.6649 (4)	0.0192 (17)	0.7165 (7)	0.153 (11)
H353	0.659701	−0.020700	0.729839	0.183*
C4A	0.5337 (3)	0.1369 (12)	0.7474 (5)	0.073 (5)	0.4935
C5A	0.5221 (3)	0.1993 (12)	0.7307 (5)	0.079 (6)	0.4935
C6A	0.5246 (3)	0.2883 (12)	0.7386 (5)	0.079 (6)	0.4935
H6A	0.516473	0.331107	0.728087	0.095*	0.4935
C1A	0.5389 (3)	0.3166 (13)	0.7617 (5)	0.085 (6)	0.4935
H1AA	0.540573	0.378231	0.766459	0.102*	0.4935
C2A	0.5506 (3)	0.2545 (13)	0.7777 (5)	0.079 (6)	0.4935
H2A	0.560551	0.273175	0.793183	0.095*	0.4935
C3A	0.5478 (3)	0.1649 (12)	0.7708 (4)	0.068 (5)	0.4935
H3A	0.555617	0.121969	0.782276	0.081*	0.4935
C387	0.8294 (4)	0.6303 (19)	1.0104 (7)	0.150 (9)
H387	0.822943	0.670369	0.995043	0.180*
C386	0.8478 (4)	0.633 (2)	1.0182 (9)	0.159 (11)
H386	0.853015	0.669813	1.003980	0.191*
C351	0.6624 (4)	0.124 (2)	0.6734 (9)	0.185 (15)
H351	0.655668	0.163715	0.658185	0.222*
C7A	0.5322 (3)	0.0392 (8)	0.7389 (4)	0.082 (6)	0.4935
C12A	0.5274 (3)	−0.0206 (12)	0.7612 (4)	0.087 (6)	0.4935
C11A	0.5260 (3)	−0.1110 (11)	0.7538 (5)	0.095 (7)	0.4935
H11A	0.522708	−0.151881	0.769091	0.114*	0.4935
C10A	0.5296 (3)	−0.1416 (9)	0.7241 (5)	0.101 (7)	0.4935
H10A	0.528690	−0.203338	0.719016	0.121*	0.4935
C9A	0.5345 (3)	−0.0818 (12)	0.7017 (4)	0.098 (7)	0.4935
H9A	0.536899	−0.102651	0.681417	0.117*	0.4935
C8A	0.5358 (3)	0.0086 (11)	0.7092 (4)	0.084 (6)	0.4935
C350	0.6813 (4)	0.1273 (18)	0.6806 (9)	0.178 (14)
H350	0.686878	0.164934	0.667186	0.214*
C376	0.7704 (5)	0.695 (3)	0.9468 (8)	0.111 (7)	0.49 (2)
H376	0.782054	0.683529	0.943520	0.133*	0.49 (2)
C340	0.6045 (5)	0.197 (2)	0.6109 (6)	0.112 (7)	0.537 (18)
H340	0.616177	0.183537	0.608075	0.134*	0.537 (18)
C13A	0.5069 (4)	0.1643 (18)	0.7055 (7)	0.095 (7)	0.4935
H13A	0.511393	0.147976	0.685403	0.114*	0.4935
H13B	0.502264	0.109477	0.714147	0.114*	0.4935
C15A	0.5164 (5)	−0.044 (2)	0.8115 (8)	0.111 (11)	0.4935
H15A	0.510349	−0.093967	0.799124	0.167*	0.4935
H15B	0.507887	−0.009277	0.821305	0.167*	0.4935
H15C	0.525600	−0.066762	0.828914	0.167*	0.4935
I406	0.57577 (14)	0.5011 (4)	0.55863 (13)	0.124 (2)	0.510 (3)
Zn43	0.56148 (11)	0.3483 (5)	0.56005 (17)	0.100 (4)	0.510 (3)
I405	0.52975 (9)	0.3254 (7)	0.56738 (17)	0.140 (3)	0.510 (3)
I410	0.72787 (8)	0.0328 (4)	0.7758 (3)	0.177 (4)	0.562 (12)
Zn45	0.71647 (12)	0.1031 (4)	0.7202 (3)	0.133 (3)	0.562 (12)
I409	0.72839 (7)	0.0597 (4)	0.6694 (3)	0.176 (4)	0.562 (12)
I418	0.90827 (11)	1.4952 (3)	1.23231 (9)	0.183 (4)	0.5005
Zn49	0.89332 (12)	1.3446 (6)	1.2331 (2)	0.114 (4)	0.5005
I417	0.86074 (16)	1.3231 (11)	1.2349 (4)	0.174 (5)	0.5005
I411	0.74122 (18)	0.9952 (5)	0.89448 (16)	0.113 (2)	0.5098
Zn46	0.72672 (13)	0.8435 (4)	0.89535 (14)	0.117 (6)	0.5098
I412	0.69508 (13)	0.8176 (9)	0.9011 (3)	0.178 (5)	0.5098
I416	0.89504 (8)	0.5353 (4)	1.1119 (3)	0.182 (4)	0.514 (10)
Zn48	0.88396 (11)	0.6085 (5)	1.0569 (3)	0.130 (3)	0.514 (10)
I415	0.89530 (6)	0.5650 (5)	1.0055 (3)	0.181 (4)	0.514 (10)
I402	0.43886 (11)	−0.9733 (3)	0.43966 (17)	0.145 (2)	0.5327
Zn41	0.41235 (11)	−0.8751 (3)	0.42258 (12)	0.122 (5)	0.5327
I401	0.38143 (9)	−0.9075 (4)	0.39529 (9)	0.165 (4)	0.5327
I308	0.60282 (10)	−0.4733 (2)	0.76782 (12)	0.177 (5)	0.59 (3)
Zn34	0.57845 (9)	−0.3614 (3)	0.74907 (11)	0.120 (5)	0.59 (3)
I307	0.54843 (7)	−0.4042 (4)	0.71993 (9)	0.146 (3)	0.59 (3)
I414	0.77380 (13)	0.0297 (5)	1.1038 (2)	0.159 (4)	0.5815
Zn47	0.74766 (13)	0.1337 (5)	1.0877 (3)	0.131 (6)	0.5815
I413	0.71721 (10)	0.0914 (5)	1.05866 (14)	0.164 (3)	0.5815
I404	0.56165 (11)	−0.4694 (6)	0.4405 (3)	0.188 (5)	0.4127
Zn42	0.54892 (11)	−0.3989 (6)	0.3856 (3)	0.157 (7)	0.4127
I403	0.56177 (9)	−0.4385 (6)	0.3356 (3)	0.234 (6)	0.4127
I506	0.5602 (7)	0.494 (3)	0.5536 (11)	0.080*	0.024 (2)
Zn53	0.5513 (17)	0.330 (8)	0.5609 (7)	0.080*	0.024 (2)
I505	0.5199 (10)	0.311 (4)	0.5608 (14)	0.080*	0.024 (2)
C14A	0.5420 (7)	0.043 (2)	0.6570 (8)	0.124 (13)	0.4935
H14A	0.537370	0.090151	0.641415	0.186*	0.4935
H14B	0.535269	−0.011755	0.651441	0.186*	0.4935
H14C	0.554409	0.032393	0.655902	0.186*	0.4935
I504	0.5642 (3)	−0.4881 (13)	0.4144 (4)	0.080*	0.0604
I503	0.5559 (3)	−0.4165 (13)	0.3100 (4)	0.080*	0.0604
Zn52	0.5536 (6)	−0.390 (3)	0.3667 (9)	0.080*	0.0604
I511	0.7283 (3)	0.9879 (14)	0.8924 (5)	0.080*	0.0549
I512	0.6909 (4)	0.827 (3)	0.9031 (13)	0.080*	0.0549
Zn56	0.7227 (3)	0.8218 (16)	0.8960 (4)	0.080*	0.0549
I502	0.4201 (8)	−0.998 (4)	0.4357 (13)	0.080*	0.0189
I501	0.3751 (8)	−0.861 (4)	0.3818 (14)	0.080*	0.0189
Zn51	0.4049 (5)	−0.851 (4)	0.4183 (18)	0.080*	0.0189
C305	0.4380 (4)	−0.7565 (15)	0.4040 (5)	0.137 (9)
H305	0.445225	−0.796974	0.417991	0.164*
C341	0.5937 (5)	0.255 (2)	0.5903 (7)	0.112 (7)	0.537 (18)
H341	0.598222	0.287014	0.573847	0.134*	0.537 (18)
C354	0.6824 (4)	0.0364 (17)	0.7232 (8)	0.161 (12)
H354	0.689177	0.013657	0.742885	0.193*
C377	0.7592 (5)	0.753 (3)	0.9272 (9)	0.111 (7)	0.49 (2)
H377	0.763713	0.786928	0.911194	0.133*	0.49 (2)
C476	0.7702 (5)	0.738 (2)	0.9652 (9)	0.111 (7)	0.51 (2)
H476	0.781984	0.755316	0.973315	0.133*	0.51 (2)
C477	0.7584 (5)	0.792 (2)	0.9452 (9)	0.111 (7)	0.51 (2)
H477	0.761772	0.851828	0.941837	0.133*	0.51 (2)
C441	0.5917 (5)	0.302 (2)	0.6113 (8)	0.112 (7)	0.463 (18)
H441	0.594805	0.363159	0.609111	0.134*	0.463 (18)
C440	0.6026 (5)	0.2451 (18)	0.6324 (8)	0.112 (7)	0.463 (18)
H440	0.613688	0.265210	0.643947	0.134*	0.463 (18)
I514	0.7892 (6)	0.053 (3)	1.1342 (11)	0.080*	0.0179
I513	0.7378 (7)	0.053 (4)	1.0691 (12)	0.080*	0.0179
Zn57	0.7657 (9)	0.133 (4)	1.094 (2)	0.080*	0.0179
O2C	0.6907 (7)	0.493 (3)	0.6210 (10)	0.102 (11)	0.2195
O2B	0.6418 (6)	0.496 (2)	0.5428 (10)	0.109 (11)	0.2311
O3C	0.7067 (7)	0.437 (3)	0.5185 (12)	0.101 (11)	0.2195
O1B	0.6740 (6)	0.289 (3)	0.6386 (12)	0.113 (15)	0.2311
H1B	0.683082	0.315316	0.635264	0.169*	0.2311
O3B	0.6270 (6)	0.438 (3)	0.6452 (12)	0.102 (11)	0.2311
O1C	0.6585 (6)	0.290 (3)	0.5296 (12)	0.111 (16)	0.2195
H1C	0.655437	0.273560	0.547127	0.166*	0.2195
C4B	0.6348 (7)	0.373 (2)	0.5863 (13)	0.107 (11)	0.2311
C4C	0.6992 (5)	0.372 (2)	0.5815 (11)	0.091 (10)	0.2195
C5C	0.6867 (5)	0.313 (2)	0.5652 (12)	0.090 (11)	0.2195
C5B	0.6464 (6)	0.308 (3)	0.6011 (13)	0.122 (14)	0.2311
C12C	0.7026 (7)	0.495 (3)	0.5411 (11)	0.096 (10)	0.2195
C12B	0.6314 (5)	0.502 (3)	0.6246 (10)	0.105 (10)	0.2311
C1C	0.7018 (6)	0.189 (3)	0.5945 (10)	0.082 (11)	0.2195
H1CA	0.702595	0.127027	0.599190	0.099*	0.2195
C14B	0.6488 (7)	0.551 (3)	0.5204 (12)	0.091 (14)	0.2311
H14G	0.639866	0.560306	0.500786	0.136*	0.2311
H14H	0.659092	0.521353	0.514203	0.136*	0.2311
H14I	0.652375	0.608114	0.530716	0.136*	0.2311
C7B	0.6345 (4)	0.471 (2)	0.5948 (10)	0.108 (10)	0.2311
C1B	0.6293 (8)	0.196 (3)	0.5680 (13)	0.109 (14)	0.2311
H1BA	0.627471	0.134979	0.561761	0.131*	0.2311
C11B	0.6325 (6)	0.593 (3)	0.6314 (11)	0.103 (12)	0.2311
H11B	0.630359	0.614266	0.651772	0.124*	0.2311
C10B	0.6368 (7)	0.651 (2)	0.6082 (12)	0.106 (12)	0.2311
H10B	0.637925	0.712990	0.613244	0.128*	0.2311
C6C	0.6880 (6)	0.222 (3)	0.5715 (12)	0.097 (13)	0.2195
H6C	0.679450	0.182158	0.560046	0.117*	0.2195
C14C	0.6848 (11)	0.553 (5)	0.6439 (13)	0.12 (2)	0.2195
H14D	0.677839	0.601362	0.631901	0.180*	0.2195
H14E	0.695090	0.579175	0.658264	0.180*	0.2195
H14F	0.677647	0.520848	0.657124	0.180*	0.2195
C11C	0.7025 (8)	0.585 (3)	0.5328 (12)	0.104 (12)	0.2195
H11C	0.705775	0.603452	0.512910	0.124*	0.2195
C13C	0.6733 (8)	0.348 (3)	0.5368 (17)	0.091 (14)	0.2195
H13C	0.669298	0.408082	0.542300	0.109*	0.2195
H13D	0.678875	0.354133	0.517178	0.109*	0.2195
C7C	0.6979 (7)	0.468 (3)	0.5702 (12)	0.098 (10)	0.2195
C15B	0.6269 (12)	0.460 (6)	0.6787 (14)	0.12 (2)	0.2311
H15G	0.614750	0.460542	0.682563	0.183*	0.2311
H15H	0.632227	0.518521	0.683576	0.183*	0.2311
H15I	0.633659	0.414961	0.692922	0.183*	0.2311
C9C	0.6928 (9)	0.620 (3)	0.5837 (14)	0.113 (13)	0.2195
H9C	0.689565	0.662510	0.598314	0.136*	0.2195
C9B	0.6395 (8)	0.621 (2)	0.5777 (12)	0.114 (13)	0.2311
H9B	0.641639	0.661922	0.561338	0.137*	0.2311
C6B	0.6436 (7)	0.220 (3)	0.5917 (14)	0.125 (15)	0.2311
H6B	0.651587	0.175116	0.601569	0.150*	0.2311
C15C	0.7067 (12)	0.470 (5)	0.4861 (12)	0.107 (18)	0.2195
H15D	0.710558	0.422607	0.472628	0.160*	0.2195
H15E	0.714728	0.520660	0.487145	0.160*	0.2195
H15F	0.694769	0.488727	0.476273	0.160*	0.2195
C3C	0.7131 (5)	0.339 (3)	0.6045 (10)	0.077 (10)	0.2195
H3C	0.721722	0.378068	0.615812	0.092*	0.2195
C13B	0.6591 (9)	0.345 (4)	0.6301 (18)	0.124 (17)	0.2311
H13E	0.663072	0.405337	0.624569	0.149*	0.2311
H13F	0.653058	0.351346	0.649023	0.149*	0.2311
C2C	0.7144 (6)	0.247 (3)	0.6108 (10)	0.082 (10)	0.2195
H2C	0.723947	0.224934	0.626247	0.098*	0.2195
C10C	0.6974 (8)	0.647 (3)	0.5543 (15)	0.110 (13)	0.2195
H10C	0.697048	0.708410	0.548820	0.132*	0.2195
C3B	0.6206 (6)	0.350 (3)	0.5624 (12)	0.101 (13)	0.2311
H3B	0.612796	0.394446	0.552300	0.121*	0.2311
C2B	0.6178 (7)	0.261 (3)	0.5533 (11)	0.099 (13)	0.2311
H2B	0.607976	0.245133	0.537106	0.119*	0.2311
C8C	0.6930 (8)	0.530 (3)	0.5916 (11)	0.110 (11)	0.2195
C8B	0.6390 (6)	0.530 (2)	0.5718 (10)	0.110 (11)	0.2311

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I318	0.167 (4)	0.077 (3)	0.122 (4)	0.005 (2)	0.051 (3)	−0.011 (2)
I407	0.104 (6)	0.125 (6)	0.161 (7)	−0.030 (3)	0.051 (3)	−0.044 (4)
I311	0.227 (11)	0.077 (3)	0.108 (4)	0.009 (5)	0.048 (4)	−0.023 (2)
I408	0.135 (8)	0.122 (7)	0.142 (6)	0.049 (3)	0.067 (3)	0.044 (4)
I301	0.123 (4)	0.111 (5)	0.152 (5)	−0.040 (3)	0.025 (3)	−0.009 (3)
I306	0.483 (19)	0.051 (2)	0.070 (2)	0.008 (5)	0.024 (5)	−0.0299 (18)
I313	0.127 (4)	0.127 (5)	0.116 (5)	−0.031 (3)	0.051 (3)	−0.023 (3)
I302	0.212 (5)	0.0334 (16)	0.098 (2)	0.004 (2)	0.049 (2)	0.0115 (15)
I314	0.245 (8)	0.066 (4)	0.111 (3)	0.005 (4)	0.063 (4)	0.034 (3)
I312	0.082 (3)	0.201 (8)	0.101 (3)	0.026 (4)	0.018 (3)	−0.035 (4)
I305	0.258 (13)	0.276 (11)	0.059 (3)	0.129 (8)	−0.002 (4)	−0.038 (4)
I317	0.137 (4)	0.144 (4)	0.092 (3)	0.024 (3)	0.013 (3)	−0.016 (3)
I303	0.207 (5)	0.0343 (10)	0.148 (2)	0.0101 (15)	0.067 (3)	−0.0077 (13)
I304	0.197 (5)	0.0647 (18)	0.128 (2)	−0.008 (2)	−0.012 (2)	0.0587 (16)
I316	0.127 (2)	0.0564 (13)	0.114 (2)	−0.0008 (12)	0.0177 (18)	0.0188 (13)
I315	0.209 (4)	0.0612 (17)	0.106 (2)	−0.0012 (17)	0.061 (2)	−0.0093 (13)
I310	0.120 (3)	0.0714 (18)	0.141 (4)	−0.0016 (15)	0.021 (2)	0.0286 (19)
Zn44	0.080 (7)	0.109 (9)	0.096 (8)	0.001 (4)	0.039 (4)	−0.006 (5)
Zn39	0.254 (12)	0.036 (3)	0.033 (3)	0.017 (4)	0.027 (4)	−0.002 (2)
Zn31	0.099 (5)	0.103 (8)	0.108 (7)	−0.006 (5)	0.038 (5)	−0.017 (5)
I309	0.180 (4)	0.078 (2)	0.128 (3)	−0.011 (2)	0.078 (3)	−0.0123 (19)
Zn36	0.095 (6)	0.105 (10)	0.082 (8)	0.019 (6)	0.023 (5)	0.011 (6)
Zn33	0.338 (17)	0.049 (4)	0.016 (2)	0.039 (6)	0.017 (4)	0.002 (2)
Zn37	0.138 (9)	0.087 (9)	0.060 (5)	−0.007 (6)	0.039 (5)	−0.023 (4)
Zn32	0.180 (9)	0.031 (3)	0.092 (3)	−0.001 (3)	0.006 (3)	0.019 (2)
Zn38	0.138 (5)	0.051 (3)	0.087 (3)	−0.004 (3)	0.023 (3)	0.003 (2)
Zn35	0.115 (5)	0.063 (3)	0.108 (5)	−0.010 (3)	0.041 (4)	−0.001 (3)
N310	0.151 (12)	0.039 (5)	0.054 (5)	0.004 (6)	0.029 (6)	0.009 (4)
N325	0.120 (11)	0.091 (9)	0.059 (6)	−0.003 (8)	0.020 (6)	0.002 (6)
N314	0.137 (12)	0.062 (7)	0.058 (5)	−0.006 (7)	0.015 (6)	0.013 (5)
N332	0.163 (14)	0.059 (7)	0.062 (6)	0.005 (7)	0.029 (7)	0.015 (5)
N303	0.164 (13)	0.048 (6)	0.051 (5)	−0.004 (7)	0.025 (6)	0.005 (4)
N311	0.164 (14)	0.043 (6)	0.064 (6)	0.009 (7)	0.035 (7)	−0.001 (4)
N319	0.158 (14)	0.056 (7)	0.070 (6)	0.014 (7)	0.040 (7)	0.003 (5)
N307	0.138 (14)	0.053 (7)	0.109 (10)	−0.003 (7)	0.008 (9)	0.007 (7)
N308	0.155 (13)	0.054 (6)	0.059 (5)	0.004 (7)	0.036 (6)	0.008 (4)
N316	0.152 (15)	0.069 (8)	0.061 (6)	0.007 (9)	0.032 (8)	0.007 (5)
N321	0.125 (12)	0.077 (8)	0.065 (6)	0.012 (7)	0.033 (6)	0.009 (5)
N302	0.136 (13)	0.059 (7)	0.052 (5)	0.006 (7)	0.021 (7)	0.010 (5)
N304	0.147 (14)	0.067 (7)	0.047 (5)	−0.005 (8)	0.012 (7)	−0.001 (5)
N330	0.146 (12)	0.052 (6)	0.062 (6)	0.003 (6)	0.037 (6)	0.009 (4)
N326	0.141 (15)	0.073 (8)	0.063 (6)	0.001 (8)	0.014 (7)	0.012 (5)
N309	0.159 (13)	0.048 (6)	0.046 (5)	0.014 (6)	0.029 (6)	0.002 (4)
N333	0.226 (19)	0.056 (7)	0.053 (6)	0.003 (8)	0.034 (8)	0.016 (5)
N331	0.148 (14)	0.106 (11)	0.051 (5)	0.024 (9)	0.035 (7)	0.012 (6)
N315	0.140 (15)	0.054 (7)	0.089 (8)	0.009 (8)	0.010 (9)	0.011 (6)
N305	0.135 (14)	0.077 (9)	0.062 (6)	0.008 (9)	0.018 (7)	0.010 (6)
N320	0.150 (13)	0.071 (8)	0.053 (5)	0.019 (7)	0.036 (6)	0.003 (5)
N306	0.137 (15)	0.063 (8)	0.126 (12)	0.014 (9)	−0.012 (10)	0.010 (8)
C306	0.116 (14)	0.068 (9)	0.047 (6)	0.010 (9)	0.018 (7)	0.005 (5)
C363	0.124 (14)	0.068 (8)	0.058 (6)	0.002 (8)	0.028 (7)	0.012 (6)
N301	0.148 (15)	0.068 (8)	0.061 (6)	0.007 (9)	0.022 (8)	0.003 (5)
C325	0.147 (15)	0.051 (7)	0.052 (6)	0.008 (8)	0.026 (7)	0.009 (5)
N324	0.125 (14)	0.080 (9)	0.085 (8)	0.005 (9)	−0.001 (8)	0.008 (7)
C307	0.126 (15)	0.056 (7)	0.045 (6)	0.010 (8)	0.015 (7)	−0.001 (5)
C343	0.168 (19)	0.051 (8)	0.052 (6)	0.025 (10)	0.022 (9)	0.013 (5)
N327	0.165 (17)	0.085 (10)	0.070 (7)	0.011 (10)	0.047 (9)	0.007 (7)
C398	0.134 (15)	0.056 (8)	0.062 (7)	−0.002 (8)	0.026 (8)	0.011 (5)
N312	0.166 (16)	0.070 (8)	0.071 (7)	0.013 (9)	0.010 (8)	0.024 (6)
N01O	0.225 (19)	0.071 (8)	0.047 (5)	0.029 (9)	0.034 (7)	0.001 (5)
N01P	0.162 (15)	0.081 (9)	0.060 (6)	0.022 (8)	0.038 (7)	0.009 (5)
N323	0.102 (11)	0.111 (11)	0.075 (7)	0.015 (8)	0.022 (7)	0.021 (7)
N322	0.210 (18)	0.063 (8)	0.064 (6)	0.009 (9)	0.050 (8)	0.008 (5)
N329	0.151 (17)	0.064 (9)	0.136 (13)	0.006 (9)	0.006 (11)	−0.003 (9)
C397	0.135 (15)	0.050 (7)	0.064 (7)	0.007 (8)	0.026 (8)	0.005 (5)
C327	0.145 (15)	0.056 (8)	0.057 (6)	0.015 (8)	0.016 (7)	0.014 (5)
C379	0.118 (15)	0.071 (9)	0.058 (7)	0.009 (9)	0.018 (8)	0.011 (6)
C309	0.17 (2)	0.057 (8)	0.050 (6)	−0.003 (10)	0.020 (9)	0.008 (5)
C334	0.155 (17)	0.068 (9)	0.053 (6)	0.005 (9)	0.029 (8)	0.013 (6)
C324	0.157 (16)	0.046 (7)	0.045 (6)	0.003 (8)	0.019 (7)	−0.002 (5)
C331	0.178 (19)	0.060 (8)	0.061 (7)	0.003 (9)	0.045 (9)	−0.008 (6)
C302	0.125 (15)	0.072 (9)	0.057 (7)	−0.010 (9)	0.012 (8)	−0.005 (6)
C361	0.135 (14)	0.033 (6)	0.079 (8)	−0.008 (7)	0.025 (8)	0.007 (5)
C321	0.147 (15)	0.036 (6)	0.071 (7)	−0.002 (7)	0.025 (8)	0.009 (5)
N334	0.213 (18)	0.067 (8)	0.053 (6)	0.033 (9)	0.037 (8)	0.012 (5)
C399	0.174 (19)	0.059 (8)	0.062 (7)	0.009 (9)	0.027 (9)	0.013 (6)
C319	0.151 (18)	0.051 (8)	0.094 (10)	0.010 (9)	0.015 (10)	−0.005 (7)
C396	0.181 (18)	0.032 (6)	0.068 (7)	0.010 (8)	0.033 (9)	0.007 (5)
C345	0.129 (16)	0.085 (10)	0.049 (6)	0.004 (10)	0.015 (8)	0.012 (6)
C362	0.177 (19)	0.053 (8)	0.060 (7)	0.020 (9)	0.028 (9)	0.014 (6)
C326	0.145 (16)	0.063 (8)	0.054 (6)	0.008 (9)	0.020 (7)	−0.003 (6)
C301	0.135 (15)	0.083 (10)	0.057 (7)	−0.020 (10)	0.028 (8)	0.002 (7)
C347	0.143 (15)	0.067 (9)	0.050 (6)	0.001 (9)	0.020 (7)	−0.004 (6)
N313	0.158 (18)	0.085 (10)	0.110 (11)	−0.018 (11)	−0.025 (11)	0.040 (8)
C360	0.132 (15)	0.053 (8)	0.072 (8)	0.000 (8)	0.028 (8)	0.010 (6)
C371	0.21 (2)	0.047 (8)	0.075 (8)	0.011 (10)	0.057 (11)	0.009 (6)
C303	0.158 (18)	0.068 (9)	0.045 (6)	0.019 (10)	0.025 (8)	0.003 (6)
C346	0.160 (19)	0.053 (8)	0.061 (7)	0.006 (9)	0.006 (9)	0.009 (6)
C378	0.151 (19)	0.070 (10)	0.062 (7)	0.013 (11)	0.016 (9)	0.009 (6)
C375	0.129 (18)	0.092 (12)	0.080 (9)	0.007 (12)	0.011 (10)	0.020 (8)
N318	0.171 (19)	0.039 (7)	0.180 (18)	−0.010 (8)	−0.013 (14)	0.008 (9)
C357	0.127 (14)	0.040 (7)	0.090 (9)	−0.010 (7)	0.015 (9)	0.008 (6)
C406	0.151 (16)	0.043 (7)	0.066 (7)	0.004 (8)	0.033 (8)	0.002 (5)
C367	0.180 (18)	0.044 (7)	0.064 (7)	−0.005 (8)	0.047 (9)	−0.006 (5)
C381	0.128 (15)	0.065 (8)	0.058 (7)	−0.003 (9)	0.025 (8)	0.001 (6)
C393	0.154 (16)	0.047 (7)	0.068 (7)	0.014 (8)	0.025 (8)	0.009 (6)
C342	0.124 (16)	0.061 (9)	0.080 (9)	0.011 (9)	−0.001 (9)	0.016 (7)
C322	0.21 (2)	0.051 (8)	0.069 (8)	−0.012 (10)	0.016 (10)	0.006 (6)
C323	0.18 (2)	0.051 (8)	0.098 (11)	−0.003 (10)	0.012 (11)	0.012 (8)
C370	0.150 (16)	0.060 (8)	0.064 (7)	0.017 (9)	0.032 (8)	0.011 (6)
C335	0.23 (2)	0.042 (7)	0.056 (7)	0.027 (9)	0.046 (9)	0.012 (5)
C320	0.153 (17)	0.055 (8)	0.073 (8)	0.004 (9)	0.030 (9)	−0.002 (6)
C380	0.17 (2)	0.071 (10)	0.072 (9)	−0.016 (11)	0.004 (10)	0.003 (7)
C328	0.22 (2)	0.045 (7)	0.061 (7)	0.003 (9)	0.045 (10)	−0.005 (5)
C308	0.141 (18)	0.082 (10)	0.053 (7)	0.012 (10)	0.016 (8)	−0.006 (7)
C408	0.19 (2)	0.056 (8)	0.066 (8)	0.008 (10)	0.027 (9)	0.016 (6)
C402	0.19 (2)	0.059 (8)	0.071 (8)	0.013 (10)	0.042 (10)	0.012 (6)
C339	0.22 (3)	0.044 (7)	0.067 (8)	−0.006 (11)	−0.020 (12)	0.015 (6)
C382	0.149 (19)	0.103 (13)	0.058 (7)	−0.004 (12)	0.026 (9)	0.007 (7)
C333	0.30 (3)	0.050 (8)	0.056 (7)	−0.001 (11)	0.068 (11)	0.007 (6)
C312	0.15 (2)	0.079 (11)	0.108 (12)	0.004 (12)	0.046 (13)	0.038 (10)
C404	0.28 (3)	0.037 (7)	0.059 (7)	0.014 (10)	0.061 (11)	0.017 (5)
C330	0.20 (2)	0.049 (7)	0.070 (8)	−0.005 (9)	0.055 (10)	−0.013 (6)
C407	0.162 (19)	0.078 (10)	0.070 (8)	0.018 (10)	0.031 (9)	0.012 (7)
O3A	0.130 (17)	0.051 (9)	0.097 (10)	−0.020 (10)	0.007 (10)	0.030 (7)
C405	0.27 (3)	0.067 (9)	0.053 (7)	0.016 (12)	0.056 (11)	0.014 (6)
C383	0.141 (16)	0.083 (10)	0.061 (7)	−0.022 (10)	0.031 (8)	−0.008 (7)
C336	0.20 (2)	0.073 (10)	0.055 (7)	0.002 (11)	0.025 (9)	0.012 (6)
C311	0.16 (2)	0.091 (13)	0.092 (11)	0.007 (12)	0.008 (11)	0.020 (10)
C358	0.22 (2)	0.067 (10)	0.074 (9)	−0.001 (12)	0.031 (11)	0.014 (7)
C403	0.189 (19)	0.054 (8)	0.051 (6)	−0.005 (9)	0.031 (8)	0.000 (5)
N328	0.141 (18)	0.077 (11)	0.167 (17)	0.023 (11)	−0.013 (15)	0.004 (11)
C368	0.26 (3)	0.046 (8)	0.067 (8)	0.011 (10)	0.073 (11)	0.007 (6)
C317	0.14 (2)	0.110 (16)	0.101 (12)	0.001 (14)	0.017 (13)	0.036 (11)
C332	0.30 (3)	0.050 (8)	0.062 (8)	0.028 (12)	0.067 (12)	0.005 (6)
C374	0.120 (18)	0.093 (13)	0.112 (13)	−0.006 (12)	0.020 (12)	0.034 (10)
C394	0.18 (2)	0.078 (11)	0.077 (9)	−0.002 (11)	0.025 (10)	0.017 (8)
C391	0.16 (2)	0.084 (13)	0.113 (13)	0.012 (13)	0.002 (13)	−0.008 (10)
C369	0.26 (3)	0.063 (9)	0.061 (7)	0.009 (12)	0.063 (11)	0.014 (6)
C356	0.22 (3)	0.048 (8)	0.087 (10)	0.007 (11)	0.017 (12)	0.003 (7)
C329	0.24 (2)	0.059 (8)	0.046 (6)	0.003 (11)	0.034 (9)	0.003 (5)
C338	0.139 (19)	0.111 (15)	0.101 (12)	0.004 (14)	0.018 (13)	0.059 (11)
C348	0.19 (3)	0.067 (11)	0.118 (14)	0.009 (13)	0.048 (15)	0.057 (10)
C372	0.18 (2)	0.069 (9)	0.069 (8)	0.021 (10)	0.031 (10)	0.013 (7)
C373	0.136 (18)	0.077 (11)	0.117 (13)	−0.003 (11)	0.018 (12)	0.035 (10)
C349	0.128 (17)	0.074 (11)	0.128 (14)	−0.001 (10)	0.026 (12)	0.045 (10)
C316	0.142 (18)	0.067 (9)	0.079 (9)	0.010 (10)	0.031 (10)	0.006 (7)
C359	0.16 (2)	0.073 (12)	0.120 (14)	0.008 (12)	0.017 (14)	0.021 (10)
C337	0.17 (2)	0.086 (13)	0.126 (15)	0.034 (13)	0.027 (14)	0.042 (11)
C392	0.19 (2)	0.059 (9)	0.082 (9)	0.021 (11)	0.017 (11)	−0.003 (7)
O1A	0.120 (14)	0.084 (13)	0.077 (11)	0.021 (11)	0.033 (10)	0.040 (10)
C395	0.17 (2)	0.053 (9)	0.118 (13)	−0.014 (10)	0.033 (13)	0.011 (9)
C344	0.17 (2)	0.060 (9)	0.089 (10)	−0.023 (11)	−0.018 (11)	0.014 (8)
C366	0.20 (2)	0.083 (11)	0.076 (9)	0.011 (12)	0.062 (11)	0.009 (8)
C313	0.132 (18)	0.105 (14)	0.119 (13)	0.007 (12)	0.034 (12)	0.044 (11)
C304	0.128 (18)	0.110 (16)	0.133 (16)	0.019 (13)	0.027 (13)	0.037 (13)
C364	0.26 (3)	0.075 (11)	0.078 (10)	0.002 (14)	0.062 (13)	0.001 (8)
C315	0.105 (16)	0.091 (13)	0.124 (14)	0.009 (11)	0.009 (12)	0.025 (10)
C385	0.120 (18)	0.119 (17)	0.20 (2)	0.035 (14)	0.055 (16)	0.075 (17)
C318	0.21 (3)	0.099 (15)	0.102 (13)	−0.051 (17)	0.010 (16)	0.026 (11)
O2A	0.115 (16)	0.070 (10)	0.104 (11)	0.013 (10)	0.038 (11)	−0.001 (8)
C352	0.14 (2)	0.067 (11)	0.131 (15)	0.002 (11)	−0.002 (14)	0.001 (10)
C310	0.130 (18)	0.091 (13)	0.099 (12)	−0.015 (12)	−0.006 (12)	0.030 (9)
C400	0.33 (3)	0.055 (9)	0.061 (8)	0.031 (13)	0.064 (13)	0.007 (6)
C390	0.098 (18)	0.14 (2)	0.17 (2)	0.009 (16)	−0.023 (16)	0.011 (18)
C355	0.22 (3)	0.079 (13)	0.124 (15)	0.004 (15)	0.007 (16)	0.021 (11)
C365	0.31 (4)	0.075 (12)	0.062 (8)	−0.003 (15)	0.054 (13)	0.004 (7)
C388	0.13 (2)	0.106 (15)	0.115 (14)	−0.006 (14)	0.021 (13)	0.008 (11)
C401	0.30 (3)	0.064 (10)	0.058 (8)	−0.024 (13)	0.059 (12)	0.001 (6)
C384	0.17 (2)	0.082 (13)	0.130 (15)	0.021 (14)	0.041 (15)	0.051 (11)
C314	0.17 (3)	0.092 (15)	0.121 (15)	0.014 (15)	0.014 (16)	0.001 (12)
C389	0.15 (2)	0.110 (17)	0.142 (18)	0.021 (16)	−0.010 (16)	0.040 (14)
N317	0.122 (16)	0.084 (12)	0.21 (2)	0.000 (11)	−0.012 (15)	0.020 (13)
C353	0.15 (2)	0.118 (19)	0.16 (2)	0.001 (17)	−0.043 (19)	0.043 (15)
C4A	0.102 (13)	0.053 (8)	0.070 (10)	0.002 (8)	0.032 (8)	0.015 (7)
C5A	0.116 (14)	0.051 (8)	0.075 (11)	0.008 (8)	0.030 (9)	0.017 (8)
C6A	0.119 (17)	0.053 (8)	0.080 (12)	0.007 (10)	0.055 (10)	0.012 (9)
C1A	0.137 (18)	0.055 (11)	0.077 (12)	−0.009 (10)	0.055 (10)	0.008 (9)
C2A	0.117 (16)	0.070 (10)	0.062 (11)	−0.014 (10)	0.047 (10)	−0.001 (8)
C3A	0.101 (14)	0.061 (9)	0.052 (9)	0.001 (9)	0.040 (8)	0.013 (7)
C387	0.12 (2)	0.14 (2)	0.18 (2)	0.001 (17)	0.010 (18)	0.038 (18)
C386	0.10 (2)	0.13 (2)	0.23 (3)	−0.026 (16)	−0.02 (2)	−0.01 (2)
C351	0.12 (2)	0.16 (3)	0.25 (3)	−0.036 (19)	−0.02 (2)	0.10 (2)
C7A	0.102 (16)	0.051 (8)	0.093 (10)	0.004 (9)	0.017 (10)	0.011 (7)
C12A	0.089 (16)	0.063 (9)	0.104 (11)	−0.007 (11)	0.002 (11)	0.027 (8)
C11A	0.093 (19)	0.065 (10)	0.121 (15)	−0.010 (12)	0.002 (14)	0.020 (10)
C10A	0.10 (2)	0.075 (12)	0.122 (15)	−0.006 (14)	−0.007 (14)	0.008 (10)
C9A	0.11 (2)	0.063 (10)	0.115 (15)	0.011 (13)	0.012 (14)	−0.003 (9)
C8A	0.089 (16)	0.063 (9)	0.098 (11)	0.008 (11)	0.013 (11)	−0.002 (8)
C350	0.15 (3)	0.110 (19)	0.26 (4)	−0.042 (18)	−0.01 (2)	0.06 (2)
C376	0.133 (16)	0.108 (18)	0.096 (15)	0.013 (13)	0.031 (14)	0.038 (11)
C340	0.18 (2)	0.086 (12)	0.068 (9)	−0.012 (12)	0.020 (11)	0.019 (7)
C13A	0.116 (16)	0.063 (13)	0.104 (16)	0.008 (10)	0.013 (11)	0.023 (11)
C15A	0.16 (3)	0.071 (19)	0.104 (18)	−0.021 (19)	0.018 (17)	0.044 (15)
I406	0.273 (6)	0.050 (2)	0.0524 (18)	0.019 (3)	0.039 (2)	0.0057 (17)
Zn43	0.117 (5)	0.099 (7)	0.082 (6)	0.035 (5)	0.011 (4)	0.001 (4)
I405	0.118 (5)	0.171 (6)	0.128 (5)	0.044 (4)	0.012 (3)	−0.025 (4)
I410	0.149 (4)	0.103 (3)	0.251 (8)	−0.025 (2)	−0.043 (4)	0.090 (4)
Zn45	0.121 (6)	0.061 (3)	0.206 (9)	0.001 (3)	0.001 (6)	0.017 (4)
I409	0.170 (4)	0.087 (3)	0.266 (9)	0.021 (2)	0.024 (4)	−0.051 (4)
I418	0.460 (11)	0.042 (2)	0.0500 (16)	0.017 (3)	0.058 (3)	−0.0061 (13)
Zn49	0.129 (7)	0.120 (8)	0.094 (6)	0.044 (5)	0.021 (5)	0.026 (5)
I417	0.188 (7)	0.206 (10)	0.115 (6)	0.070 (6)	−0.010 (4)	−0.001 (5)
I411	0.208 (6)	0.070 (2)	0.0677 (18)	0.027 (3)	0.044 (2)	−0.0015 (14)
Zn46	0.256 (15)	0.058 (5)	0.041 (4)	0.038 (5)	0.033 (5)	0.003 (3)
I412	0.236 (9)	0.183 (8)	0.109 (4)	0.092 (6)	0.013 (4)	−0.010 (4)
I416	0.147 (4)	0.104 (3)	0.263 (9)	−0.028 (3)	−0.049 (5)	0.088 (4)
Zn48	0.119 (5)	0.061 (3)	0.195 (9)	0.004 (3)	−0.012 (6)	0.005 (5)
I415	0.153 (4)	0.107 (4)	0.277 (9)	0.025 (3)	0.026 (4)	−0.071 (5)
I402	0.234 (6)	0.066 (3)	0.156 (4)	0.013 (3)	0.087 (4)	0.020 (2)
Zn41	0.304 (13)	0.032 (3)	0.038 (2)	0.003 (4)	0.058 (4)	0.0031 (19)
I401	0.335 (9)	0.103 (4)	0.0635 (18)	−0.061 (4)	0.052 (3)	−0.032 (2)
I308	0.406 (15)	0.038 (2)	0.108 (3)	0.044 (2)	0.103 (4)	0.0282 (14)
Zn34	0.299 (15)	0.030 (3)	0.044 (3)	−0.009 (3)	0.070 (4)	−0.0014 (17)
I307	0.284 (10)	0.091 (3)	0.077 (2)	−0.043 (3)	0.071 (3)	−0.0517 (18)
I414	0.266 (8)	0.062 (3)	0.182 (5)	0.024 (4)	0.126 (5)	0.033 (2)
Zn47	0.284 (15)	0.053 (4)	0.076 (5)	−0.008 (5)	0.090 (6)	0.007 (3)
I413	0.320 (9)	0.107 (3)	0.0774 (19)	−0.062 (4)	0.068 (3)	−0.0322 (19)
I404	0.102 (4)	0.115 (5)	0.316 (12)	−0.019 (3)	−0.044 (6)	0.054 (6)
Zn42	0.067 (6)	0.080 (8)	0.318 (19)	0.006 (5)	0.015 (7)	−0.015 (9)
I403	0.090 (4)	0.139 (6)	0.455 (16)	0.020 (4)	0.002 (6)	−0.121 (8)
C14A	0.20 (4)	0.07 (2)	0.118 (15)	0.02 (2)	0.07 (2)	−0.009 (14)
C305	0.19 (3)	0.099 (15)	0.119 (15)	0.020 (16)	0.017 (16)	0.063 (12)
C341	0.18 (2)	0.086 (12)	0.068 (9)	−0.012 (12)	0.020 (11)	0.019 (7)
C354	0.16 (3)	0.089 (16)	0.20 (3)	0.011 (16)	−0.04 (2)	0.026 (17)
C377	0.133 (16)	0.108 (18)	0.096 (15)	0.013 (13)	0.031 (14)	0.038 (11)
C476	0.133 (16)	0.108 (18)	0.096 (15)	0.013 (13)	0.031 (14)	0.038 (11)
C477	0.133 (16)	0.108 (18)	0.096 (15)	0.013 (13)	0.031 (14)	0.038 (11)
C441	0.18 (2)	0.086 (12)	0.068 (9)	−0.012 (12)	0.020 (11)	0.019 (7)
C440	0.18 (2)	0.086 (12)	0.068 (9)	−0.012 (12)	0.020 (11)	0.019 (7)
O2C	0.09 (3)	0.07 (2)	0.13 (2)	0.00 (2)	−0.01 (2)	−0.041 (16)
O2B	0.07 (2)	0.07 (2)	0.17 (3)	−0.006 (19)	0.01 (2)	0.023 (17)
O3C	0.07 (3)	0.07 (2)	0.16 (2)	0.00 (2)	0.02 (2)	−0.010 (18)
O1B	0.12 (3)	0.10 (3)	0.12 (3)	0.00 (2)	0.02 (2)	0.07 (3)
O3B	0.06 (2)	0.067 (19)	0.18 (3)	−0.004 (18)	0.03 (2)	−0.008 (18)
O1C	0.11 (3)	0.10 (3)	0.11 (3)	−0.03 (2)	−0.01 (2)	−0.06 (2)
C4B	0.10 (2)	0.077 (15)	0.14 (2)	−0.019 (15)	0.002 (18)	0.008 (15)
C4C	0.07 (2)	0.084 (15)	0.12 (2)	0.001 (14)	0.013 (16)	−0.014 (14)
C5C	0.07 (2)	0.070 (16)	0.13 (2)	0.007 (15)	0.009 (17)	−0.005 (17)
C5B	0.13 (3)	0.083 (18)	0.14 (3)	−0.004 (18)	−0.01 (2)	0.002 (18)
C12C	0.07 (2)	0.068 (16)	0.15 (2)	−0.010 (18)	0.009 (19)	−0.013 (15)
C12B	0.06 (2)	0.073 (16)	0.18 (2)	−0.003 (18)	0.016 (19)	0.003 (15)
C1C	0.10 (3)	0.08 (2)	0.08 (2)	0.012 (17)	0.037 (18)	−0.003 (17)
C14B	0.04 (3)	0.05 (3)	0.18 (3)	−0.02 (2)	0.00 (3)	0.01 (2)
C7B	0.08 (2)	0.074 (15)	0.17 (2)	−0.015 (16)	0.008 (18)	0.006 (14)
C1B	0.14 (3)	0.09 (2)	0.11 (3)	−0.02 (2)	0.03 (2)	0.00 (2)
C11B	0.05 (3)	0.068 (17)	0.18 (3)	0.008 (19)	0.00 (2)	0.011 (17)
C10B	0.05 (3)	0.073 (19)	0.19 (3)	0.02 (2)	0.01 (2)	0.021 (18)
C6C	0.11 (3)	0.070 (16)	0.11 (3)	0.012 (17)	0.02 (2)	−0.007 (18)
C14C	0.09 (5)	0.11 (4)	0.14 (3)	0.04 (4)	−0.02 (3)	−0.04 (3)
C11C	0.08 (3)	0.065 (17)	0.16 (3)	−0.01 (2)	0.01 (2)	−0.019 (17)
C13C	0.08 (3)	0.06 (2)	0.13 (3)	0.002 (18)	0.00 (2)	−0.01 (2)
C7C	0.06 (2)	0.083 (15)	0.14 (2)	−0.003 (15)	0.001 (18)	−0.015 (14)
C15B	0.10 (5)	0.08 (4)	0.19 (3)	0.03 (4)	0.04 (3)	−0.01 (3)
C9C	0.08 (3)	0.091 (17)	0.16 (3)	0.01 (2)	0.00 (2)	−0.02 (2)
C9B	0.07 (3)	0.075 (17)	0.19 (3)	0.00 (2)	0.02 (3)	0.015 (19)
C6B	0.14 (3)	0.084 (18)	0.14 (3)	−0.01 (2)	0.00 (2)	0.00 (2)
C15C	0.10 (5)	0.06 (3)	0.15 (3)	−0.01 (3)	0.02 (3)	−0.02 (2)
C3C	0.06 (2)	0.087 (19)	0.09 (2)	0.001 (17)	0.031 (15)	−0.012 (17)
C13B	0.13 (3)	0.08 (3)	0.14 (3)	0.01 (2)	−0.01 (2)	0.00 (2)
C2C	0.09 (3)	0.09 (2)	0.08 (2)	0.004 (17)	0.046 (17)	0.000 (17)
C10C	0.08 (3)	0.077 (19)	0.16 (3)	0.00 (2)	0.00 (3)	−0.025 (18)
C3B	0.10 (3)	0.09 (2)	0.11 (3)	−0.030 (19)	0.016 (19)	0.016 (19)
C2B	0.11 (3)	0.09 (2)	0.10 (3)	−0.03 (2)	0.03 (2)	0.009 (18)
C8C	0.09 (3)	0.089 (17)	0.14 (2)	0.00 (2)	0.00 (2)	−0.025 (16)
C8B	0.07 (2)	0.077 (17)	0.18 (2)	−0.009 (19)	0.01 (2)	0.015 (16)

Geometric parameters (Å, º)

I318—Zn39	2.547 (7)	C311—C310	1.34 (3)
I407—Zn44	2.514 (8)	C358—H358	0.9500
I311—Zn36	2.528 (10)	C358—C359	1.43 (3)
I408—Zn44	2.543 (8)	C403—H403	0.9500
I301—Zn31	2.535 (8)	N328—C390	1.44 (3)
I306—Zn33	2.533 (10)	N328—C386	1.17 (3)
I313—Zn37	2.520 (10)	N328—Zn48	2.00 (2)
I302—Zn31	2.551 (9)	C368—H368	0.9500
I314—Zn37	2.522 (11)	C368—C369	1.38 (2)
I312—Zn36	2.528 (8)	C317—H317	0.9500
I305—Zn33	2.496 (11)	C317—C316	1.34 (3)
I317—Zn39	2.514 (9)	C317—C318	1.45 (3)
I303—Zn32	2.527 (7)	C332—H332	0.9500
I304—Zn32	2.536 (5)	C374—H374	0.9500
I316—Zn38	2.548 (7)	C374—C373	1.33 (3)
I315—Zn38	2.532 (6)	C394—H394	0.9500
I310—Zn35	2.526 (9)	C394—C395	1.38 (2)
Zn44—N311^i	2.064 (14)	C391—H391	0.9500
Zn44—N316	2.092 (16)	C391—C392	1.36 (2)
Zn39—N305^ii	2.048 (15)	C369—H369	0.9500
Zn39—N334	2.083 (12)	C356—H356	0.9500
Zn31—N333^iii	2.109 (14)	C356—C355	1.38 (3)
Zn31—N301	2.043 (16)	C329—H329	0.9500
I309—Zn35	2.530 (7)	C338—H338	0.9500
Zn36—N01P	2.059 (14)	C338—C337	1.36 (3)
Zn36—N323	2.027 (16)	C348—H348	0.9500
Zn33—N312	2.052 (15)	C348—C349	1.42 (2)
Zn33—N01O	2.051 (12)	C372—H372	0.9500
Zn37—N327	2.043 (18)	C373—H373	0.9500
Zn37—N322^iv	2.135 (18)	C349—H349	0.9500
Zn32—N307	2.083 (14)	C316—C315	1.38 (3)
Zn32—N306	2.02 (2)	C359—H359	0.9500
Zn38—N329	2.096 (17)	C337—H337	0.9500
Zn38—N328	2.04 (2)	C392—H392	0.9500
Zn35—N318	2.146 (16)	O1A—H1A	0.8400
Zn35—N317	2.17 (2)	O1A—C13A	1.41 (3)
N310—C325	1.284 (16)	C395—H395	0.9500
N310—C326	1.331 (17)	C344—C352	1.46 (3)
N325—C379	1.35 (2)	C366—H366	0.9500
N325—C378	1.34 (2)	C313—H313	0.9500
N314—C343	1.35 (2)	C304—H304	0.9500
N314—C342	1.31 (2)	C304—C305	1.43 (3)
N332—C398	1.312 (17)	C364—H364	0.9500
N332—C397	1.287 (17)	C364—C365	1.36 (2)
N303—C306	1.36 (2)	C315—H315	0.9500
N303—C307	1.345 (19)	C315—C314	1.38 (3)
N311—C330	1.341 (16)	C385—H385	0.9500
N311—C329	1.313 (19)	C385—C384	1.45 (3)
N319—C362	1.317 (19)	C318—H318	0.9500
N319—C360	1.345 (18)	O2A—C8A	1.342 (16)
N307—C319	1.31 (2)	O2A—C14A	1.41 (3)
N307—C323	1.25 (2)	C352—C353	1.39 (3)
N307—Zn42	2.085 (16)	C352—C351	1.38 (3)
N307—Zn52	2.21 (5)	C310—H310	0.9500
N308—C324	1.342 (15)	C400—H400	0.9500
N308—C326	1.361 (18)	C400—C401	1.35 (2)
N316—C347	1.32 (2)	C390—H390	0.9500
N316—C348	1.29 (3)	C390—C389	1.33 (3)
N316—Zn34	2.053 (15)	C355—H355	0.9500
N321—C361	1.303 (17)	C365—H365	0.9500
N321—C362	1.333 (18)	C388—C389	1.42 (3)
N302—C306	1.33 (2)	C388—C387	1.38 (3)
N302—C308	1.32 (2)	C401—H401	0.9500
N304—C307	1.34 (2)	C384—H384	0.9500
N304—C308	1.32 (2)	C314—H314	0.9500
N330—C398	1.347 (18)	C389—H389	0.9500
N330—C396	1.358 (17)	N317—C350	1.21 (3)
N326—C379	1.33 (2)	N317—Zn45	2.01 (2)
N326—C380	1.33 (2)	N317—C354	1.41 (4)
N309—C325	1.339 (17)	C353—H353	0.9500
N309—C324	1.349 (16)	C353—C354	1.36 (4)
N333—C402	1.316 (19)	C4A—C5A	1.392 (16)
N333—C401	1.34 (2)	C4A—C3A	1.389 (16)
N333—Zn51^v	2.01 (9)	C4A—C7A	1.51 (2)
N331—C397	1.36 (2)	C5A—C6A	1.380 (16)
N331—C396	1.322 (17)	C5A—C13A	1.518 (18)
N315—C343	1.33 (2)	C6A—H6A	0.9500
N315—C344	1.39 (2)	C6A—C1A	1.390 (16)
N305—C312	1.29 (3)	C1A—H1AA	0.9500
N305—C311	1.32 (2)	C1A—C2A	1.384 (16)
N305—Zn49^vi	2.037 (16)	C2A—H2A	0.9500
N320—C361	1.322 (17)	C2A—C3A	1.382 (16)
N320—C360	1.343 (17)	C3A—H3A	0.9500
N306—C318	1.22 (3)	C387—H387	0.9500
N306—C314	1.38 (3)	C387—C386	1.40 (4)
N306—Zn42	2.04 (2)	C386—H386	0.9500
C306—C303	1.45 (2)	C351—H351	0.9500
C363—C361	1.511 (18)	C351—C350	1.44 (4)
C363—C367	1.37 (2)	C7A—C12A	1.3900
C363—C364	1.37 (2)	C7A—C8A	1.3900
N301—C301	1.30 (2)	C12A—C11A	1.3900
N301—Zn41	2.068 (14)	C11A—H11A	0.9500
N301—Zn51	2.05 (2)	C11A—C10A	1.3900
N301—C305	1.31 (3)	C10A—H10A	0.9500
C325—C327	1.495 (18)	C10A—C9A	1.3900
N324—C378	1.35 (3)	C9A—H9A	0.9500
N324—C380	1.34 (2)	C9A—C8A	1.3900
C307—C309	1.49 (2)	C350—H350	0.9500
C343—C345	1.44 (2)	C376—H376	0.9500
N327—C383	1.32 (2)	C376—C377	1.39 (4)
N327—C384	1.38 (3)	C340—H340	0.9500
N327—Zn47	2.071 (16)	C340—C341	1.40 (4)
N327—Zn57	2.06 (2)	C13A—H13A	0.9900
C398—C406	1.489 (18)	C13A—H13B	0.9900
N312—C337	1.23 (2)	C15A—H15A	0.9800
N312—Zn43	2.025 (14)	C15A—H15B	0.9800
N312—Zn53	2.33 (11)	C15A—H15C	0.9800
N312—C341	1.41 (3)	I406—Zn43	2.551 (9)
N312—C441	1.40 (4)	Zn43—I405	2.547 (9)
N01O—C336	1.34 (2)	I410—Zn45	2.546 (9)
N01O—C332	1.32 (2)	Zn45—I409	2.535 (10)
N01O—Zn43	2.106 (13)	I418—Zn49	2.540 (10)
N01O—Zn53	2.32 (11)	Zn49—I417	2.552 (11)
N01P—C368	1.34 (2)	I411—Zn46	2.540 (8)
N01P—C372	1.35 (2)	Zn46—I412	2.528 (10)
N01P—Zn46	2.057 (13)	I416—Zn48	2.541 (9)
N01P—Zn56	2.05 (2)	Zn48—I415	2.530 (11)
N323—C373	1.32 (2)	I402—Zn41	2.519 (8)
N323—Zn46	2.059 (15)	Zn41—I401	2.501 (9)
N323—Zn56	2.05 (2)	I308—Zn34	2.538 (7)
N323—C377	1.36 (3)	Zn34—I307	2.500 (7)
N323—C477	1.37 (3)	I414—Zn47	2.544 (9)
N322—C366	1.35 (2)	Zn47—I413	2.524 (10)
N322—C365	1.33 (2)	I404—Zn42	2.546 (12)
N322—Zn47^vii	2.035 (16)	Zn42—I403	2.527 (13)
N329—C391	1.35 (3)	I506—Zn53	2.58 (13)
N329—C395	1.27 (2)	Zn53—I505	2.45 (14)
N329—Zn48	2.123 (16)	C14A—H14A	0.9800
C397—C399	1.483 (19)	C14A—H14B	0.9800
C327—C331	1.37 (2)	C14A—H14C	0.9800
C327—C328	1.365 (18)	I504—Zn52	2.48 (5)
C379—C381	1.47 (2)	I503—Zn52	2.43 (4)
C309—C313	1.42 (2)	I511—Zn56	2.539 (18)
C309—C310	1.32 (3)	I512—Zn56	2.527 (17)
C334—C326	1.491 (18)	I502—Zn51	2.533 (18)
C334—C335	1.35 (2)	I501—Zn51	2.519 (18)
C334—C333	1.449 (19)	C305—H305	0.9500
C324—C321	1.488 (17)	C341—H341	0.9500
C331—H331	0.9500	C354—H354	0.9500
C331—C330	1.37 (2)	C377—H377	0.9500
C302—H302	0.9500	C476—H476	0.9500
C302—C301	1.32 (2)	C476—C477	1.38 (4)
C302—C303	1.39 (3)	C477—H477	0.9500
C321—C322	1.334 (19)	C441—H441	0.9500
C321—C320	1.351 (19)	C441—C440	1.40 (4)
N334—C408	1.37 (2)	C440—H440	0.9500
N334—C404	1.32 (2)	I514—Zn57	2.536 (18)
N334—Zn49	2.048 (14)	I513—Zn57	2.524 (19)
C399—C403	1.37 (2)	O2C—C14C	1.44 (4)
C399—C400	1.38 (2)	O2C—C8C	1.37 (2)
C319—H319	0.9500	O2B—C14B	1.422 (19)
C319—C320	1.39 (2)	O2B—C8B	1.360 (19)
C396—C393	1.512 (18)	O3C—C12C	1.364 (19)
C345—C346	1.39 (3)	O3C—C15C	1.43 (4)
C345—C349	1.36 (2)	O1B—H1B	0.8400
C362—C370	1.500 (19)	O1B—C13B	1.42 (2)
C301—H301	0.9500	O3B—C12B	1.37 (2)
C347—H347	0.9500	O3B—C15B	1.43 (2)
C347—C346	1.33 (2)	O1C—H1C	0.8400
N313—C342	1.34 (3)	O1C—C13C	1.43 (4)
N313—C344	1.30 (2)	C4B—C5B	1.389 (19)
C360—C357	1.451 (18)	C4B—C7B	1.505 (19)
C371—H371	0.9500	C4B—C3B	1.385 (19)
C371—C370	1.35 (2)	C4C—C5C	1.39 (2)
C371—C372	1.37 (2)	C4C—C7C	1.51 (5)
C303—C304	1.37 (2)	C4C—C3C	1.393 (19)
C346—H346	0.9500	C5C—C6C	1.40 (2)
C378—C375	1.49 (2)	C5C—C13C	1.52 (5)
C375—C374	1.31 (3)	C5B—C6B	1.391 (19)
C375—C376	1.46 (3)	C5B—C13B	1.52 (2)
C375—C476	1.46 (3)	C12C—C11C	1.388 (19)
N318—C359	1.28 (3)	C12C—C7C	1.385 (19)
N318—C355	1.30 (3)	C12B—C7B	1.385 (19)
N318—Zn45	2.123 (14)	C12B—C11B	1.387 (19)
C357—C358	1.35 (2)	C1C—H1CA	0.9500
C357—C356	1.37 (2)	C1C—C6C	1.387 (19)
C406—C407	1.36 (2)	C1C—C2C	1.39 (2)
C406—C405	1.428 (19)	C14B—H14G	0.9800
C367—H367	0.9500	C14B—H14H	0.9800
C367—C366	1.38 (2)	C14B—H14I	0.9800
C381—C382	1.35 (3)	C7B—C8B	1.395 (19)
C381—C385	1.37 (3)	C1B—H1BA	0.9500
C393—C394	1.33 (2)	C1B—C6B	1.388 (19)
C393—C392	1.35 (2)	C1B—C2B	1.390 (19)
C342—C339	1.54 (2)	C11B—H11B	0.9500
C322—H322	0.9500	C11B—C10B	1.386 (19)
C322—C323	1.36 (2)	C10B—H10B	0.9500
C323—H323	0.9500	C10B—C9B	1.398 (19)
C370—C369	1.41 (2)	C6C—H6C	0.9500
C335—H335	0.9500	C14C—H14D	0.9800
C335—C336	1.38 (2)	C14C—H14E	0.9800
C320—H320	0.9500	C14C—H14F	0.9800
C380—C388	1.48 (3)	C11C—H11C	0.9500
C328—H328	0.9500	C11C—C10C	1.394 (19)
C328—C329	1.37 (2)	C13C—H13C	0.9900
C308—C316	1.49 (3)	C13C—H13D	0.9900
C408—H408	0.9500	C7C—C8C	1.385 (19)
C408—C407	1.35 (2)	C15B—H15G	0.9800
C402—H402	0.9500	C15B—H15H	0.9800
C402—C403	1.372 (19)	C15B—H15I	0.9800
C339—C338	1.33 (3)	C9C—H9C	0.9500
C339—C340	1.40 (3)	C9C—C10C	1.391 (19)
C339—C440	1.39 (3)	C9C—C8C	1.389 (19)
C382—H382	0.9500	C9B—H9B	0.9500
C382—C383	1.38 (2)	C9B—C8B	1.387 (19)
C333—H333	0.9500	C6B—H6B	0.9500
C333—C332	1.37 (2)	C15C—H15D	0.9800
C312—H312	0.9500	C15C—H15E	0.9800
C312—C313	1.37 (3)	C15C—H15F	0.9800
C404—H404	0.9500	C3C—H3C	0.9500
C404—C405	1.38 (2)	C3C—C2C	1.39 (2)
C330—H330	0.9500	C13B—H13E	0.9900
C407—H407	0.9500	C13B—H13F	0.9900
O3A—C12A	1.354 (16)	C2C—H2C	0.9500
O3A—C15A	1.435 (18)	C10C—H10C	0.9500
C405—H405	0.9500	C3B—H3B	0.9500
C383—H383	0.9500	C3B—C2B	1.390 (19)
C336—H336	0.9500	C2B—H2B	0.9500
C311—H311	0.9500
I407—Zn44—I408	127.9 (5)	N316—C348—C349	122.6 (19)
N311^i—Zn44—I407	102.6 (6)	C349—C348—H348	118.7
N311^i—Zn44—I408	109.0 (6)	N01P—C372—C371	122.0 (16)
N311^i—Zn44—N316	98.9 (6)	N01P—C372—H372	119.0
N316—Zn44—I407	107.6 (6)	C371—C372—H372	119.0
N316—Zn44—I408	107.1 (6)	N323—C373—C374	125 (2)
I317—Zn39—I318	125.1 (4)	N323—C373—H373	117.4
N305^ii—Zn39—I318	108.7 (6)	C374—C373—H373	117.4
N305^ii—Zn39—I317	103.8 (7)	C345—C349—C348	120 (2)
N305^ii—Zn39—N334	102.4 (6)	C345—C349—H349	119.8
N334—Zn39—I318	108.0 (5)	C348—C349—H349	119.8
N334—Zn39—I317	106.7 (7)	C317—C316—C308	122.2 (18)
I301—Zn31—I302	121.6 (4)	C317—C316—C315	119 (2)
N333^iii—Zn31—I301	103.7 (6)	C315—C316—C308	119.0 (17)
N333^iii—Zn31—I302	111.5 (6)	N318—C359—C358	118.7 (17)
N301—Zn31—I301	109.1 (6)	N318—C359—H359	120.6
N301—Zn31—I302	109.5 (6)	C358—C359—H359	120.6
N301—Zn31—N333^iii	99.2 (6)	N312—C337—C338	125 (3)
I312—Zn36—I311	128.7 (6)	N312—C337—H337	117.5
N01P—Zn36—I311	106.1 (6)	C338—C337—H337	117.5
N01P—Zn36—I312	105.6 (6)	C393—C392—C391	119.1 (16)
N323—Zn36—I311	105.7 (7)	C393—C392—H392	120.5
N323—Zn36—I312	105.2 (6)	C391—C392—H392	120.5
N323—Zn36—N01P	103.0 (7)	C13A—O1A—H1A	109.5
I305—Zn33—I306	128.4 (5)	N329—C395—C394	122.5 (17)
N312—Zn33—I306	104.7 (6)	N329—C395—H395	118.7
N312—Zn33—I305	106.9 (6)	C394—C395—H395	118.7
N01O—Zn33—I306	105.1 (6)	N315—C344—C352	115.5 (17)
N01O—Zn33—I305	106.2 (7)	N313—C344—N315	125 (2)
N01O—Zn33—N312	102.9 (7)	N313—C344—C352	119.9 (18)
I313—Zn37—I314	124.6 (7)	N322—C366—C367	120.7 (17)
N327—Zn37—I313	109.0 (8)	N322—C366—H366	119.6
N327—Zn37—I314	110.2 (7)	C367—C366—H366	119.6
N327—Zn37—N322^iv	98.1 (7)	C309—C313—H313	121.0
N322^iv—Zn37—I313	103.6 (7)	C312—C313—C309	118 (2)
N322^iv—Zn37—I314	107.9 (7)	C312—C313—H313	121.0
I303—Zn32—I304	123.3 (3)	C303—C304—H304	120.5
N307—Zn32—I303	106.6 (5)	C303—C304—C305	119 (2)
N307—Zn32—I304	109.5 (5)	C305—C304—H304	120.5
N306—Zn32—I303	104.6 (6)	C363—C364—H364	120.3
N306—Zn32—I304	108.7 (6)	C365—C364—C363	119.5 (18)
N306—Zn32—N307	102.1 (7)	C365—C364—H364	120.3
I315—Zn38—I316	121.7 (3)	C316—C315—H315	121.1
N329—Zn38—I316	106.2 (5)	C314—C315—C316	118 (2)
N329—Zn38—I315	111.2 (6)	C314—C315—H315	121.1
N328—Zn38—I316	102.9 (6)	C381—C385—H385	120.9
N328—Zn38—I315	113.3 (7)	C381—C385—C384	118 (2)
N328—Zn38—N329	98.8 (8)	C384—C385—H385	120.9
I310—Zn35—I309	122.9 (4)	N306—C318—C317	125 (2)
N318—Zn35—I310	107.2 (6)	N306—C318—H318	117.7
N318—Zn35—I309	112.5 (7)	C317—C318—H318	117.7
N318—Zn35—N317	96.1 (9)	C8A—O2A—C14A	118 (2)
N317—Zn35—I310	100.1 (7)	C353—C352—C344	122 (2)
N317—Zn35—I309	114.1 (8)	C351—C352—C344	120 (2)
C325—N310—C326	115.9 (12)	C351—C352—C353	118 (3)
C378—N325—C379	114.0 (17)	C309—C310—C311	120 (2)
C342—N314—C343	114.7 (17)	C309—C310—H310	120.1
C397—N332—C398	116.5 (13)	C311—C310—H310	120.1
C307—N303—C306	113.7 (16)	C399—C400—H400	119.7
C330—N311—Zn44^viii	118.6 (10)	C401—C400—C399	120.6 (16)
C329—N311—Zn44^viii	124.1 (9)	C401—C400—H400	119.7
C329—N311—C330	117.0 (12)	N328—C390—H390	119.4
C362—N319—C360	114.8 (12)	C389—C390—N328	121 (2)
C319—N307—Zn32	122.4 (12)	C389—C390—H390	119.4
C319—N307—Zn42	116.5 (12)	N318—C355—C356	124 (2)
C319—N307—Zn52	94.9 (15)	N318—C355—H355	118.2
C323—N307—Zn32	121.3 (12)	C356—C355—H355	118.2
C323—N307—C319	116.3 (14)	N322—C365—C364	122.1 (16)
C323—N307—Zn42	127.3 (12)	N322—C365—H365	118.9
C323—N307—Zn52	146.6 (17)	C364—C365—H365	118.9
C324—N308—C326	115.2 (10)	C389—C388—C380	121 (2)
C347—N316—Zn44	125.2 (15)	C387—C388—C380	124 (2)
C347—N316—Zn34	123.4 (15)	C387—C388—C389	114 (2)
C348—N316—Zn44	116.4 (11)	N333—C401—C400	122.0 (15)
C348—N316—C347	117.6 (16)	N333—C401—H401	119.0
C348—N316—Zn34	118.2 (11)	C400—C401—H401	119.0
C361—N321—C362	113.9 (13)	N327—C384—C385	120.6 (19)
C308—N302—C306	115.1 (14)	N327—C384—H384	119.7
C308—N304—C307	116.3 (15)	C385—C384—H384	119.7
C398—N330—C396	112.9 (10)	N306—C314—H314	118.2
C380—N326—C379	113.7 (16)	C315—C314—N306	124 (2)
C325—N309—C324	116.2 (10)	C315—C314—H314	118.2
C402—N333—Zn31^v	122.5 (10)	C390—C389—C388	123 (3)
C402—N333—C401	118.0 (12)	C390—C389—H389	118.7
C402—N333—Zn51^v	131.4 (16)	C388—C389—H389	118.7
C401—N333—Zn31^v	119.0 (9)	C350—N317—Zn35	115 (2)
C401—N333—Zn51^v	106.5 (18)	C350—N317—Zn45	130 (2)
C396—N331—C397	113.9 (12)	C350—N317—C354	116 (3)
C343—N315—C344	113.1 (15)	C354—N317—Zn35	128.5 (19)
C312—N305—Zn39^vi	120.1 (12)	C354—N317—Zn45	111.3 (19)
C312—N305—C311	114.1 (16)	C352—C353—H353	120.4
C312—N305—Zn49^vi	122.9 (12)	C354—C353—C352	119 (3)
C311—N305—Zn39^vi	125.7 (16)	C354—C353—H353	120.4
C311—N305—Zn49^vi	122.8 (16)	C5A—C4A—C7A	121.5 (16)
C361—N320—C360	114.9 (11)	C3A—C4A—C5A	120.0 (12)
C318—N306—Zn32	122 (2)	C3A—C4A—C7A	118.3 (16)
C318—N306—C314	117 (2)	C4A—C5A—C13A	117.3 (16)
C318—N306—Zn42	118 (2)	C6A—C5A—C4A	118.7 (12)
C314—N306—Zn32	120.7 (15)	C6A—C5A—C13A	124.0 (17)
C314—N306—Zn42	125.6 (16)	C5A—C6A—H6A	119.3
N303—C306—C303	115.6 (17)	C5A—C6A—C1A	121.4 (12)
N302—C306—N303	125.6 (14)	C1A—C6A—H6A	119.3
N302—C306—C303	118.8 (14)	C6A—C1A—H1AA	120.2
C367—C363—C361	121.7 (12)	C2A—C1A—C6A	119.7 (12)
C367—C363—C364	118.8 (14)	C2A—C1A—H1AA	120.2
C364—C363—C361	119.4 (14)	C1A—C2A—H2A	120.3
C301—N301—Zn31	126.4 (15)	C3A—C2A—C1A	119.3 (13)
C301—N301—Zn41	128.6 (15)	C3A—C2A—H2A	120.3
C301—N301—Zn51	110 (2)	C4A—C3A—H3A	119.6
C301—N301—C305	116.3 (16)	C2A—C3A—C4A	120.9 (12)
C305—N301—Zn31	116.9 (12)	C2A—C3A—H3A	119.6
C305—N301—Zn41	114.5 (12)	C388—C387—H387	122.0
C305—N301—Zn51	131.3 (19)	C388—C387—C386	116 (3)
N310—C325—N309	125.6 (11)	C386—C387—H387	122.0
N310—C325—C327	116.5 (12)	N328—C386—C387	133 (3)
N309—C325—C327	117.4 (11)	N328—C386—H386	113.3
C380—N324—C378	114.4 (17)	C387—C386—H386	113.3
N303—C307—C309	116.2 (17)	C352—C351—H351	122.0
N304—C307—N303	124.0 (14)	C352—C351—C350	116 (2)
N304—C307—C309	119.7 (14)	C350—C351—H351	122.0
N314—C343—C345	117 (2)	C12A—C7A—C4A	119.3 (14)
N315—C343—N314	126.0 (16)	C12A—C7A—C8A	120.0
N315—C343—C345	116.7 (14)	C8A—C7A—C4A	120.7 (14)
C383—N327—Zn37	121.9 (16)	O3A—C12A—C7A	117.9 (13)
C383—N327—C384	118.8 (16)	O3A—C12A—C11A	122.1 (13)
C383—N327—Zn47	125.3 (16)	C7A—C12A—C11A	120.0
C383—N327—Zn57	164 (2)	C12A—C11A—H11A	120.0
C384—N327—Zn37	118.9 (12)	C10A—C11A—C12A	120.0
C384—N327—Zn47	115.1 (12)	C10A—C11A—H11A	120.0
C384—N327—Zn57	77 (2)	C11A—C10A—H10A	120.0
N332—C398—N330	125.4 (13)	C11A—C10A—C9A	120.0
N332—C398—C406	116.9 (13)	C9A—C10A—H10A	120.0
N330—C398—C406	117.7 (11)	C10A—C9A—H9A	120.0
C337—N312—Zn33	124.9 (17)	C8A—C9A—C10A	120.0
C337—N312—Zn43	125.0 (17)	C8A—C9A—H9A	120.0
C337—N312—Zn53	104 (3)	O2A—C8A—C7A	116.6 (15)
C337—N312—C341	116.6 (18)	O2A—C8A—C9A	123.4 (15)
C337—N312—C441	109.1 (19)	C9A—C8A—C7A	120.0
C341—N312—Zn33	115.5 (13)	N317—C350—C351	127 (3)
C441—N312—Zn43	117.2 (14)	N317—C350—H350	116.7
C336—N01O—Zn33	122.2 (12)	C351—C350—H350	116.7
C336—N01O—Zn43	122.1 (12)	C375—C376—H376	122.4
C336—N01O—Zn53	134 (3)	C377—C376—C375	115 (3)
C332—N01O—Zn33	120.3 (11)	C377—C376—H376	122.4
C332—N01O—C336	117.3 (12)	C339—C340—H340	122.1
C332—N01O—Zn43	120.4 (11)	C341—C340—C339	116 (3)
C332—N01O—Zn53	105 (3)	C341—C340—H340	122.1
C368—N01P—Zn36	121.4 (10)	O1A—C13A—C5A	113 (2)
C368—N01P—C372	117.0 (13)	O1A—C13A—H13A	108.9
C368—N01P—Zn46	119.9 (10)	O1A—C13A—H13B	108.9
C368—N01P—Zn56	108.0 (12)	C5A—C13A—H13A	108.9
C372—N01P—Zn36	121.5 (12)	C5A—C13A—H13B	108.9
C372—N01P—Zn46	122.8 (12)	H13A—C13A—H13B	107.7
C372—N01P—Zn56	133.5 (13)	O3A—C15A—H15A	109.5
C373—N323—Zn36	127.5 (14)	O3A—C15A—H15B	109.5
C373—N323—Zn46	125.0 (14)	O3A—C15A—H15C	109.5
C373—N323—Zn56	112.7 (16)	H15A—C15A—H15B	109.5
C373—N323—C377	113.5 (19)	H15A—C15A—H15C	109.5
C373—N323—C477	110.5 (18)	H15B—C15A—H15C	109.5
C377—N323—Zn36	115.2 (14)	N312—Zn43—N01O	101.9 (6)
C477—N323—Zn46	121.1 (15)	N312—Zn43—I406	111.4 (6)
C366—N322—Zn37^vii	122.1 (12)	N312—Zn43—I405	105.2 (7)
C366—N322—Zn47^vii	120.3 (12)	N01O—Zn43—I406	109.1 (6)
C365—N322—Zn37^vii	118.4 (10)	N01O—Zn43—I405	103.3 (7)
C365—N322—C366	119.0 (14)	I405—Zn43—I406	123.6 (4)
C365—N322—Zn47^vii	120.6 (10)	N318—Zn45—I410	114.6 (7)
C391—N329—Zn38	110.8 (14)	N318—Zn45—I409	100.4 (7)
C391—N329—Zn48	129.1 (15)	N317—Zn45—N318	101.9 (9)
C395—N329—Zn38	132.2 (14)	N317—Zn45—I410	116.7 (9)
C395—N329—C391	117.0 (17)	N317—Zn45—I409	97.8 (9)
C395—N329—Zn48	113.8 (14)	I409—Zn45—I410	122.0 (3)
N332—C397—N331	125.2 (12)	N305^ii—Zn49—N334	104.0 (7)
N332—C397—C399	119.6 (13)	N305^ii—Zn49—I418	107.5 (6)
N331—C397—C399	114.7 (12)	N305^ii—Zn49—I417	109.3 (8)
C331—C327—C325	120.9 (12)	N334—Zn49—I418	106.1 (6)
C328—C327—C325	119.8 (14)	N334—Zn49—I417	103.6 (7)
C328—C327—C331	119.2 (13)	I418—Zn49—I417	124.5 (5)
N325—C379—C381	117.2 (18)	N01P—Zn46—N323	102.0 (6)
N326—C379—N325	126.2 (15)	N01P—Zn46—I411	107.9 (6)
N326—C379—C381	116.6 (14)	N01P—Zn46—I412	103.6 (7)
C313—C309—C307	119 (2)	N323—Zn46—I411	108.9 (6)
C310—C309—C307	124.3 (16)	N323—Zn46—I412	106.9 (6)
C310—C309—C313	115.9 (17)	I412—Zn46—I411	125.1 (5)
C335—C334—C326	121.6 (12)	N329—Zn48—I416	114.7 (6)
C335—C334—C333	119.6 (13)	N329—Zn48—I415	101.7 (7)
C333—C334—C326	118.8 (14)	N328—Zn48—N329	99.2 (8)
N308—C324—N309	122.5 (12)	N328—Zn48—I416	117.3 (8)
N308—C324—C321	118.4 (11)	N328—Zn48—I415	97.9 (8)
N309—C324—C321	118.8 (10)	I415—Zn48—I416	122.3 (4)
C327—C331—H331	121.2	N333^iii—Zn41—I402	106.1 (5)
C330—C331—C327	117.6 (12)	N333^iii—Zn41—I401	103.1 (6)
C330—C331—H331	121.2	N301—Zn41—N333^iii	99.2 (5)
C301—C302—H302	120.0	N301—Zn41—I402	104.9 (6)
C301—C302—C303	120.0 (17)	N301—Zn41—I401	106.4 (6)
C303—C302—H302	120.0	I401—Zn41—I402	132.6 (3)
N321—C361—N320	126.5 (12)	N311^i—Zn34—I308	107.6 (5)
N321—C361—C363	117.1 (12)	N311^i—Zn34—I307	105.8 (5)
N320—C361—C363	116.0 (12)	N316—Zn34—N311^i	99.8 (5)
C322—C321—C324	120.5 (13)	N316—Zn34—I308	106.3 (6)
C322—C321—C320	118.1 (13)	N316—Zn34—I307	111.3 (6)
C320—C321—C324	121.3 (11)	I307—Zn34—I308	123.5 (3)
C408—N334—Zn39	119.3 (11)	N327—Zn47—I414	104.3 (7)
C408—N334—Zn49	121.7 (11)	N327—Zn47—I413	108.6 (7)
C404—N334—Zn39	123.1 (10)	N322^iv—Zn47—N327	100.5 (7)
C404—N334—C408	117.7 (12)	N322^iv—Zn47—I414	109.8 (7)
C404—N334—Zn49	120.6 (10)	N322^iv—Zn47—I413	103.9 (7)
C403—C399—C397	122.5 (13)	I413—Zn47—I414	126.8 (5)
C403—C399—C400	116.2 (14)	N307—Zn42—I404	107.6 (7)
C400—C399—C397	121.2 (14)	N307—Zn42—I403	107.1 (7)
N307—C319—H319	118.1	N306—Zn42—N307	101.5 (7)
N307—C319—C320	123.8 (15)	N306—Zn42—I404	106.0 (7)
C320—C319—H319	118.1	N306—Zn42—I403	113.5 (8)
N330—C396—C393	116.0 (11)	I403—Zn42—I404	119.5 (5)
N331—C396—N330	125.7 (13)	N312—Zn53—I506	104 (4)
N331—C396—C393	118.3 (12)	N312—Zn53—I505	131 (4)
C346—C345—C343	124.8 (15)	N01O—Zn53—N312	87 (5)
C349—C345—C343	121.9 (19)	N01O—Zn53—I506	94 (4)
C349—C345—C346	113.3 (16)	N01O—Zn53—I505	119 (3)
N319—C362—N321	126.1 (13)	I505—Zn53—I506	114 (6)
N319—C362—C370	118.2 (12)	O2A—C14A—H14A	109.5
N321—C362—C370	115.7 (14)	O2A—C14A—H14B	109.5
N310—C326—N308	124.4 (11)	O2A—C14A—H14C	109.5
N310—C326—C334	118.0 (13)	H14A—C14A—H14B	109.5
N308—C326—C334	117.6 (12)	H14A—C14A—H14C	109.5
N301—C301—C302	127 (2)	H14B—C14A—H14C	109.5
N301—C301—H301	116.6	N307—Zn52—I504	101.3 (16)
C302—C301—H301	116.6	N307—Zn52—I503	128 (2)
N316—C347—H347	118.7	I503—Zn52—I504	127 (2)
N316—C347—C346	122.5 (19)	N01P—Zn56—I511	100.9 (11)
C346—C347—H347	118.7	N01P—Zn56—I512	119.6 (17)
C344—N313—C342	116.5 (17)	N323—Zn56—N01P	102.6 (10)
N319—C360—C357	117.8 (12)	N323—Zn56—I511	109.8 (13)
N320—C360—N319	123.3 (13)	N323—Zn56—I512	122.4 (16)
N320—C360—C357	118.9 (13)	I512—Zn56—I511	99.2 (14)
C370—C371—H371	119.6	N333^iii—Zn51—N301	102 (3)
C370—C371—C372	120.9 (15)	N333^iii—Zn51—I502	93 (2)
C372—C371—H371	119.6	N333^iii—Zn51—I501	125 (3)
C302—C303—C306	125.4 (15)	N301—Zn51—I502	110 (2)
C304—C303—C306	119 (2)	N301—Zn51—I501	109 (3)
C304—C303—C302	115.6 (18)	I501—Zn51—I502	117 (3)
C345—C346—H346	118.3	N301—C305—C304	122.3 (19)
C347—C346—C345	123.4 (15)	N301—C305—H305	118.9
C347—C346—H346	118.3	C304—C305—H305	118.9
N325—C378—N324	125.1 (16)	N312—C341—H341	119.8
N325—C378—C375	115 (2)	C340—C341—N312	120 (2)
N324—C378—C375	120.0 (17)	C340—C341—H341	119.8
C374—C375—C378	124.6 (18)	N317—C354—H354	119.1
C374—C375—C376	116.3 (19)	C353—C354—N317	122 (2)
C374—C375—C476	115 (2)	C353—C354—H354	119.1
C376—C375—C378	116 (2)	N323—C377—C376	123 (3)
C476—C375—C378	116 (2)	N323—C377—H377	118.4
C359—N318—Zn35	128.9 (14)	C376—C377—H377	118.4
C359—N318—C355	120.2 (18)	C375—C476—H476	122.7
C359—N318—Zn45	110.1 (15)	C477—C476—C375	115 (3)
C355—N318—Zn35	110.4 (17)	C477—C476—H476	122.7
C355—N318—Zn45	129.7 (18)	N323—C477—C476	124 (3)
C358—C357—C360	124.7 (15)	N323—C477—H477	118.1
C358—C357—C356	115.9 (14)	C476—C477—H477	118.1
C356—C357—C360	119.4 (13)	N312—C441—H441	121.1
C407—C406—C398	123.2 (13)	C440—C441—N312	118 (3)
C407—C406—C405	118.2 (13)	C440—C441—H441	121.1
C405—C406—C398	118.6 (13)	C339—C440—C441	119 (3)
C363—C367—H367	120.2	C339—C440—H440	120.6
C363—C367—C366	119.6 (13)	C441—C440—H440	120.6
C366—C367—H367	120.2	N327—Zn57—I514	153 (3)
C382—C381—C379	123.0 (16)	N327—Zn57—I513	86.1 (19)
C382—C381—C385	118.2 (17)	I513—Zn57—I514	120 (2)
C385—C381—C379	119 (2)	C8C—O2C—C14C	116 (3)
C394—C393—C396	124.3 (14)	C8B—O2B—C14B	120 (2)
C394—C393—C392	117.6 (15)	C12C—O3C—C15C	117 (4)
C392—C393—C396	118.0 (12)	C13B—O1B—H1B	109.5
N314—C342—N313	125.1 (15)	C12B—O3B—C15B	119 (5)
N314—C342—C339	118.7 (19)	C13C—O1C—H1C	109.5
N313—C342—C339	116.1 (16)	C5B—C4B—C7B	128 (4)
C321—C322—H322	120.3	C3B—C4B—C5B	120 (2)
C321—C322—C323	119.3 (15)	C3B—C4B—C7B	112 (4)
C323—C322—H322	120.3	C5C—C4C—C7C	117 (3)
N307—C323—C322	125.4 (16)	C5C—C4C—C3C	119 (3)
N307—C323—H323	117.3	C3C—C4C—C7C	124 (3)
C322—C323—H323	117.3	C4C—C5C—C6C	121 (3)
C371—C370—C362	121.0 (13)	C4C—C5C—C13C	119 (2)
C371—C370—C369	118.4 (14)	C6C—C5C—C13C	120 (2)
C369—C370—C362	120.5 (14)	C4B—C5B—C6B	120 (2)
C334—C335—H335	120.3	C4B—C5B—C13B	112 (4)
C334—C335—C336	119.4 (14)	C6B—C5B—C13B	128 (4)
C336—C335—H335	120.3	O3C—C12C—C11C	117 (4)
C321—C320—C319	117.1 (14)	O3C—C12C—C7C	123 (4)
C321—C320—H320	121.5	C7C—C12C—C11C	121 (2)
C319—C320—H320	121.5	O3B—C12B—C7B	115 (4)
N326—C380—N324	127 (2)	O3B—C12B—C11B	125 (4)
N326—C380—C388	118.5 (19)	C7B—C12B—C11B	120 (2)
N324—C380—C388	114.9 (18)	C6C—C1C—H1CA	120.2
C327—C328—H328	120.5	C6C—C1C—C2C	120 (3)
C327—C328—C329	119.0 (14)	C2C—C1C—H1CA	120.2
C329—C328—H328	120.5	O2B—C14B—H14G	109.5
N302—C308—N304	125 (2)	O2B—C14B—H14H	109.5
N302—C308—C316	117.4 (15)	O2B—C14B—H14I	109.5
N304—C308—C316	117.3 (17)	H14G—C14B—H14H	109.5
N334—C408—H408	119.9	H14G—C14B—H14I	109.5
C407—C408—N334	120.2 (16)	H14H—C14B—H14I	109.5
C407—C408—H408	119.9	C12B—C7B—C4B	124 (3)
N333—C402—H402	119.0	C12B—C7B—C8B	120 (2)
N333—C402—C403	122.1 (15)	C8B—C7B—C4B	116 (3)
C403—C402—H402	119.0	C6B—C1B—H1BA	120.2
C338—C339—C342	120.9 (18)	C6B—C1B—C2B	120 (2)
C338—C339—C340	117.3 (19)	C2B—C1B—H1BA	120.2
C338—C339—C440	110 (2)	C12B—C11B—H11B	120.1
C340—C339—C342	118 (3)	C10B—C11B—C12B	120 (2)
C440—C339—C342	122 (2)	C10B—C11B—H11B	120.1
C381—C382—H382	118.5	C11B—C10B—H10B	119.5
C381—C382—C383	123.0 (18)	C11B—C10B—C9B	121 (2)
C383—C382—H382	118.5	C9B—C10B—H10B	119.5
C334—C333—H333	122.6	C5C—C6C—H6C	120.1
C332—C333—C334	114.7 (15)	C1C—C6C—C5C	120 (3)
C332—C333—H333	122.6	C1C—C6C—H6C	120.1
N305—C312—H312	117.7	O2C—C14C—H14D	109.5
N305—C312—C313	124.7 (18)	O2C—C14C—H14E	109.5
C313—C312—H312	117.7	O2C—C14C—H14F	109.5
N334—C404—H404	117.3	H14D—C14C—H14E	109.5
N334—C404—C405	125.4 (13)	H14D—C14C—H14F	109.5
C405—C404—H404	117.3	H14E—C14C—H14F	109.5
N311—C330—C331	123.9 (14)	C12C—C11C—H11C	120.6
N311—C330—H330	118.1	C12C—C11C—C10C	119 (2)
C331—C330—H330	118.1	C10C—C11C—H11C	120.6
C406—C407—H407	118.7	O1C—C13C—C5C	111 (4)
C408—C407—C406	122.6 (15)	O1C—C13C—H13C	109.4
C408—C407—H407	118.7	O1C—C13C—H13D	109.4
C12A—O3A—C15A	120 (2)	C5C—C13C—H13C	109.4
C406—C405—H405	122.2	C5C—C13C—H13D	109.4
C404—C405—C406	115.7 (15)	H13C—C13C—H13D	108.0
C404—C405—H405	122.2	C12C—C7C—C4C	123 (4)
N327—C383—C382	121 (2)	C8C—C7C—C4C	117 (4)
N327—C383—H383	119.5	C8C—C7C—C12C	121 (2)
C382—C383—H383	119.5	O3B—C15B—H15G	109.5
N01O—C336—C335	122.8 (16)	O3B—C15B—H15H	109.5
N01O—C336—H336	118.6	O3B—C15B—H15I	109.5
C335—C336—H336	118.6	H15G—C15B—H15H	109.5
N305—C311—H311	116.8	H15G—C15B—H15I	109.5
N305—C311—C310	126 (2)	H15H—C15B—H15I	109.5
C310—C311—H311	116.8	C10C—C9C—H9C	119.9
C357—C358—H358	118.9	C8C—C9C—H9C	119.9
C357—C358—C359	122.2 (17)	C8C—C9C—C10C	120 (2)
C359—C358—H358	118.9	C10B—C9B—H9B	120.8
C399—C403—C402	120.5 (13)	C8B—C9B—C10B	118 (2)
C399—C403—H403	119.8	C8B—C9B—H9B	120.8
C402—C403—H403	119.8	C5B—C6B—H6B	119.7
C390—N328—Zn38	126.5 (16)	C1B—C6B—C5B	121 (2)
C390—N328—Zn48	109.8 (16)	C1B—C6B—H6B	119.7
C386—N328—Zn38	121 (2)	O3C—C15C—H15D	109.5
C386—N328—C390	112 (3)	O3C—C15C—H15E	109.5
C386—N328—Zn48	138 (2)	O3C—C15C—H15F	109.5
N01P—C368—H368	117.9	H15D—C15C—H15E	109.5
N01P—C368—C369	124.2 (13)	H15D—C15C—H15F	109.5
C369—C368—H368	117.9	H15E—C15C—H15F	109.5
C316—C317—H317	120.9	C4C—C3C—H3C	120.0
C316—C317—C318	118.1 (19)	C2C—C3C—C4C	120 (3)
C318—C317—H317	120.9	C2C—C3C—H3C	120.0
N01O—C332—C333	126.1 (15)	O1B—C13B—C5B	111 (3)
N01O—C332—H332	116.9	O1B—C13B—H13E	109.4
C333—C332—H332	116.9	O1B—C13B—H13F	109.4
C375—C374—H374	119.7	C5B—C13B—H13E	109.4
C375—C374—C373	120.6 (19)	C5B—C13B—H13F	109.4
C373—C374—H374	119.7	H13E—C13B—H13F	108.0
C393—C394—H394	119.7	C1C—C2C—C3C	121 (3)
C393—C394—C395	120.6 (17)	C1C—C2C—H2C	119.7
C395—C394—H394	119.7	C3C—C2C—H2C	119.7
N329—C391—H391	118.5	C11C—C10C—H10C	119.7
N329—C391—C392	123.0 (19)	C9C—C10C—C11C	121 (2)
C392—C391—H391	118.5	C9C—C10C—H10C	119.7
C370—C369—H369	121.3	C4B—C3B—H3B	119.8
C368—C369—C370	117.4 (16)	C4B—C3B—C2B	120 (2)
C368—C369—H369	121.3	C2B—C3B—H3B	119.8
C357—C356—H356	120.5	C1B—C2B—C3B	120 (2)
C357—C356—C355	118.9 (16)	C1B—C2B—H2B	120.0
C355—C356—H356	120.5	C3B—C2B—H2B	120.0
N311—C329—C328	123.3 (12)	O2C—C8C—C7C	114 (4)
N311—C329—H329	118.4	O2C—C8C—C9C	127 (4)
C328—C329—H329	118.4	C7C—C8C—C9C	119 (2)
C339—C338—H338	120.2	O2B—C8B—C7B	118 (2)
C339—C338—C337	120 (2)	O2B—C8B—C9B	122 (2)
C337—C338—H338	120.2	C9B—C8B—C7B	121 (2)
N316—C348—H348	118.7
Zn44^viii—N311—C330—C331	176.7 (17)	C380—C388—C389—C390	−176 (2)
Zn44^viii—N311—C329—C328	−175.1 (17)	C380—C388—C387—C386	−177 (2)
Zn44—N316—C347—C346	170.3 (12)	C328—C327—C331—C330	0 (3)
Zn44—N316—C348—C349	−169.6 (17)	C308—N302—C306—N303	−2.1 (19)
Zn39^vi—N305—C312—C313	−173.6 (17)	C308—N302—C306—C303	177.2 (12)
Zn39^vi—N305—C311—C310	171.9 (17)	C308—N304—C307—N303	−0.7 (18)
Zn39—N334—C408—C407	−173.1 (16)	C308—N304—C307—C309	−175.9 (12)
Zn39—N334—C404—C405	173 (2)	C308—C316—C315—C314	−179.5 (17)
Zn31^v—N333—C402—C403	172.4 (17)	C408—N334—C404—C405	−7 (4)
Zn31^v—N333—C401—C400	−179 (2)	C402—N333—C401—C400	−7 (4)
Zn31—N301—C301—C302	168.8 (13)	C339—C338—C337—N312	2 (4)
Zn31—N301—C305—C304	−170.8 (18)	C339—C340—C341—N312	−5 (5)
Zn36—N01P—C368—C369	177.0 (19)	C382—C381—C385—C384	2 (3)
Zn36—N01P—C372—C371	−178.3 (17)	C333—C334—C326—N310	173.6 (19)
Zn36—N323—C373—C374	177.8 (17)	C333—C334—C326—N308	−6 (3)
Zn36—N323—C377—C376	−174 (4)	C333—C334—C335—C336	1 (3)
Zn33—N312—C337—C338	174.3 (18)	C312—N305—C311—C310	−5 (3)
Zn33—N312—C341—C340	−174 (2)	C404—N334—C408—C407	6 (3)
Zn33—N01O—C336—C335	−172.8 (17)	C330—N311—C329—C328	−1 (3)
Zn33—N01O—C332—C333	173 (2)	C407—C406—C405—C404	1 (3)
Zn37—N327—C383—C382	173.0 (13)	O3A—C12A—C11A—C10A	−180 (2)
Zn37—N327—C384—C385	−170.0 (18)	C405—C406—C407—C408	0 (3)
Zn37^vii—N322—C366—C367	173.8 (17)	C383—N327—C384—C385	3 (3)
Zn37^vii—N322—C365—C364	−175 (2)	C336—N01O—C332—C333	−2 (4)
Zn32—N307—C319—C320	179.3 (16)	C311—N305—C312—C313	3 (3)
Zn32—N307—C323—C322	−178 (2)	C358—C357—C356—C355	−4 (4)
Zn32—N306—C318—C317	−175.8 (18)	C403—C399—C400—C401	−7 (4)
Zn32—N306—C314—C315	−179.9 (17)	N328—C390—C389—C388	−6 (4)
Zn38—N329—C391—C392	−179 (100)	C368—N01P—C372—C371	−3 (3)
Zn38—N329—C395—C394	179.4 (18)	C317—C316—C315—C314	−3 (3)
Zn38—N328—C390—C389	−168 (2)	C332—N01O—C336—C335	3 (3)
Zn38—N328—C386—C387	177 (3)	C374—C375—C376—C377	22 (5)
Zn35—N318—C359—C358	177.6 (18)	C374—C375—C476—C477	−20 (4)
Zn35—N318—C355—C356	−179 (100)	C394—C393—C392—C391	−4 (3)
Zn35—N317—C350—C351	178 (3)	C391—N329—C395—C394	0 (4)
Zn35—N317—C354—C353	−170 (2)	C356—C357—C358—C359	5 (4)
N310—C325—C327—C331	−4 (3)	C329—N311—C330—C331	2 (3)
N310—C325—C327—C328	178.4 (18)	C338—C339—C340—C341	22 (4)
N325—C379—C381—C382	7 (2)	C338—C339—C440—C441	−30 (4)
N325—C379—C381—C385	−169.6 (18)	C348—N316—C347—C346	1 (2)
N325—C378—C375—C374	13 (3)	C372—N01P—C368—C369	2 (3)
N325—C378—C375—C376	−148 (3)	C372—C371—C370—C362	178 (2)
N325—C378—C375—C476	167 (2)	C372—C371—C370—C369	−3 (3)
N314—C343—C345—C346	9 (2)	C373—N323—C377—C376	−15 (6)
N314—C343—C345—C349	−169.8 (16)	C373—N323—C477—C476	29 (5)
N314—C342—C339—C338	11 (3)	C349—C345—C346—C347	3 (2)
N314—C342—C339—C340	−145 (2)	C316—C317—C318—N306	−7 (4)
N314—C342—C339—C440	157 (3)	C316—C315—C314—N306	−1 (3)
N332—C398—C406—C407	−3 (3)	C359—N318—C355—C356	−7 (4)
N332—C398—C406—C405	176.7 (19)	C337—N312—C341—C340	−13 (4)
N332—C397—C399—C403	−8 (3)	C337—N312—C441—C440	36 (4)
N332—C397—C399—C400	171 (2)	C392—C393—C394—C395	5 (3)
N303—C306—C303—C302	3.7 (19)	C395—N329—C391—C392	1 (4)
N303—C306—C303—C304	−175.6 (15)	C344—N315—C343—N314	−1 (2)
N303—C307—C309—C313	173.7 (15)	C344—N315—C343—C345	178.2 (14)
N303—C307—C309—C310	3 (2)	C344—N313—C342—N314	1 (3)
N319—C362—C370—C371	174 (2)	C344—N313—C342—C339	−176.5 (17)
N319—C362—C370—C369	−4 (3)	C344—C352—C353—C354	−177 (2)
N319—C360—C357—C358	−10 (3)	C344—C352—C351—C350	−176 (3)
N319—C360—C357—C356	174 (2)	C366—N322—C365—C364	−2 (4)
N307—C319—C320—C321	−1 (3)	C313—C309—C310—C311	10 (3)
N308—C324—C321—C322	−10 (3)	C364—C363—C361—N321	175 (2)
N308—C324—C321—C320	173.1 (18)	C364—C363—C361—N320	1 (3)
N316—C347—C346—C345	−3 (2)	C364—C363—C367—C366	5 (3)
N316—C348—C349—C345	0 (3)	C385—C381—C382—C383	1 (3)
N321—C362—C370—C371	−4 (3)	C318—N306—C314—C315	1 (3)
N321—C362—C370—C369	177.5 (19)	C318—C317—C316—C308	−176.8 (19)
N302—C306—C303—C302	−175.8 (13)	C318—C317—C316—C315	6 (3)
N302—C306—C303—C304	5 (2)	C352—C353—C354—N317	−7 (5)
N302—C308—C316—C317	163.9 (17)	C352—C351—C350—N317	−9 (6)
N302—C308—C316—C315	−19 (2)	C310—C309—C313—C312	−11 (3)
N304—C307—C309—C313	−11 (2)	C400—C399—C403—C402	2 (3)
N304—C307—C309—C310	178.4 (16)	C390—N328—C386—C387	3 (5)
N304—C308—C316—C317	−15 (2)	C355—N318—C359—C358	7 (4)
N304—C308—C316—C315	161.7 (16)	C365—N322—C366—C367	1 (4)
N330—C398—C406—C407	176.7 (18)	C388—C387—C386—N328	−11 (5)
N330—C398—C406—C405	−3 (3)	C401—N333—C402—C403	1 (3)
N330—C396—C393—C394	−8 (3)	C384—N327—C383—C382	1 (2)
N330—C396—C393—C392	171.5 (19)	C314—N306—C318—C317	3 (4)
N326—C379—C381—C382	−170.8 (15)	C389—C388—C387—C386	10 (4)
N326—C379—C381—C385	13 (2)	C353—C352—C351—C350	14 (5)
N326—C380—C388—C389	−18 (3)	C4A—C5A—C6A—C1A	3 (4)
N326—C380—C388—C387	169 (2)	C4A—C5A—C13A—O1A	161 (2)
N309—C325—C327—C331	−175.9 (18)	C4A—C7A—C12A—O3A	0 (2)
N309—C325—C327—C328	6 (3)	C4A—C7A—C12A—C11A	−180 (2)
N309—C324—C321—C322	164 (2)	C4A—C7A—C8A—O2A	0 (2)
N309—C324—C321—C320	−12 (3)	C4A—C7A—C8A—C9A	180 (2)
N333—C402—C403—C399	1 (3)	C5A—C4A—C3A—C2A	−1 (4)
N331—C397—C399—C403	179.1 (19)	C5A—C4A—C7A—C12A	−112 (2)
N331—C397—C399—C400	−1 (3)	C5A—C4A—C7A—C8A	68 (3)
N331—C396—C393—C394	169 (2)	C5A—C6A—C1A—C2A	−1 (4)
N331—C396—C393—C392	−11 (3)	C6A—C5A—C13A—O1A	−16 (4)
N315—C343—C345—C346	−170.8 (15)	C6A—C1A—C2A—C3A	−1 (4)
N315—C343—C345—C349	11 (2)	C1A—C2A—C3A—C4A	2 (3)
N315—C344—C352—C353	−22 (3)	C3A—C4A—C5A—C6A	−2 (4)
N315—C344—C352—C351	168 (3)	C3A—C4A—C5A—C13A	−180 (3)
N305—C312—C313—C309	4 (3)	C3A—C4A—C7A—C12A	72 (3)
N305—C311—C310—C309	−2 (4)	C3A—C4A—C7A—C8A	−107 (2)
N320—C360—C357—C358	169 (2)	C387—C388—C389—C390	−2 (4)
N320—C360—C357—C356	−8 (3)	C386—N328—C390—C389	6 (4)
C306—N303—C307—N304	−1.3 (17)	C351—C352—C353—C354	−6 (4)
C306—N303—C307—C309	174.1 (11)	C7A—C4A—C5A—C6A	−177 (2)
C306—N302—C308—N304	0 (2)	C7A—C4A—C5A—C13A	5 (4)
C306—N302—C308—C316	−179.2 (12)	C7A—C4A—C3A—C2A	175 (2)
C306—C303—C304—C305	176.5 (18)	C7A—C12A—C11A—C10A	0.0
C363—C367—C366—N322	−3 (3)	C12A—C7A—C8A—O2A	−179 (2)
C363—C364—C365—N322	4 (5)	C12A—C7A—C8A—C9A	0.0
C325—N310—C326—N308	5 (3)	C12A—C11A—C10A—C9A	0.0
C325—N310—C326—C334	−174.3 (17)	C11A—C10A—C9A—C8A	0.0
C325—N309—C324—N308	0 (3)	C10A—C9A—C8A—O2A	179 (2)
C325—N309—C324—C321	−174.4 (16)	C10A—C9A—C8A—C7A	0.0
C325—C327—C331—C330	−177.9 (18)	C8A—C7A—C12A—O3A	180 (2)
C325—C327—C328—C329	179.1 (19)	C8A—C7A—C12A—C11A	0.0
N324—C378—C375—C374	−171.1 (19)	C350—N317—C354—C353	13 (5)
N324—C378—C375—C376	28 (3)	C376—C375—C374—C373	−18 (4)
N324—C378—C375—C476	−17 (3)	C340—C339—C338—C337	−22 (3)
N324—C380—C388—C389	163 (2)	C13A—C5A—C6A—C1A	−179 (3)
N324—C380—C388—C387	−9 (3)	C15A—O3A—C12A—C7A	170 (2)
C307—N303—C306—N302	2.8 (18)	C15A—O3A—C12A—C11A	−11 (3)
C307—N303—C306—C303	−176.6 (10)	Zn43—N312—C337—C338	176.1 (19)
C307—N304—C308—N302	2 (2)	Zn43—N312—C441—C440	−174 (3)
C307—N304—C308—C316	−179.5 (12)	Zn43—N01O—C336—C335	−173.5 (17)
C307—C309—C313—C312	177.4 (17)	Zn43—N01O—C332—C333	174 (2)
C307—C309—C310—C311	−179.0 (17)	Zn45—N318—C359—C358	−174.1 (19)
C343—N314—C342—N313	−2 (2)	Zn45—N318—C355—C356	174 (2)
C343—N314—C342—C339	174.8 (14)	Zn45—N317—C350—C351	−166 (3)
C343—N315—C344—N313	−1 (3)	Zn45—N317—C354—C353	178 (2)
C343—N315—C344—C352	−179.9 (16)	Zn49^vi—N305—C312—C313	−172.4 (17)
C343—C345—C346—C347	−175.9 (14)	Zn49^vi—N305—C311—C310	170.8 (18)
C343—C345—C349—C348	177.6 (17)	Zn49—N334—C408—C407	−171.6 (16)
C398—N332—C397—N331	−5 (3)	Zn49—N334—C404—C405	172 (2)
C398—N332—C397—C399	−176.9 (17)	Zn46—N01P—C368—C369	175 (2)
C398—N330—C396—N331	−3 (3)	Zn46—N01P—C372—C371	−175.6 (17)
C398—N330—C396—C393	174.8 (16)	Zn46—N323—C373—C374	177.6 (17)
C398—C406—C407—C408	179 (2)	Zn46—N323—C477—C476	−171 (3)
C398—C406—C405—C404	−179 (2)	Zn48—N329—C391—C392	176.4 (19)
N312—C441—C440—C339	−3 (5)	Zn48—N329—C395—C394	−176.5 (19)
N01P—C368—C369—C370	−1 (4)	Zn48—N328—C390—C389	−179 (2)
N329—C391—C392—C393	2 (4)	Zn48—N328—C386—C387	−169 (3)
C397—N332—C398—N330	6 (3)	Zn41—N301—C301—C302	167.9 (12)
C397—N332—C398—C406	−173.7 (17)	Zn41—N301—C305—C304	−170.5 (19)
C397—N331—C396—N330	4 (3)	Zn34—N316—C347—C346	170.6 (11)
C397—N331—C396—C393	−173.7 (17)	Zn34—N316—C348—C349	−169.4 (16)
C397—C399—C403—C402	−179 (2)	Zn47—N327—C383—C382	169.7 (12)
C397—C399—C400—C401	173 (2)	Zn47—N327—C384—C385	−167.6 (19)
C327—C331—C330—N311	−2 (3)	Zn47^vii—N322—C366—C367	177.1 (17)
C327—C328—C329—N311	−1 (4)	Zn47^vii—N322—C365—C364	−178 (2)
C379—N325—C378—N324	−3 (2)	Zn42—N307—C319—C320	−179 (100)
C379—N325—C378—C375	173.1 (14)	Zn42—N307—C323—C322	−179.4 (19)
C379—N326—C380—N324	0 (2)	Zn42—N306—C318—C317	180 (2)
C379—N326—C380—C388	−178.9 (16)	Zn42—N306—C314—C315	−175.1 (17)
C379—C381—C382—C383	−175.8 (14)	Zn53—N312—C337—C338	175 (3)
C379—C381—C385—C384	179.1 (19)	Zn53—N01O—C336—C335	−151 (4)
C334—C335—C336—N01O	−2 (3)	Zn53—N01O—C332—C333	159 (4)
C334—C333—C332—N01O	1 (4)	C14A—O2A—C8A—C7A	−172 (3)
C324—N308—C326—N310	−3 (3)	C14A—O2A—C8A—C9A	9 (4)
C324—N308—C326—C334	176.6 (17)	Zn52—N307—C319—C320	−166 (2)
C324—N309—C325—N310	3 (3)	Zn52—N307—C323—C322	157 (3)
C324—N309—C325—C327	174.2 (16)	Zn56—N01P—C368—C369	169 (2)
C324—C321—C322—C323	−175 (2)	Zn56—N01P—C372—C371	−166.9 (19)
C324—C321—C320—C319	176.2 (18)	Zn56—N323—C373—C374	174 (2)
C331—C327—C328—C329	1 (3)	Zn51^v—N333—C402—C403	155 (2)
C302—C303—C304—C305	−3 (3)	Zn51^v—N333—C401—C400	−167 (3)
C361—N321—C362—N319	7 (3)	Zn51—N301—C301—C302	163 (3)
C361—N321—C362—C370	−175.1 (17)	Zn51—N301—C305—C304	−160 (4)
C361—N320—C360—N319	5 (3)	C305—N301—C301—C302	−3 (3)
C361—N320—C360—C357	−173.5 (17)	C341—N312—C337—C338	15 (4)
C361—C363—C367—C366	−177.7 (19)	C354—N317—C350—C351	−5 (6)
C361—C363—C364—C365	177 (2)	C377—N323—C373—C374	21 (4)
C321—C322—C323—N307	−2 (4)	C476—C375—C374—C373	27 (3)
N334—C408—C407—C406	−3 (3)	C477—N323—C373—C374	−23 (3)
N334—C404—C405—C406	3 (4)	C441—N312—C337—C338	−37 (4)
C399—C400—C401—N333	10 (5)	C440—C339—C338—C337	33 (3)
C319—N307—C323—C322	0 (4)	Zn57—N327—C383—C382	179 (100)
C396—N330—C398—N332	−3 (3)	Zn57—N327—C384—C385	−177 (4)
C396—N330—C398—C406	177.3 (17)	O3C—C12C—C11C—C10C	176 (6)
C396—N331—C397—N332	0 (3)	O3C—C12C—C7C—C4C	8 (6)
C396—N331—C397—C399	172.5 (17)	O3C—C12C—C7C—C8C	−177 (6)
C396—C393—C394—C395	−175 (2)	O3B—C12B—C7B—C4B	−6 (5)
C396—C393—C392—C391	176 (2)	O3B—C12B—C7B—C8B	180 (3)
C362—N319—C360—N320	−3 (3)	O3B—C12B—C11B—C10B	−179 (4)
C362—N319—C360—C357	175.5 (17)	C4B—C5B—C6B—C1B	−1 (3)
C362—N321—C361—N320	−4 (3)	C4B—C5B—C13B—O1B	−162 (6)
C362—N321—C361—C363	−177.7 (16)	C4B—C7B—C8B—O2B	5 (5)
C362—C370—C369—C368	−180 (2)	C4B—C7B—C8B—C9B	−178 (4)
C326—N310—C325—N309	−5 (3)	C4B—C3B—C2B—C1B	−1 (4)
C326—N310—C325—C327	−176.6 (16)	C4C—C5C—C6C—C1C	1 (3)
C326—N308—C324—N309	0 (3)	C4C—C5C—C13C—O1C	−162 (4)
C326—N308—C324—C321	174.4 (16)	C4C—C7C—C8C—O2C	3 (6)
C326—C334—C335—C336	−177.4 (19)	C4C—C7C—C8C—C9C	175 (5)
C326—C334—C333—C332	178 (2)	C4C—C3C—C2C—C1C	−1 (4)
C301—N301—C305—C304	2 (3)	C5C—C4C—C7C—C12C	−74 (5)
C301—C302—C303—C306	−177.4 (13)	C5C—C4C—C7C—C8C	111 (4)
C301—C302—C303—C304	2 (2)	C5C—C4C—C3C—C2C	0 (3)
C347—N316—C348—C349	0 (3)	C5B—C4B—C7B—C12B	−63 (5)
N313—C342—C339—C338	−171 (2)	C5B—C4B—C7B—C8B	112 (4)
N313—C342—C339—C340	32 (3)	C5B—C4B—C3B—C2B	0 (3)
N313—C342—C339—C440	−25 (3)	C12C—C11C—C10C—C9C	1 (6)
N313—C344—C352—C353	159 (2)	C12C—C7C—C8C—O2C	−173 (5)
N313—C344—C352—C351	−11 (4)	C12C—C7C—C8C—C9C	0 (6)
C360—N319—C362—N321	−3 (3)	C12B—C7B—C8B—O2B	−180 (2)
C360—N319—C362—C370	178.9 (17)	C12B—C7B—C8B—C9B	−3 (5)
C360—N320—C361—N321	−1 (3)	C12B—C11B—C10B—C9B	2 (5)
C360—N320—C361—C363	172.2 (16)	C14B—O2B—C8B—C7B	−171 (4)
C360—C357—C358—C359	−172 (2)	C14B—O2B—C8B—C9B	13 (6)
C360—C357—C356—C355	173 (2)	C7B—C4B—C5B—C6B	174 (6)
C371—C370—C369—C368	2 (3)	C7B—C4B—C5B—C13B	3 (7)
C303—C302—C301—N301	1 (2)	C7B—C4B—C3B—C2B	−174 (5)
C303—C304—C305—N301	1 (4)	C7B—C12B—C11B—C10B	0 (3)
C346—C345—C349—C348	−1 (3)	C11B—C12B—C7B—C4B	176 (4)
C378—N325—C379—N326	3 (2)	C11B—C12B—C7B—C8B	1 (2)
C378—N325—C379—C381	−175.0 (12)	C11B—C10B—C9B—C8B	−4 (7)
C378—N324—C380—N326	0 (3)	C10B—C9B—C8B—O2B	−179 (4)
C378—N324—C380—C388	179.0 (16)	C10B—C9B—C8B—C7B	5 (7)
C378—C375—C374—C373	−178.7 (19)	C6C—C5C—C13C—O1C	28 (8)
C378—C375—C376—C377	−176 (3)	C6C—C1C—C2C—C3C	1 (3)
C378—C375—C476—C477	−177 (3)	C14C—O2C—C8C—C7C	−178 (5)
C375—C374—C373—N323	−5 (4)	C14C—O2C—C8C—C9C	11 (9)
C375—C376—C377—N323	−6 (7)	C11C—C12C—C7C—C4C	−175 (5)
C375—C476—C477—N323	−8 (6)	C11C—C12C—C7C—C8C	0 (3)
C357—C358—C359—N318	−6 (4)	C13C—C5C—C6C—C1C	171 (6)
C357—C356—C355—N318	6 (4)	C7C—C4C—C5C—C6C	173 (5)
C367—C363—C361—N321	−2 (3)	C7C—C4C—C5C—C13C	2 (5)
C367—C363—C361—N320	−176.3 (18)	C7C—C4C—C3C—C2C	−172 (5)
C367—C363—C364—C365	−6 (4)	C7C—C12C—C11C—C10C	0 (3)
C381—C382—C383—N327	−2 (3)	C15B—O3B—C12B—C7B	168 (5)
C381—C385—C384—N327	−4 (4)	C15B—O3B—C12B—C11B	−14 (6)
C393—C394—C395—N329	−3 (4)	C6B—C5B—C13B—O1B	28 (11)
C342—N314—C343—N315	3 (2)	C6B—C1B—C2B—C3B	0 (3)
C342—N314—C343—C345	−176.9 (13)	C15C—O3C—C12C—C11C	−13 (7)
C342—N313—C344—N315	1 (3)	C15C—O3C—C12C—C7C	163 (5)
C342—N313—C344—C352	−179.8 (18)	C3C—C4C—C5C—C6C	0 (2)
C342—C339—C338—C337	−177.7 (19)	C3C—C4C—C5C—C13C	−171 (6)
C342—C339—C340—C341	179 (2)	C3C—C4C—C7C—C12C	99 (5)
C342—C339—C440—C441	−180 (3)	C3C—C4C—C7C—C8C	−76 (5)
C322—C321—C320—C319	−1 (3)	C13B—C5B—C6B—C1B	168 (8)
C323—N307—C319—C320	1 (3)	C2C—C1C—C6C—C5C	−1 (3)
C370—C371—C372—N01P	4 (3)	C10C—C9C—C8C—O2C	172 (6)
C335—C334—C326—N310	−8 (3)	C10C—C9C—C8C—C7C	1 (7)
C335—C334—C326—N308	173.1 (19)	C3B—C4B—C5B—C6B	0 (2)
C335—C334—C333—C332	−1 (3)	C3B—C4B—C5B—C13B	−171 (7)
C320—C321—C322—C323	2 (3)	C3B—C4B—C7B—C12B	111 (4)
C380—N326—C379—N325	−1 (2)	C3B—C4B—C7B—C8B	−74 (4)
C380—N326—C379—C381	176.3 (13)	C2B—C1B—C6B—C5B	0 (3)
C380—N324—C378—N325	1 (2)	C8C—C9C—C10C—C11C	−1 (7)
C380—N324—C378—C375	−174.3 (16)

Symmetry codes: (i) x, −y, z+1/2; (ii) x+1/2, y+3/2, z+1; (iii) x−1/2, −y+1/2, z−1/2; (iv) x, −y+1, z+1/2; (v) x+1/2, −y+1/2, z+1/2; (vi) x−1/2, y−3/2, z−1; (vii) x, −y+1, z−1/2; (viii) x, −y, z−1/2.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (25_5_24a)

Crystal data

C36H24I6N12Zn3·0.259(C15H16O3)	F(000) = 6125
Mr = 1645.46	Dx = 1.374 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.5084 (12) Å	Cell parameters from 6986 reflections
b = 14.9904 (4) Å	θ = 2.6–70.5°
c = 31.4216 (16) Å	µ = 19.57 mm^−1
β = 101.916 (4)°	T = 100 K
V = 15904.0 (11) Å^3	Block, light yellow
Z = 8	0.21 × 0.1 × 0.05 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	14369 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	9492 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.050
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −41→40
Absorption correction: analytical CrysAlisPro 1.171.41.89a (Rigaku Oxford Diffraction, 2020) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −17→17
Tmin = 0.135, Tmax = 0.436	l = −37→37
49830 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.126	H-atom parameters constrained
wR(F^2) = 0.406	w = 1/[σ^2(Fo^2) + (0.1997P)^2 + 231.4372P] where P = (Fo^2 + 2Fc^2)/3
S = 1.07	(Δ/σ)max = 0.004
14369 reflections	Δρmax = 1.11 e Å^−3
784 parameters	Δρmin = −1.18 e Å^−3
334 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I301	0.61465 (18)	−0.2397 (4)	0.0616 (3)	0.130 (2)	0.5084
I302	0.52406 (11)	−0.1487 (3)	0.13891 (12)	0.1130 (11)	0.5084
I303	0.8866 (2)	−0.2399 (3)	0.3969 (2)	0.156 (3)	0.4862
I304	0.8477 (3)	−0.0858 (8)	0.5054 (3)	0.179 (5)	0.4862
I306	0.73754 (11)	0.73057 (15)	0.29420 (13)	0.1104 (9)	0.534
I305	0.63103 (10)	0.65694 (17)	0.19591 (10)	0.1208 (8)	0.534
Zn31	0.5804 (2)	−0.1270 (4)	0.1012 (2)	0.094 (2)	0.5084
Zn32	0.8767 (3)	−0.0980 (6)	0.4395 (3)	0.114 (4)	0.4862
Zn33	0.6756 (3)	0.6391 (4)	0.2698 (4)	0.099 (2)	0.534
N304	0.7341 (4)	0.1902 (7)	0.3106 (4)	0.099 (4)
N303	0.7188 (5)	0.0541 (8)	0.2721 (5)	0.105 (5)
N302	0.6809 (4)	0.1821 (8)	0.2509 (4)	0.100 (4)
N309	0.5421 (4)	0.6450 (9)	0.4150 (6)	0.112 (5)
N310	0.5233 (4)	0.7299 (8)	0.4710 (6)	0.105 (5)
N306	0.6909 (5)	0.5053 (9)	0.2831 (6)	0.114 (5)
N308	0.5763 (5)	0.7789 (9)	0.4391 (6)	0.110 (5)
N305	0.8332 (5)	−0.0312 (8)	0.3938 (6)	0.113 (5)
N312	0.5662 (5)	1.0151 (9)	0.5487 (6)	0.107 (5)
C325	0.5530 (4)	0.7861 (9)	0.4668 (7)	0.094 (5)
C309	0.7721 (5)	0.0570 (8)	0.3363 (6)	0.093 (5)
N301	0.6199 (4)	−0.0472 (9)	0.1411 (5)	0.111 (5)
N311	0.4228 (4)	0.4867 (10)	0.4431 (7)	0.119 (5)
C307	0.7410 (6)	0.1027 (10)	0.3049 (6)	0.097 (5)
C327	0.5559 (5)	0.8676 (11)	0.4938 (7)	0.105 (5)
C303	0.6671 (5)	0.0440 (10)	0.2118 (6)	0.101 (5)
C306	0.6897 (6)	0.0945 (10)	0.2478 (6)	0.098 (5)
C326	0.5202 (4)	0.6600 (10)	0.4442 (7)	0.099 (5)
C308	0.7054 (5)	0.2252 (9)	0.2814 (5)	0.093 (5)
C302	0.6741 (6)	−0.0427 (13)	0.2058 (7)	0.114 (5)
H302	0.694369	−0.074768	0.224782	0.137*
C316	0.6992 (5)	0.3241 (10)	0.2840 (6)	0.097 (5)
C331	0.5306 (5)	0.8893 (11)	0.5193 (8)	0.121 (8)
H331	0.508096	0.852435	0.518814	0.145*
C335	0.4669 (5)	0.5990 (12)	0.4759 (7)	0.106 (6)
H335	0.475731	0.637104	0.500152	0.128*
C334	0.4860 (5)	0.5982 (10)	0.4425 (8)	0.107 (6)
C324	0.5688 (5)	0.7056 (11)	0.4138 (8)	0.118 (7)
C317	0.7271 (5)	0.3785 (10)	0.3096 (6)	0.098 (5)
H317	0.749852	0.353131	0.327827	0.117*
C318	0.7218 (6)	0.4703 (10)	0.3084 (7)	0.107 (5)
H318	0.740703	0.507694	0.326129	0.129*
C311	0.8106 (6)	−0.0719 (11)	0.3577 (7)	0.110 (6)
H311	0.816041	−0.132519	0.352460	0.132*
C310	0.7814 (6)	−0.0313 (12)	0.3296 (7)	0.115 (6)
H310	0.767095	−0.062955	0.305101	0.138*
C312	0.8241 (7)	0.0569 (10)	0.3992 (8)	0.132 (8)
H312	0.838772	0.088068	0.423591	0.158*
C313	0.7956 (8)	0.1013 (12)	0.3716 (6)	0.134 (8)
H313	0.791337	0.162927	0.376087	0.161*
C330	0.5360 (5)	0.9652 (11)	0.5470 (8)	0.114 (6)
H330	0.517134	0.978761	0.564148	0.136*
C301	0.6481 (7)	−0.0850 (14)	0.1677 (7)	0.127 (7)
H301	0.652986	−0.146060	0.162440	0.152*
C315	0.6676 (6)	0.3644 (12)	0.2590 (7)	0.123 (7)
H315	0.648091	0.328937	0.240777	0.147*
C336	0.4328 (6)	0.5414 (15)	0.4749 (10)	0.137 (8)
H336	0.418226	0.544283	0.497355	0.164*
C304	0.6353 (8)	0.0860 (11)	0.1819 (8)	0.146 (8)
H304	0.627939	0.146119	0.185681	0.175*
C305	0.6164 (9)	0.0370 (14)	0.1484 (8)	0.170 (11)
H305	0.597798	0.068258	0.127101	0.204*
C328	0.5866 (7)	0.9258 (16)	0.4952 (9)	0.140 (8)
H328	0.604806	0.916843	0.476718	0.167*
C314	0.6629 (7)	0.4546 (15)	0.2592 (9)	0.137 (8)
H314	0.639719	0.481328	0.242368	0.165*
C329	0.5912 (8)	0.9977 (15)	0.5234 (9)	0.138 (8)
H329	0.613339	1.036040	0.524500	0.165*
C332	0.4308 (9)	0.511 (2)	0.4062 (12)	0.121 (7)	0.5506
H332	0.412171	0.499100	0.380004	0.145*	0.5506
C333	0.4666 (9)	0.554 (2)	0.4042 (11)	0.121 (7)	0.5506
H333	0.477096	0.553647	0.378596	0.145*	0.5506
Zn43	0.6896 (2)	0.6501 (4)	0.2949 (3)	0.0938 (19)	0.4194
I406	0.75605 (11)	0.7135 (2)	0.32813 (19)	0.1273 (14)	0.4194
I405	0.65198 (14)	0.7067 (2)	0.22175 (13)	0.1327 (12)	0.4194
I403	0.8986 (2)	−0.2434 (5)	0.4127 (3)	0.0957 (18)	0.3085
Zn42	0.8753 (7)	−0.0969 (17)	0.4414 (7)	0.145 (8)	0.3085
I404	0.8547 (3)	−0.0821 (8)	0.5124 (3)	0.099 (2)	0.3085
N307	0.6475 (4)	0.6603 (10)	0.3244 (6)	0.159 (10)
C323	0.6116 (5)	0.6151 (11)	0.3174 (6)	0.182 (14)
H323	0.604725	0.575260	0.293511	0.218*
C322	0.5857 (4)	0.6282 (12)	0.3454 (7)	0.172 (12)
H322	0.561141	0.597311	0.340565	0.206*
C321	0.5957 (4)	0.6865 (10)	0.3803 (6)	0.141 (9)
C320	0.6317 (4)	0.7316 (11)	0.3873 (6)	0.167 (12)
H320	0.638552	0.771448	0.411192	0.201*
C319	0.6576 (3)	0.7185 (11)	0.3594 (7)	0.187 (15)
H319	0.682136	0.749399	0.364137	0.225*
I401	0.6249 (3)	−0.2222 (5)	0.0623 (2)	0.144 (3)	0.4501
Zn41	0.5798 (3)	−0.1073 (5)	0.0884 (3)	0.083 (2)	0.4501
I402	0.51928 (17)	−0.1447 (3)	0.11853 (10)	0.1229 (17)	0.4501
I503	0.8819 (5)	−0.2385 (6)	0.4274 (5)	0.167 (7)	0.2052
Zn52	0.8664 (13)	−0.083 (3)	0.4417 (18)	0.145 (8)	0.2052
I504	0.8488 (8)	−0.060 (2)	0.5266 (9)	0.255 (15)	0.2052
C433	0.4874 (10)	0.509 (2)	0.4298 (18)	0.121 (7)	0.4493
H433	0.510854	0.483273	0.423923	0.145*	0.4493
C432	0.4521 (11)	0.461 (2)	0.4262 (18)	0.121 (7)	0.4493
H432	0.449587	0.405763	0.410713	0.145*	0.4493
O2A	0.4812 (9)	0.322 (2)	0.1079 (10)	0.086 (8)	0.259
O3A	0.5652 (8)	0.282 (2)	0.2451 (9)	0.084 (7)	0.259
C7A	0.5240 (7)	0.2994 (16)	0.1771 (9)	0.079 (8)	0.259
C4A	0.5337 (9)	0.3966 (16)	0.1808 (13)	0.077 (7)	0.259
C12A	0.5417 (8)	0.2417 (19)	0.2098 (9)	0.081 (8)	0.259
C8A	0.4988 (8)	0.2649 (19)	0.1403 (9)	0.084 (8)	0.259
C9A	0.4910 (10)	0.174 (2)	0.1362 (12)	0.085 (9)	0.259
H9A	0.473962	0.151313	0.110852	0.102*	0.259
C3A	0.5709 (9)	0.4250 (19)	0.1765 (14)	0.076 (8)	0.259
H3A	0.590315	0.382749	0.172422	0.091*	0.259
C14A	0.4538 (18)	0.285 (4)	0.0717 (14)	0.105 (17)	0.259
H14A	0.436786	0.241154	0.082279	0.158*	0.259
H14B	0.468425	0.254964	0.052108	0.158*	0.259
H14C	0.437475	0.332475	0.056066	0.158*	0.259
C11A	0.5335 (11)	0.151 (2)	0.2063 (13)	0.090 (10)	0.259
H11A	0.545159	0.111641	0.229102	0.108*	0.259
C5A	0.5048 (10)	0.458 (2)	0.1860 (17)	0.089 (8)	0.259
C15A	0.5806 (17)	0.225 (4)	0.2814 (13)	0.113 (18)	0.259
H15A	0.582180	0.257709	0.308650	0.170*	0.259
H15B	0.607051	0.203902	0.279351	0.170*	0.259
H15C	0.562947	0.173288	0.280948	0.170*	0.259
C2A	0.5797 (11)	0.516 (2)	0.1782 (14)	0.079 (9)	0.259
H2A	0.605181	0.535111	0.175236	0.095*	0.259
C6A	0.5141 (13)	0.548 (2)	0.1875 (17)	0.093 (10)	0.259
H6A	0.494498	0.590879	0.190798	0.112*	0.259
C1A	0.5514 (13)	0.577 (2)	0.1841 (19)	0.097 (10)	0.259
H1A	0.557556	0.639292	0.185882	0.116*	0.259
C10A	0.5083 (11)	0.117 (2)	0.1696 (13)	0.094 (10)	0.259
H10A	0.502883	0.054972	0.167253	0.113*	0.259
O1A	0.4438 (12)	0.491 (3)	0.2093 (11)	0.095 (10)	0.259
H1AA	0.455994	0.493565	0.235293	0.142*	0.259
C13A	0.4630 (12)	0.428 (3)	0.187 (2)	0.102 (11)	0.259
H13A	0.447841	0.421257	0.156289	0.122*	0.259
H13B	0.463801	0.368567	0.200858	0.122*	0.259
I505	0.6118 (7)	0.6596 (15)	0.2099 (7)	0.080*	0.0466
I506	0.7200 (8)	0.7342 (16)	0.3018 (8)	0.080*	0.0466
Zn53	0.671 (3)	0.629 (5)	0.275 (3)	0.080*	0.0466
I502	0.5403 (7)	−0.1699 (17)	0.1031 (9)	0.080*	0.0415
I501	0.6326 (8)	−0.2351 (17)	0.0310 (9)	0.080*	0.0415
Zn51	0.5927 (15)	−0.134 (4)	0.0687 (18)	0.080*	0.0415

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I301	0.1086 (19)	0.060 (2)	0.185 (5)	0.0130 (17)	−0.053 (2)	−0.0187 (19)
I302	0.1087 (17)	0.0935 (17)	0.117 (2)	−0.0350 (13)	−0.023 (2)	0.001 (2)
I303	0.139 (3)	0.0581 (15)	0.220 (7)	0.0186 (15)	−0.083 (4)	0.007 (3)
I304	0.086 (3)	0.226 (9)	0.206 (8)	−0.029 (3)	−0.012 (4)	0.118 (7)
I306	0.118 (2)	0.0572 (11)	0.172 (3)	−0.0264 (12)	0.0672 (19)	−0.0296 (14)
I305	0.148 (2)	0.0752 (14)	0.138 (2)	0.0140 (14)	0.0287 (17)	−0.0040 (13)
Zn31	0.111 (4)	0.036 (3)	0.113 (5)	−0.017 (2)	−0.028 (3)	0.014 (3)
Zn32	0.121 (6)	0.062 (5)	0.180 (8)	−0.007 (3)	0.079 (6)	0.026 (4)
Zn33	0.110 (5)	0.048 (2)	0.141 (7)	−0.008 (3)	0.032 (4)	−0.007 (3)
N304	0.118 (10)	0.039 (5)	0.116 (9)	−0.032 (6)	−0.031 (8)	−0.007 (5)
N303	0.139 (12)	0.044 (6)	0.119 (10)	−0.047 (7)	−0.006 (9)	−0.007 (6)
N302	0.129 (11)	0.052 (6)	0.104 (9)	−0.040 (7)	−0.010 (8)	−0.001 (6)
N309	0.081 (8)	0.063 (7)	0.194 (16)	−0.005 (6)	0.037 (10)	0.000 (8)
N310	0.068 (7)	0.059 (7)	0.184 (14)	−0.004 (5)	0.012 (8)	0.013 (8)
N306	0.094 (9)	0.066 (8)	0.176 (15)	−0.011 (7)	0.014 (10)	0.003 (9)
N308	0.094 (9)	0.062 (8)	0.172 (14)	0.014 (7)	0.022 (10)	0.018 (8)
N305	0.121 (11)	0.051 (7)	0.155 (13)	−0.017 (7)	−0.002 (10)	0.008 (7)
N312	0.089 (9)	0.065 (8)	0.147 (12)	−0.005 (7)	−0.022 (9)	0.013 (8)
C325	0.054 (7)	0.051 (7)	0.165 (15)	0.002 (6)	−0.005 (9)	0.016 (8)
C309	0.094 (10)	0.039 (6)	0.129 (12)	−0.024 (6)	−0.011 (9)	0.004 (7)
N301	0.101 (9)	0.064 (8)	0.137 (11)	−0.026 (7)	−0.048 (9)	−0.007 (7)
N311	0.090 (9)	0.070 (8)	0.194 (17)	−0.028 (7)	0.026 (10)	−0.008 (10)
C307	0.120 (12)	0.054 (8)	0.109 (11)	−0.015 (8)	0.003 (9)	0.008 (7)
C327	0.074 (9)	0.062 (9)	0.173 (17)	−0.022 (7)	0.009 (10)	0.001 (9)
C303	0.116 (11)	0.061 (8)	0.115 (11)	−0.045 (8)	−0.003 (9)	−0.022 (7)
C306	0.131 (14)	0.056 (8)	0.096 (10)	−0.035 (9)	−0.002 (10)	0.000 (7)
C326	0.066 (8)	0.052 (8)	0.175 (17)	−0.004 (6)	0.016 (10)	0.008 (9)
C308	0.105 (11)	0.053 (7)	0.099 (10)	−0.017 (7)	−0.032 (8)	0.003 (7)
C302	0.119 (12)	0.091 (11)	0.124 (12)	−0.021 (10)	0.006 (10)	−0.021 (10)
C316	0.096 (10)	0.065 (8)	0.117 (11)	−0.034 (8)	−0.005 (9)	0.002 (8)
C331	0.055 (8)	0.061 (9)	0.22 (2)	−0.003 (7)	−0.026 (11)	0.007 (11)
C335	0.067 (8)	0.080 (10)	0.157 (16)	−0.026 (8)	−0.010 (10)	0.015 (10)
C334	0.084 (10)	0.051 (8)	0.191 (19)	0.000 (7)	0.040 (12)	−0.010 (10)
C324	0.081 (10)	0.061 (9)	0.20 (2)	0.003 (8)	0.011 (12)	0.016 (11)
C317	0.098 (10)	0.051 (7)	0.130 (13)	−0.009 (7)	−0.010 (9)	−0.009 (8)
C318	0.108 (12)	0.048 (7)	0.156 (16)	−0.003 (8)	0.003 (11)	−0.013 (9)
C311	0.110 (13)	0.059 (9)	0.154 (16)	−0.014 (9)	0.010 (12)	−0.004 (10)
C310	0.114 (13)	0.067 (10)	0.153 (16)	−0.021 (9)	0.003 (12)	−0.023 (10)
C312	0.169 (19)	0.045 (8)	0.155 (17)	−0.024 (10)	−0.027 (15)	−0.009 (9)
C313	0.20 (2)	0.055 (9)	0.118 (13)	−0.014 (11)	−0.038 (14)	0.009 (9)
C330	0.087 (10)	0.058 (9)	0.191 (19)	0.007 (8)	0.017 (11)	0.025 (10)
C301	0.136 (15)	0.087 (12)	0.143 (15)	−0.034 (11)	−0.004 (13)	−0.046 (11)
C315	0.127 (15)	0.078 (11)	0.134 (14)	−0.029 (10)	−0.041 (12)	0.030 (10)
C336	0.101 (13)	0.096 (14)	0.20 (2)	−0.031 (11)	−0.004 (14)	0.017 (15)
C304	0.179 (17)	0.045 (8)	0.170 (16)	−0.023 (9)	−0.069 (14)	−0.009 (9)
C305	0.20 (2)	0.086 (13)	0.169 (18)	−0.060 (14)	−0.087 (16)	−0.010 (12)
C328	0.137 (18)	0.112 (16)	0.18 (2)	−0.051 (14)	0.053 (16)	0.005 (15)
C314	0.120 (16)	0.091 (14)	0.19 (2)	−0.009 (12)	0.018 (15)	0.032 (14)
C329	0.118 (16)	0.091 (14)	0.20 (2)	−0.030 (12)	0.032 (17)	−0.010 (15)
C332	0.090 (13)	0.073 (12)	0.20 (2)	−0.020 (8)	0.031 (14)	−0.025 (13)
C333	0.090 (13)	0.073 (12)	0.20 (2)	−0.020 (8)	0.031 (14)	−0.025 (13)
Zn43	0.102 (4)	0.043 (3)	0.138 (6)	−0.006 (2)	0.030 (4)	−0.003 (3)
I406	0.104 (2)	0.0665 (17)	0.224 (4)	−0.0400 (16)	0.064 (3)	−0.056 (2)
I405	0.194 (4)	0.0684 (16)	0.141 (3)	−0.009 (2)	0.047 (3)	0.0243 (17)
I403	0.116 (5)	0.051 (2)	0.108 (4)	0.007 (3)	−0.004 (4)	0.008 (2)
Zn42	0.058 (13)	0.054 (11)	0.277 (13)	−0.006 (8)	−0.071 (8)	0.027 (7)
I404	0.068 (4)	0.131 (5)	0.101 (4)	−0.004 (3)	0.026 (4)	0.012 (3)
N307	0.099 (11)	0.063 (9)	0.33 (3)	0.026 (8)	0.080 (16)	0.054 (14)
C323	0.17 (3)	0.13 (2)	0.28 (4)	0.003 (19)	0.13 (3)	−0.02 (2)
C322	0.16 (2)	0.13 (2)	0.23 (3)	−0.042 (18)	0.06 (2)	−0.04 (2)
C321	0.106 (13)	0.083 (12)	0.26 (3)	0.007 (10)	0.084 (17)	0.036 (16)
C320	0.094 (14)	0.128 (18)	0.30 (4)	−0.039 (13)	0.083 (19)	−0.05 (2)
C319	0.16 (2)	0.112 (19)	0.33 (5)	−0.005 (18)	0.15 (3)	0.03 (2)
I401	0.216 (8)	0.069 (3)	0.115 (3)	0.030 (4)	−0.046 (4)	−0.020 (2)
Zn41	0.111 (4)	0.041 (4)	0.080 (4)	−0.022 (3)	−0.020 (3)	0.017 (3)
I402	0.186 (4)	0.103 (2)	0.0667 (16)	−0.081 (3)	−0.002 (2)	−0.0038 (18)
I503	0.143 (9)	0.051 (3)	0.228 (13)	−0.007 (5)	−0.147 (11)	0.014 (6)
Zn52	0.058 (13)	0.054 (11)	0.277 (13)	−0.006 (8)	−0.071 (8)	0.027 (7)
I504	0.165 (14)	0.25 (2)	0.27 (2)	−0.025 (13)	−0.136 (16)	0.044 (17)
C433	0.090 (13)	0.073 (12)	0.20 (2)	−0.020 (8)	0.031 (14)	−0.025 (13)
C432	0.090 (13)	0.073 (12)	0.20 (2)	−0.020 (8)	0.031 (14)	−0.025 (13)
O2A	0.080 (17)	0.079 (17)	0.101 (16)	−0.006 (14)	0.024 (13)	−0.012 (13)
O3A	0.067 (15)	0.085 (18)	0.106 (16)	−0.007 (13)	0.034 (12)	0.025 (13)
C7A	0.082 (17)	0.066 (11)	0.094 (15)	0.005 (11)	0.031 (12)	−0.006 (11)
C4A	0.094 (15)	0.065 (11)	0.062 (17)	0.011 (10)	−0.009 (14)	0.006 (12)
C12A	0.066 (16)	0.068 (13)	0.117 (16)	0.007 (12)	0.037 (12)	0.009 (12)
C8A	0.086 (18)	0.069 (14)	0.102 (16)	0.001 (13)	0.032 (13)	−0.016 (11)
C9A	0.08 (2)	0.069 (14)	0.12 (2)	−0.003 (14)	0.049 (16)	−0.018 (13)
C3A	0.093 (15)	0.055 (13)	0.064 (19)	0.009 (12)	−0.018 (15)	0.011 (15)
C14A	0.11 (3)	0.10 (4)	0.10 (2)	−0.03 (3)	0.022 (19)	−0.01 (2)
C11A	0.07 (2)	0.070 (13)	0.14 (2)	0.006 (14)	0.040 (17)	0.004 (15)
C5A	0.118 (17)	0.072 (13)	0.073 (19)	0.021 (13)	0.010 (16)	0.001 (16)
C15A	0.11 (3)	0.13 (4)	0.12 (2)	0.02 (3)	0.05 (2)	0.05 (3)
C2A	0.11 (2)	0.057 (14)	0.055 (18)	0.002 (12)	−0.019 (17)	−0.001 (15)
C6A	0.13 (2)	0.071 (13)	0.07 (2)	0.019 (15)	0.00 (2)	0.000 (17)
C1A	0.14 (2)	0.064 (16)	0.08 (2)	0.014 (14)	0.00 (2)	0.001 (18)
C10A	0.08 (2)	0.075 (17)	0.14 (2)	−0.009 (15)	0.047 (17)	0.000 (14)
O1A	0.10 (2)	0.11 (3)	0.061 (17)	0.04 (2)	−0.004 (15)	0.010 (17)
C13A	0.117 (18)	0.09 (2)	0.10 (3)	0.022 (16)	0.02 (2)	0.00 (2)

Geometric parameters (Å, º)

I301—Zn31	2.530 (9)	C301—H301	0.9500
I302—Zn31	2.499 (9)	C315—H315	0.9500
I303—Zn32	2.572 (11)	C315—C314	1.36 (3)
I304—Zn32	2.487 (14)	C336—H336	0.9500
I306—Zn33	2.523 (10)	C304—H304	0.9500
I305—Zn33	2.521 (12)	C304—C305	1.34 (2)
Zn31—N312^i	2.332 (17)	C305—H305	0.9500
Zn31—N301	2.039 (13)	C328—H328	0.9500
Zn32—N305	2.104 (19)	C328—C329	1.38 (3)
Zn32—N311^ii	2.020 (16)	C314—H314	0.9500
Zn33—N306	2.094 (16)	C329—H329	0.9500
Zn33—N307	2.160 (16)	C329—Zn51^iii	2.48 (6)
N304—C307	1.35 (2)	C332—H332	0.9500
N304—C308	1.313 (19)	C332—C333	1.41 (3)
N303—C307	1.36 (2)	C333—H333	0.9500
N303—C306	1.28 (2)	Zn43—I406	2.504 (8)
N302—C306	1.36 (2)	Zn43—I405	2.540 (9)
N302—C308	1.309 (17)	Zn43—N307	1.883 (12)
N309—C326	1.32 (2)	I403—Zn42	2.565 (19)
N309—C324	1.30 (2)	Zn42—I404	2.49 (2)
N310—C325	1.354 (19)	N307—C323	1.3900
N310—C326	1.33 (2)	N307—C319	1.3900
N306—C318	1.30 (2)	N307—Zn53	1.97 (7)
N306—C314	1.33 (3)	C323—H323	0.9500
N306—Zn43	2.204 (15)	C323—C322	1.3900
N306—Zn53	1.97 (7)	C322—H322	0.9500
N308—C325	1.31 (2)	C322—C321	1.3900
N308—C324	1.35 (3)	C321—C320	1.3900
N305—C311	1.38 (2)	C320—H320	0.9500
N305—C312	1.38 (2)	C320—C319	1.3900
N305—Zn42	2.10 (2)	C319—H319	0.9500
N305—Zn52	1.86 (5)	I401—Zn41	2.569 (9)
N312—C330	1.27 (2)	Zn41—I402	2.525 (9)
N312—C329	1.32 (3)	I503—Zn52	2.46 (5)
N312—Zn41^iii	1.857 (17)	Zn52—I504	2.88 (7)
N312—Zn51^iii	2.04 (6)	C433—H433	0.9500
C325—C327	1.48 (3)	C433—C432	1.41 (4)
C309—C307	1.47 (2)	C432—H432	0.9500
C309—C310	1.39 (2)	O2A—C8A	1.368 (19)
C309—C313	1.40 (2)	O2A—C14A	1.431 (19)
N301—C301	1.28 (3)	O3A—C12A	1.375 (19)
N301—C305	1.29 (3)	O3A—C15A	1.442 (19)
N301—Zn41	2.127 (14)	C7A—C4A	1.494 (19)
N301—Zn51	2.62 (6)	C7A—C12A	1.386 (18)
N311—C336	1.28 (3)	C7A—C8A	1.392 (18)
N311—C332	1.30 (3)	C4A—C3A	1.386 (18)
N311—Zn52^iv	2.20 (6)	C4A—C5A	1.389 (18)
N311—C432	1.30 (3)	C12A—C11A	1.390 (18)
C327—C331	1.34 (3)	C8A—C9A	1.389 (18)
C327—C328	1.37 (2)	C9A—H9A	0.9500
C303—C306	1.45 (2)	C9A—C10A	1.388 (19)
C303—C302	1.34 (3)	C3A—H3A	0.9500
C303—C304	1.44 (3)	C3A—C2A	1.389 (18)
C326—C334	1.49 (2)	C14A—H14A	0.9800
C308—C316	1.50 (2)	C14A—H14B	0.9800
C302—H302	0.9500	C14A—H14C	0.9800
C302—C301	1.48 (3)	C11A—H11A	0.9500
C316—C317	1.39 (2)	C11A—C10A	1.389 (19)
C316—C315	1.35 (2)	C5A—C6A	1.395 (18)
C331—H331	0.9500	C5A—C13A	1.52 (2)
C331—C330	1.42 (3)	C15A—H15A	0.9800
C335—H335	0.9500	C15A—H15B	0.9800
C335—C334	1.35 (3)	C15A—H15C	0.9800
C335—C336	1.45 (2)	C2A—H2A	0.9500
C334—C333	1.41 (3)	C2A—C1A	1.388 (19)
C334—C433	1.40 (3)	C6A—H6A	0.9500
C324—C321	1.57 (3)	C6A—C1A	1.382 (19)
C317—H317	0.9500	C1A—H1A	0.9500
C317—C318	1.39 (2)	C10A—H10A	0.9500
C318—H318	0.9500	O1A—H1AA	0.8400
C311—H311	0.9500	O1A—C13A	1.43 (2)
C311—C310	1.34 (3)	C13A—H13A	0.9900
C310—H310	0.9500	C13A—H13B	0.9900
C312—H312	0.9500	I505—Zn53	2.62 (11)
C312—C313	1.35 (3)	I506—Zn53	2.34 (11)
C313—H313	0.9500	I502—Zn51	2.35 (6)
C330—H330	0.9500	I501—Zn51	2.51 (6)
I302—Zn31—I301	129.3 (3)	C327—C328—C329	120 (2)
N312^i—Zn31—I301	100.6 (6)	C329—C328—H328	119.8
N312^i—Zn31—I302	111.0 (6)	N306—C314—C315	120 (2)
N301—Zn31—I301	111.9 (6)	N306—C314—H314	120.2
N301—Zn31—I302	105.7 (6)	C315—C314—H314	120.2
N301—Zn31—N312^i	91.7 (6)	N312—C329—C328	123 (2)
I304—Zn32—I303	127.8 (5)	N312—C329—H329	118.7
N305—Zn32—I303	101.0 (6)	N312—C329—Zn51^iii	55.1 (17)
N305—Zn32—I304	100.4 (7)	C328—C329—H329	118.7
N311^ii—Zn32—I303	111.2 (7)	C328—C329—Zn51^iii	174 (2)
N311^ii—Zn32—I304	110.7 (8)	N311—C332—H332	119.4
N311^ii—Zn32—N305	100.4 (7)	N311—C332—C333	121 (3)
I305—Zn33—I306	122.6 (4)	C333—C332—H332	119.4
N306—Zn33—I306	107.3 (6)	C334—C333—H333	121.8
N306—Zn33—I305	111.5 (6)	C332—C333—C334	116 (3)
N306—Zn33—N307	96.8 (7)	C332—C333—H333	121.8
N307—Zn33—I306	99.8 (6)	N306—Zn43—I406	113.3 (5)
N307—Zn33—I305	115.4 (6)	N306—Zn43—I405	101.7 (5)
C308—N304—C307	115.1 (12)	I406—Zn43—I405	120.2 (3)
C306—N303—C307	116.5 (14)	N307—Zn43—N306	101.9 (7)
C308—N302—C306	114.3 (14)	N307—Zn43—I406	119.7 (7)
C324—N309—C326	114.3 (17)	N307—Zn43—I405	96.7 (6)
C326—N310—C325	113.1 (16)	N305—Zn42—I403	111.8 (11)
C318—N306—Zn33	130.5 (12)	N305—Zn42—I404	108.3 (10)
C318—N306—C314	121.5 (16)	N311^ii—Zn42—N305	99.4 (13)
C318—N306—Zn43	109.7 (11)	N311^ii—Zn42—I403	103.0 (10)
C318—N306—Zn53	133 (3)	N311^ii—Zn42—I404	107.2 (12)
C314—N306—Zn33	108.0 (14)	I404—Zn42—I403	124.0 (10)
C314—N306—Zn43	128.1 (14)	C323—N307—Zn33	109.5 (10)
C314—N306—Zn53	106 (3)	C323—N307—Zn43	129.5 (10)
C325—N308—C324	112.9 (16)	C323—N307—C319	120.0
C311—N305—Zn32	123.6 (12)	C323—N307—Zn53	105 (3)
C311—N305—Zn42	124.7 (14)	C319—N307—Zn33	129.8 (9)
C311—N305—Zn52	129.1 (19)	C319—N307—Zn43	110.4 (10)
C312—N305—Zn32	121.5 (14)	C319—N307—Zn53	135 (3)
C312—N305—C311	114.8 (16)	N307—C323—H323	120.0
C312—N305—Zn42	120.3 (15)	C322—C323—N307	120.0
C312—N305—Zn52	115 (2)	C322—C323—H323	120.0
C330—N312—Zn31^iii	120.2 (17)	C323—C322—H322	120.0
C330—N312—C329	119.4 (19)	C323—C322—C321	120.0
C330—N312—Zn41^iii	123.8 (18)	C321—C322—H322	120.0
C330—N312—Zn51^iii	147 (2)	C322—C321—C324	124.1 (12)
C329—N312—Zn31^iii	120.1 (14)	C322—C321—C320	120.0
C329—N312—Zn41^iii	116.6 (14)	C320—C321—C324	115.9 (12)
C329—N312—Zn51^iii	92.9 (19)	C321—C320—H320	120.0
Zn41^iii—N312—Zn51^iii	26.9 (15)	C319—C320—C321	120.0
N310—C325—C327	115.0 (17)	C319—C320—H320	120.0
N308—C325—N310	126.5 (17)	N307—C319—H319	120.0
N308—C325—C327	118.2 (14)	C320—C319—N307	120.0
C310—C309—C307	120.1 (15)	C320—C319—H319	120.0
C310—C309—C313	117.4 (17)	N312^i—Zn41—N301	103.9 (7)
C313—C309—C307	122.3 (14)	N312^i—Zn41—I401	111.7 (7)
C301—N301—Zn31	117.6 (11)	N312^i—Zn41—I402	107.7 (7)
C301—N301—C305	113.9 (15)	N301—Zn41—I401	101.1 (6)
C301—N301—Zn41	127.3 (12)	N301—Zn41—I402	105.0 (6)
C301—N301—Zn51	115.8 (17)	I402—Zn41—I401	125.0 (4)
C305—N301—Zn31	127.4 (14)	N305—Zn52—N311^ii	102 (3)
C305—N301—Zn41	118.8 (13)	N305—Zn52—I503	112 (2)
C305—N301—Zn51	127.4 (18)	N305—Zn52—I504	119 (2)
Zn32^iv—N311—Zn52^iv	10.9 (13)	N311^ii—Zn52—I503	103.3 (18)
C336—N311—Zn32^iv	122.0 (17)	N311^ii—Zn52—I504	106 (2)
C336—N311—C332	116 (2)	I503—Zn52—I504	112 (2)
C336—N311—Zn52^iv	115 (2)	C334—C433—H433	122.0
C336—N311—C432	114 (2)	C334—C433—C432	116 (3)
C332—N311—Zn32^iv	115.8 (17)	C432—C433—H433	122.0
C332—N311—Zn52^iv	118 (2)	N311—C432—C433	123 (3)
N304—C307—N303	122.1 (16)	N311—C432—H432	118.4
N304—C307—C309	119.3 (14)	C433—C432—H432	118.4
N303—C307—C309	118.5 (14)	C8A—O2A—C14A	118 (3)
C331—C327—C325	124.6 (14)	C12A—O3A—C15A	116 (2)
C331—C327—C328	115.0 (19)	C12A—C7A—C4A	119.5 (19)
C328—C327—C325	120 (2)	C12A—C7A—C8A	119.2 (19)
C302—C303—C306	122.1 (18)	C8A—C7A—C4A	121.2 (19)
C302—C303—C304	118.0 (15)	C3A—C4A—C7A	119.3 (19)
C304—C303—C306	119.9 (16)	C3A—C4A—C5A	121 (2)
N303—C306—N302	125.1 (14)	C5A—C4A—C7A	119.9 (19)
N303—C306—C303	116.6 (16)	O3A—C12A—C7A	115 (2)
N302—C306—C303	118.0 (17)	O3A—C12A—C11A	125 (3)
N309—C326—N310	126.0 (14)	C7A—C12A—C11A	120 (2)
N309—C326—C334	115.6 (16)	O2A—C8A—C7A	119 (2)
N310—C326—C334	118.0 (17)	O2A—C8A—C9A	119 (3)
N304—C308—C316	116.8 (12)	C9A—C8A—C7A	121 (2)
N302—C308—N304	126.4 (13)	C8A—C9A—H9A	120.4
N302—C308—C316	116.7 (13)	C10A—C9A—C8A	119 (2)
C303—C302—H302	122.2	C10A—C9A—H9A	120.4
C303—C302—C301	116 (2)	C4A—C3A—H3A	120.1
C301—C302—H302	122.2	C4A—C3A—C2A	120 (2)
C317—C316—C308	121.5 (15)	C2A—C3A—H3A	120.1
C315—C316—C308	121.2 (14)	O2A—C14A—H14A	109.5
C315—C316—C317	117.1 (16)	O2A—C14A—H14B	109.5
C327—C331—H331	118.7	O2A—C14A—H14C	109.5
C327—C331—C330	122.7 (16)	H14A—C14A—H14B	109.5
C330—C331—H331	118.7	H14A—C14A—H14C	109.5
C334—C335—H335	120.0	H14B—C14A—H14C	109.5
C334—C335—C336	120 (2)	C12A—C11A—H11A	119.8
C336—C335—H335	120.0	C10A—C11A—C12A	120 (2)
C335—C334—C326	118.4 (18)	C10A—C11A—H11A	119.8
C335—C334—C333	116.4 (19)	C4A—C5A—C6A	119 (2)
C335—C334—C433	106 (2)	C4A—C5A—C13A	121 (3)
C333—C334—C326	124 (2)	C6A—C5A—C13A	120 (3)
C433—C334—C326	121.9 (19)	O3A—C15A—H15A	109.5
N309—C324—N308	127 (2)	O3A—C15A—H15B	109.5
N309—C324—C321	114.4 (18)	O3A—C15A—H15C	109.5
N308—C324—C321	118.4 (15)	H15A—C15A—H15B	109.5
C316—C317—H317	120.2	H15A—C15A—H15C	109.5
C316—C317—C318	119.6 (16)	H15B—C15A—H15C	109.5
C318—C317—H317	120.2	C3A—C2A—H2A	119.9
N306—C318—C317	120.3 (16)	C1A—C2A—C3A	120 (2)
N306—C318—H318	119.8	C1A—C2A—H2A	119.9
C317—C318—H318	119.8	C5A—C6A—H6A	119.5
N305—C311—H311	117.9	C1A—C6A—C5A	121 (2)
C310—C311—N305	124.3 (17)	C1A—C6A—H6A	119.5
C310—C311—H311	117.9	C2A—C1A—H1A	120.3
C309—C310—H310	120.1	C6A—C1A—C2A	119 (2)
C311—C310—C309	119.8 (17)	C6A—C1A—H1A	120.3
C311—C310—H310	120.1	C9A—C10A—C11A	120 (2)
N305—C312—H312	118.3	C9A—C10A—H10A	120.0
C313—C312—N305	123.4 (18)	C11A—C10A—H10A	120.0
C313—C312—H312	118.3	C13A—O1A—H1AA	109.5
C309—C313—H313	119.9	C5A—C13A—H13A	109.6
C312—C313—C309	120.2 (17)	C5A—C13A—H13B	109.6
C312—C313—H313	119.9	O1A—C13A—C5A	110 (4)
N312—C330—C331	120 (2)	O1A—C13A—H13A	109.6
N312—C330—H330	120.0	O1A—C13A—H13B	109.6
C331—C330—H330	120.0	H13A—C13A—H13B	108.1
N301—C301—C302	126.1 (19)	N306—Zn53—N307	108 (5)
N301—C301—H301	116.9	N306—Zn53—I505	118 (4)
C302—C301—H301	116.9	N306—Zn53—I506	113 (4)
C316—C315—H315	119.2	N307—Zn53—I505	101 (3)
C316—C315—C314	121.7 (18)	N307—Zn53—I506	86 (3)
C314—C315—H315	119.2	I506—Zn53—I505	124 (4)
N311—C336—C335	119 (2)	N312^i—Zn51—N301	84 (2)
N311—C336—H336	120.5	N312^i—Zn51—C329^i	32.0 (10)
C335—C336—H336	120.5	N312^i—Zn51—I502	90 (2)
C303—C304—H304	121.4	N312^i—Zn51—I501	130 (3)
C305—C304—C303	117.2 (19)	C329^i—Zn51—N301	93 (2)
C305—C304—H304	121.4	C329^i—Zn51—I501	100 (2)
N301—C305—C304	129 (2)	I502—Zn51—N301	83.5 (19)
N301—C305—H305	115.6	I502—Zn51—I501	129 (3)
C304—C305—H305	115.6	I501—Zn51—N301	125 (2)
C327—C328—H328	119.8
Zn31^iii—N312—C330—C331	−170.9 (13)	C312—N305—C311—C310	−1 (3)
Zn31^iii—N312—C329—C328	172 (2)	C312—N305—Zn52—N311^ii	−69 (3)
Zn31—N301—C301—C302	−164.8 (18)	C312—N305—Zn52—I503	−178 (2)
Zn31—N301—C305—C304	160 (3)	C312—N305—Zn52—I504	48 (3)
Zn32—N305—C311—C310	176.3 (17)	C313—C309—C307—N304	−2 (3)
Zn32—N305—C312—C313	−177 (2)	C313—C309—C307—N303	−178 (2)
Zn32^iv—N311—C336—C335	178.5 (14)	C313—C309—C310—C311	3 (3)
Zn32^iv—N311—C332—C333	−167 (3)	C330—N312—C329—C328	−1 (4)
Zn33—N306—C318—C317	−175.0 (15)	C330—N312—C329—Zn51^iii	171 (2)
Zn33—N306—C314—C315	174 (2)	C301—N301—C305—C304	−8 (5)
Zn33—N307—C323—C322	−171.5 (9)	C315—C316—C317—C318	0 (3)
Zn33—N307—C319—C320	169.6 (11)	C336—N311—C332—C333	40 (4)
N304—C308—C316—C317	13 (3)	C336—N311—C432—C433	−23 (6)
N304—C308—C316—C315	−172 (2)	C336—C335—C334—C326	178.4 (17)
N302—C308—C316—C317	−168.5 (18)	C336—C335—C334—C333	12 (3)
N302—C308—C316—C315	7 (3)	C336—C335—C334—C433	−40 (3)
N309—C326—C334—C335	167.9 (16)	C304—C303—C306—N303	−177 (2)
N309—C326—C334—C333	−27 (3)	C304—C303—C306—N302	−3 (3)
N309—C326—C334—C433	32 (4)	C304—C303—C302—C301	1 (3)
N309—C324—C321—C322	20 (2)	C305—N301—C301—C302	4 (4)
N309—C324—C321—C320	−160.0 (15)	C328—C327—C331—C330	−2 (3)
N310—C325—C327—C331	−3 (3)	C314—N306—C318—C317	3 (3)
N310—C325—C327—C328	175 (2)	C329—N312—C330—C331	3 (3)
N310—C326—C334—C335	−19 (2)	C332—N311—C336—C335	−30 (3)
N310—C326—C334—C333	146 (2)	Zn43—N306—C318—C317	174.5 (16)
N310—C326—C334—C433	−155 (3)	Zn43—N306—C314—C315	−173.9 (17)
N306—Zn43—N307—C323	−38.7 (13)	Zn43—N307—C323—C322	175.2 (11)
N306—Zn43—N307—C319	136.8 (9)	Zn43—N307—C319—C320	−176.0 (9)
N308—C325—C327—C331	170.8 (18)	I406—Zn43—N307—C323	−164.6 (10)
N308—C325—C327—C328	−11 (3)	I406—Zn43—N307—C319	10.9 (10)
N308—C324—C321—C322	−162.9 (15)	I405—Zn43—N307—C323	64.8 (11)
N308—C324—C321—C320	17 (2)	I405—Zn43—N307—C319	−119.7 (8)
N305—C311—C310—C309	−1 (3)	Zn42—N305—C311—C310	173.7 (19)
N305—C312—C313—C309	3 (4)	Zn42—N305—C312—C313	−175 (2)
C325—N310—C326—N309	−2 (2)	N307—C323—C322—C321	0.0
C325—N310—C326—C334	−173.9 (15)	C323—N307—C319—C320	0.0
C325—N308—C324—N309	−1 (3)	C323—C322—C321—C324	−179.7 (15)
C325—N308—C324—C321	−177.5 (15)	C323—C322—C321—C320	0.0
C325—C327—C331—C330	175.6 (17)	C322—C321—C320—C319	0.0
C325—C327—C328—C329	−174 (2)	C321—C320—C319—N307	0.0
N311—C332—C333—C334	−22 (5)	C319—N307—C323—C322	0.0
C307—N304—C308—N302	8 (3)	Zn41^iii—N312—C330—C331	−172.0 (14)
C307—N304—C308—C316	−174.4 (16)	Zn41^iii—N312—C329—C328	174 (2)
C307—N303—C306—N302	4 (3)	Zn41—N301—C301—C302	−175.9 (16)
C307—N303—C306—C303	177.5 (16)	Zn41—N301—C305—C304	172 (3)
C307—C309—C310—C311	178.0 (19)	Zn52—N305—C311—C310	165 (3)
C307—C309—C313—C312	−179 (2)	Zn52—N305—C312—C313	−168 (3)
C327—C331—C330—N312	−1 (3)	Zn52^iv—N311—C336—C335	−172.4 (19)
C327—C328—C329—N312	−2 (4)	C432—N311—C336—C335	29 (4)
C303—C302—C301—N301	−1 (3)	O2A—C8A—C9A—C10A	−179 (3)
C303—C304—C305—N301	8 (5)	O3A—C12A—C11A—C10A	178 (2)
C306—N303—C307—N304	−3 (3)	C7A—C4A—C3A—C2A	177 (3)
C306—N303—C307—C309	173.7 (17)	C7A—C4A—C5A—C6A	−177 (4)
C306—N302—C308—N304	−7 (3)	C7A—C4A—C5A—C13A	−2 (7)
C306—N302—C308—C316	175.1 (16)	C7A—C12A—C11A—C10A	2 (4)
C306—C303—C302—C301	179.4 (18)	C7A—C8A—C9A—C10A	1 (3)
C306—C303—C304—C305	178 (2)	C4A—C7A—C12A—O3A	4 (3)
C326—N309—C324—N308	1 (3)	C4A—C7A—C12A—C11A	−179 (3)
C326—N309—C324—C321	178.2 (15)	C4A—C7A—C8A—O2A	−3 (3)
C326—N310—C325—N308	3 (2)	C4A—C7A—C8A—C9A	178 (2)
C326—N310—C325—C327	176.1 (15)	C4A—C3A—C2A—C1A	0 (7)
C326—C334—C333—C332	−169 (2)	C4A—C5A—C6A—C1A	−1 (8)
C326—C334—C433—C432	−175 (4)	C4A—C5A—C13A—O1A	156 (5)
C308—N304—C307—N303	−2 (3)	C12A—C7A—C4A—C3A	71 (4)
C308—N304—C307—C309	−179.0 (17)	C12A—C7A—C4A—C5A	−113 (4)
C308—N302—C306—N303	1 (3)	C12A—C7A—C8A—O2A	180 (3)
C308—N302—C306—C303	−172.8 (17)	C12A—C7A—C8A—C9A	1 (2)
C308—C316—C317—C318	174.9 (18)	C12A—C11A—C10A—C9A	0 (3)
C308—C316—C315—C314	−176 (2)	C8A—C7A—C4A—C3A	−106 (3)
C302—C303—C306—N303	5 (3)	C8A—C7A—C4A—C5A	70 (4)
C302—C303—C306—N302	179.0 (18)	C8A—C7A—C12A—O3A	−179 (2)
C302—C303—C304—C305	−4 (4)	C8A—C7A—C12A—C11A	−2 (3)
C316—C317—C318—N306	−1 (3)	C8A—C9A—C10A—C11A	−1 (3)
C316—C315—C314—N306	3 (4)	C3A—C4A—C5A—C6A	−1 (7)
C331—C327—C328—C329	4 (4)	C3A—C4A—C5A—C13A	174 (5)
C335—C334—C333—C332	−4 (4)	C3A—C2A—C1A—C6A	−1 (8)
C335—C334—C433—C432	45 (5)	C14A—O2A—C8A—C7A	−176 (4)
C334—C335—C336—N311	4 (3)	C14A—O2A—C8A—C9A	3 (5)
C334—C433—C432—N311	−16 (8)	C5A—C4A—C3A—C2A	1 (7)
C324—N309—C326—N310	0 (3)	C5A—C6A—C1A—C2A	2 (9)
C324—N309—C326—C334	172.3 (16)	C15A—O3A—C12A—C7A	174 (4)
C324—N308—C325—N310	−2 (2)	C15A—O3A—C12A—C11A	−3 (5)
C324—N308—C325—C327	−174.8 (16)	C6A—C5A—C13A—O1A	−29 (8)
C324—C321—C320—C319	179.7 (14)	C13A—C5A—C6A—C1A	−176 (5)
C317—C316—C315—C314	−1 (3)	Zn53—N306—C318—C317	176 (4)
C318—N306—C314—C315	−4 (4)	Zn53—N306—C314—C315	−179 (3)
C311—N305—C312—C313	0 (4)	Zn53—N307—C323—C322	−175 (3)
C311—N305—Zn52—N311^ii	126 (2)	Zn53—N307—C319—C320	174 (4)
C311—N305—Zn52—I503	16 (4)	Zn51^iii—N312—C330—C331	167 (3)
C311—N305—Zn52—I504	−118 (3)	Zn51^iii—N312—C329—C328	−173 (3)
C310—C309—C307—N304	−175.9 (18)	Zn51—N301—C301—C302	166 (2)
C310—C309—C307—N303	7 (3)	Zn51—N301—C305—C304	−167 (3)
C310—C309—C313—C312	−4 (4)

Symmetry codes: (i) x, −y+1, z−1/2; (ii) x+1/2, y−1/2, z; (iii) x, −y+1, z+1/2; (iv) x−1/2, y+1/2, z.

catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexachloro-tri-zinc (25_5_24b)

Crystal data

C36H24I6N12Zn3	F(000) = 5856
Mr = 1582.18	Dx = 1.367 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.4933 (18) Å	Cell parameters from 6122 reflections
b = 15.0280 (4) Å	θ = 2.6–71.7°
c = 30.223 (2) Å	µ = 20.21 mm^−1
β = 101.026 (6)°	T = 100 K
V = 15377.6 (15) Å^3	Block, colourless
Z = 8	0.21 × 0.12 × 0.12 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	13978 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	8739 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.067
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −41→41
Absorption correction: analytical CrysAlisPro 1.171.41.89a (Rigaku Oxford Diffraction, 2020) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −9→18
Tmin = 0.111, Tmax = 0.248	l = −36→36
47934 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.139	H-atom parameters constrained
wR(F^2) = 0.460	w = 1/[σ^2(Fo^2) + (0.3408P)^2 + 0.120P] where P = (Fo^2 + 2Fc^2)/3
S = 1.12	(Δ/σ)max = 0.001
13978 reflections	Δρmax = 1.56 e Å^−3
605 parameters	Δρmin = −1.38 e Å^−3
93 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. No guests or solvent were identified from the electron density map, SQUEEZE has been applied to address the residual electron density within the pore. SQUEEZE analysis indicated one void with a volume of 909 Ang**3 and an electron count of 275. This is equivalent to 5.73 cyclohexane molecules or 2.12 BBA-8,12-OMe molecules.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I304	0.3878 (3)	0.7381 (5)	0.4388 (3)	0.152 (4)	0.4738
I303	0.4819 (3)	0.6454 (7)	0.3649 (4)	0.171 (5)	0.4738
I302	0.1171 (2)	0.7367 (3)	0.0789 (3)	0.330 (7)	0.547
Zn32	0.4232 (2)	0.6199 (5)	0.4027 (3)	0.110 (5)	0.4738
I406	0.37454 (18)	0.1598 (2)	0.80614 (15)	0.129 (2)	0.438 (14)
I405	0.2691 (2)	0.2348 (2)	0.70700 (18)	0.1309 (19)	0.438 (14)
I301	0.1577 (3)	0.5560 (7)	−0.0247 (4)	0.280 (7)	0.547
Zn31	0.1329 (3)	0.5888 (6)	0.0467 (4)	0.233 (9)	0.547
Zn43	0.3302 (2)	0.1393 (5)	0.7308 (2)	0.101 (2)	0.438 (14)
C319	0.4679 (4)	0.4639 (8)	0.4483 (6)	0.087 (3)
H319	0.484606	0.475034	0.427300	0.104*
C325	0.4854 (5)	0.1603 (9)	0.5532 (6)	0.095 (4)
N00C	0.2806 (3)	0.4466 (5)	0.2251 (4)	0.093 (3)
C308	0.3101 (3)	0.4068 (6)	0.2534 (6)	0.095 (5)
C316	0.3355 (4)	0.4567 (6)	0.2890 (6)	0.095 (4)
C321	0.4491 (4)	0.3719 (7)	0.5055 (5)	0.084 (4)
C307	0.2955 (4)	0.2730 (8)	0.2160 (6)	0.100 (5)
C329	0.5675 (4)	0.0350 (10)	0.5133 (8)	0.112 (5)
H329	0.578700	0.029034	0.487127	0.134*
N00I	0.3798 (4)	0.5485 (7)	0.3588 (5)	0.102 (4)
N00J	0.4373 (4)	0.5226 (9)	0.4520 (6)	0.107 (4)
N00K	0.4821 (3)	0.2303 (7)	0.5257 (4)	0.091 (3)
N00L	0.4287 (4)	0.2794 (7)	0.5611 (5)	0.096 (4)
C303	0.2310 (4)	0.4445 (9)	0.1603 (6)	0.098 (5)
C320	0.4736 (4)	0.3898 (7)	0.4754 (6)	0.098 (5)
H320	0.494680	0.350240	0.473327	0.118*
N00O	0.3588 (7)	0.1594 (9)	0.6763 (7)	0.140 (7)
C326	0.4365 (4)	0.2037 (8)	0.5868 (5)	0.085 (4)
N00Q	0.2672 (4)	0.3089 (7)	0.1876 (5)	0.104 (4)
C327	0.5184 (5)	0.0961 (9)	0.5517 (7)	0.103 (5)
N00S	0.3198 (3)	0.3187 (6)	0.2497 (5)	0.104 (4)
C324	0.4532 (4)	0.2873 (9)	0.5339 (6)	0.091 (4)
C315	0.3261 (4)	0.5461 (8)	0.2973 (6)	0.106 (5)
H315	0.303403	0.574524	0.280463	0.127*
N00W	0.1704 (4)	0.5303 (7)	0.1003 (6)	0.122 (6)
N00X	0.5817 (5)	−0.0129 (9)	0.5492 (7)	0.124 (6)
C334	0.4093 (5)	0.1908 (10)	0.6182 (6)	0.103 (5)
C323	0.4150 (7)	0.5096 (11)	0.4825 (8)	0.119 (6)
H323	0.397532	0.554626	0.488970	0.143*
C304	0.2226 (7)	0.5322 (9)	0.1626 (8)	0.171 (12)
H304	0.236746	0.567517	0.186385	0.205*
C317	0.3624 (6)	0.4146 (11)	0.3184 (7)	0.134 (8)
H317	0.364868	0.351780	0.317292	0.161*
C328	0.5356 (5)	0.0960 (9)	0.5129 (7)	0.101 (4)
H328	0.526486	0.134195	0.488016	0.121*
C302	0.2061 (6)	0.3991 (8)	0.1249 (8)	0.160 (11)
H302	0.208435	0.336409	0.122080	0.192*
C309	0.3011 (6)	0.1771 (10)	0.2163 (8)	0.121 (6)
C314	0.3511 (5)	0.5893 (8)	0.3308 (7)	0.117 (6)
H314	0.347814	0.651498	0.334129	0.140*
C310	0.2789 (6)	0.1170 (10)	0.1853 (9)	0.139 (7)
H310	0.259947	0.140433	0.161141	0.167*
C305	0.1943 (7)	0.5694 (13)	0.1312 (11)	0.184 (15)
H305	0.191994	0.632296	0.132376	0.220*
C306	0.2600 (5)	0.3990 (10)	0.1919 (7)	0.110 (5)
C336	0.3906 (10)	0.1136 (15)	0.6816 (10)	0.143 (8)
H336	0.395729	0.070492	0.705001	0.172*
C312	0.3353 (8)	0.0512 (10)	0.2471 (9)	0.148 (7)
H312	0.356992	0.026843	0.267683	0.178*
C301	0.1783 (6)	0.4450 (9)	0.0942 (7)	0.135 (8)
H301	0.164505	0.414983	0.068231	0.162*
C335	0.4185 (7)	0.1264 (15)	0.6528 (9)	0.135 (8)
H335	0.442295	0.093032	0.656762	0.162*
C313	0.3310 (6)	0.1380 (8)	0.2479 (9)	0.141 (7)
H313	0.347984	0.173432	0.269398	0.169*
C333	0.3740 (11)	0.2368 (17)	0.6122 (10)	0.156 (10)
H333	0.367203	0.277271	0.587804	0.188*
C311	0.2834 (8)	0.0285 (12)	0.1887 (11)	0.156 (8)
H311	0.266402	−0.009875	0.168801	0.187*
C322	0.4178 (8)	0.4250 (15)	0.5058 (9)	0.150 (9)
H322	0.397566	0.407049	0.521257	0.180*
C331	0.5331 (6)	0.0397 (19)	0.5888 (9)	0.142 (7)
H331	0.522122	0.036038	0.615276	0.171*
C318	0.3869 (6)	0.4640 (11)	0.3512 (10)	0.168 (12)
H318	0.409411	0.436169	0.368684	0.202*
Zn41	0.12836 (18)	0.5982 (5)	0.0545 (3)	0.125 (3)	0.453
I401	0.1489 (2)	0.5893 (7)	−0.0211 (3)	0.186 (3)	0.453
I402	0.11421 (16)	0.7442 (3)	0.0914 (3)	0.196 (3)	0.453
I404	0.3813 (2)	0.7342 (3)	0.44306 (18)	0.0956 (14)	0.4641
Zn42	0.4197 (2)	0.6229 (4)	0.4058 (3)	0.076 (3)	0.4641
I403	0.47562 (19)	0.6519 (4)	0.36266 (17)	0.0856 (9)	0.4641
I305	0.2503 (4)	0.2179 (4)	0.6798 (7)	0.278 (8)	0.562 (14)
Zn33	0.3144 (4)	0.1454 (4)	0.7143 (6)	0.195 (6)	0.562 (14)
I306	0.3507 (6)	0.1850 (7)	0.7923 (5)	0.297 (8)	0.562 (14)
N21	0.3125 (6)	−0.0056 (7)	0.2208 (8)	0.138 (6)
N1	0.4635 (5)	0.1446 (8)	0.5803 (9)	0.138 (8)
I504	0.3609 (5)	0.7193 (11)	0.4547 (6)	0.080*	0.062
I503	0.4638 (6)	0.6751 (12)	0.3784 (8)	0.080*	0.062
Zn52	0.4037 (11)	0.625 (2)	0.4178 (13)	0.080*	0.062
C330	0.5639 (8)	−0.0071 (17)	0.5822 (11)	0.148 (8)
H330	0.574934	−0.043727	0.607078	0.178*
C332	0.3470 (11)	0.2223 (15)	0.6440 (10)	0.155 (10)
H332	0.323026	0.254646	0.642159	0.185*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I304	0.125 (4)	0.061 (2)	0.234 (8)	−0.0012 (17)	−0.055 (4)	−0.007 (3)
I303	0.163 (7)	0.116 (5)	0.196 (7)	−0.047 (4)	−0.061 (5)	0.015 (4)
I302	0.285 (8)	0.067 (2)	0.484 (11)	−0.005 (3)	−0.315 (8)	0.020 (3)
Zn32	0.114 (7)	0.076 (6)	0.105 (6)	−0.010 (4)	−0.066 (5)	0.016 (4)
I406	0.197 (4)	0.0562 (14)	0.120 (3)	−0.0215 (17)	−0.003 (2)	−0.0104 (12)
I405	0.148 (3)	0.0480 (13)	0.193 (5)	0.0191 (16)	0.023 (3)	0.0258 (14)
I301	0.133 (5)	0.305 (11)	0.344 (10)	−0.059 (5)	−0.102 (5)	0.228 (9)
Zn31	0.194 (9)	0.103 (6)	0.304 (13)	−0.050 (5)	−0.200 (9)	0.081 (6)
Zn43	0.135 (5)	0.037 (3)	0.121 (4)	−0.012 (2)	−0.005 (4)	0.0086 (18)
C319	0.076 (6)	0.059 (6)	0.115 (10)	0.013 (5)	−0.005 (6)	0.010 (6)
C325	0.080 (8)	0.052 (6)	0.134 (12)	0.008 (6)	−0.028 (8)	0.002 (6)
N00C	0.088 (6)	0.026 (3)	0.143 (9)	0.001 (3)	−0.033 (6)	−0.007 (4)
C308	0.073 (6)	0.029 (4)	0.159 (12)	0.001 (4)	−0.037 (7)	−0.001 (5)
C316	0.090 (7)	0.025 (4)	0.148 (12)	−0.004 (4)	−0.032 (7)	−0.005 (5)
C321	0.076 (6)	0.045 (5)	0.115 (10)	−0.001 (5)	−0.024 (7)	0.009 (5)
C307	0.086 (7)	0.038 (5)	0.158 (14)	−0.005 (5)	−0.017 (8)	−0.014 (6)
C329	0.072 (7)	0.070 (7)	0.173 (14)	0.005 (6)	−0.030 (8)	0.010 (8)
N00I	0.097 (7)	0.056 (5)	0.125 (9)	−0.010 (5)	−0.048 (6)	0.012 (5)
N00J	0.091 (7)	0.086 (8)	0.122 (10)	0.006 (6)	−0.032 (7)	0.010 (7)
N00K	0.078 (6)	0.073 (6)	0.102 (8)	0.006 (5)	−0.036 (5)	−0.003 (5)
N00L	0.092 (7)	0.059 (6)	0.118 (9)	0.015 (5)	−0.029 (7)	0.017 (5)
C303	0.081 (7)	0.060 (6)	0.134 (11)	−0.039 (6)	−0.030 (7)	0.026 (6)
C320	0.094 (8)	0.046 (5)	0.122 (11)	0.004 (5)	−0.059 (9)	−0.003 (6)
N00O	0.195 (18)	0.051 (6)	0.185 (17)	−0.027 (9)	0.060 (15)	0.003 (7)
C326	0.087 (7)	0.056 (6)	0.096 (9)	−0.001 (5)	−0.023 (7)	0.006 (5)
N00Q	0.095 (7)	0.042 (5)	0.155 (11)	−0.019 (4)	−0.025 (7)	0.010 (5)
C327	0.096 (8)	0.053 (6)	0.134 (12)	0.001 (6)	−0.044 (8)	0.020 (6)
N00S	0.093 (6)	0.027 (4)	0.166 (11)	−0.004 (4)	−0.043 (7)	0.016 (5)
C324	0.078 (7)	0.063 (7)	0.114 (11)	−0.004 (5)	−0.028 (8)	0.013 (6)
C315	0.094 (8)	0.047 (6)	0.148 (13)	0.009 (5)	−0.046 (8)	−0.024 (6)
N00W	0.091 (7)	0.042 (5)	0.200 (14)	−0.015 (5)	−0.056 (8)	0.026 (6)
N00X	0.100 (9)	0.077 (7)	0.161 (13)	0.003 (6)	−0.062 (9)	−0.001 (8)
C334	0.110 (10)	0.063 (7)	0.121 (12)	−0.003 (7)	−0.019 (9)	−0.001 (6)
C323	0.141 (14)	0.069 (8)	0.154 (16)	0.057 (9)	0.040 (14)	0.021 (9)
C304	0.175 (17)	0.045 (6)	0.22 (2)	−0.049 (8)	−0.140 (16)	0.026 (8)
C317	0.153 (15)	0.065 (8)	0.142 (14)	0.016 (8)	−0.077 (12)	−0.013 (8)
C328	0.101 (9)	0.060 (6)	0.121 (11)	−0.001 (6)	−0.030 (8)	0.006 (6)
C302	0.145 (13)	0.038 (5)	0.23 (2)	−0.009 (6)	−0.141 (15)	0.005 (8)
C309	0.118 (10)	0.053 (7)	0.166 (15)	−0.008 (7)	−0.037 (10)	0.006 (7)
C314	0.099 (9)	0.041 (6)	0.180 (16)	0.012 (5)	−0.052 (10)	0.010 (7)
C310	0.113 (10)	0.049 (7)	0.224 (18)	−0.016 (7)	−0.047 (11)	−0.022 (9)
C305	0.133 (14)	0.072 (9)	0.28 (3)	−0.004 (9)	−0.128 (19)	0.008 (13)
C306	0.104 (9)	0.062 (7)	0.139 (13)	−0.018 (7)	−0.038 (9)	0.008 (7)
C336	0.18 (2)	0.079 (11)	0.16 (2)	0.006 (13)	0.007 (18)	0.018 (11)
C312	0.189 (16)	0.032 (6)	0.200 (17)	0.012 (8)	−0.023 (14)	−0.003 (7)
C301	0.148 (13)	0.049 (6)	0.160 (15)	−0.032 (7)	−0.092 (12)	0.031 (7)
C335	0.122 (13)	0.100 (13)	0.162 (19)	0.006 (10)	−0.027 (14)	0.021 (12)
C313	0.144 (12)	0.027 (5)	0.217 (17)	0.017 (6)	−0.049 (12)	0.000 (7)
C333	0.22 (3)	0.099 (14)	0.15 (2)	0.025 (16)	0.02 (2)	0.026 (13)
C311	0.153 (15)	0.058 (8)	0.25 (2)	−0.049 (10)	0.016 (15)	0.007 (11)
C322	0.159 (17)	0.101 (14)	0.18 (2)	0.079 (14)	0.008 (15)	0.041 (13)
C331	0.110 (11)	0.157 (16)	0.152 (15)	0.028 (11)	0.001 (11)	0.068 (13)
C318	0.117 (12)	0.065 (8)	0.26 (3)	0.001 (8)	−0.120 (16)	0.015 (11)
Zn41	0.072 (3)	0.054 (3)	0.223 (9)	−0.027 (2)	−0.032 (4)	0.045 (3)
I401	0.097 (3)	0.231 (7)	0.205 (5)	−0.010 (3)	−0.036 (3)	0.138 (5)
I402	0.135 (3)	0.0373 (15)	0.370 (9)	−0.0014 (15)	−0.068 (4)	0.011 (2)
I404	0.122 (3)	0.0455 (16)	0.112 (2)	0.0262 (17)	0.004 (2)	0.0054 (13)
Zn42	0.074 (4)	0.029 (3)	0.115 (6)	−0.001 (2)	−0.009 (3)	−0.004 (2)
I403	0.0767 (14)	0.0833 (18)	0.0876 (18)	−0.0172 (11)	−0.0071 (13)	−0.0080 (14)
I305	0.223 (7)	0.074 (2)	0.59 (2)	0.076 (4)	0.220 (11)	0.120 (6)
Zn33	0.235 (11)	0.0279 (19)	0.355 (16)	0.001 (4)	0.142 (11)	0.004 (5)
I306	0.442 (17)	0.128 (5)	0.377 (12)	−0.154 (8)	0.217 (12)	−0.127 (6)
N21	0.157 (12)	0.031 (5)	0.218 (16)	0.020 (6)	0.013 (12)	0.003 (7)
N1	0.081 (8)	0.054 (6)	0.24 (2)	0.005 (6)	−0.055 (11)	0.001 (9)
C330	0.139 (15)	0.122 (14)	0.163 (18)	0.050 (12)	−0.025 (14)	0.040 (13)
C332	0.23 (3)	0.089 (12)	0.15 (2)	0.025 (15)	0.05 (2)	0.026 (12)

Geometric parameters (Å, º)

I304—Zn32	2.518 (10)	C327—C328	1.41 (3)
I303—Zn32	2.538 (11)	C327—C331	1.42 (2)
I302—Zn31	2.528 (12)	C315—H315	0.9500
Zn32—N00I	2.095 (13)	C315—C314	1.36 (2)
Zn32—N00J	2.078 (16)	N00W—C305	1.27 (2)
I406—Zn43	2.507 (7)	N00W—C301	1.33 (2)
I405—Zn43	2.537 (9)	N00W—Zn41	2.072 (13)
I301—Zn31	2.515 (14)	N00X—Zn41^iii	2.040 (17)
Zn31—N00W	2.066 (13)	N00X—C330	1.27 (3)
Zn31—N00X^i	2.12 (2)	C334—C335	1.42 (3)
Zn43—N00O	2.10 (2)	C334—C333	1.38 (4)
Zn43—N21^ii	2.104 (13)	C323—H323	0.9500
C319—H319	0.9500	C323—C322	1.45 (3)
C319—N00J	1.40 (2)	C304—H304	0.9500
C319—C320	1.373 (19)	C304—C305	1.35 (2)
C325—N00K	1.33 (2)	C317—H317	0.9500
C325—C327	1.50 (2)	C317—C318	1.39 (2)
C325—N1	1.24 (3)	C328—H328	0.9500
N00C—C308	1.340 (15)	C302—H302	0.9500
N00C—C306	1.323 (19)	C302—C301	1.384 (17)
C308—C316	1.459 (17)	C309—C310	1.41 (2)
C308—N00S	1.374 (14)	C309—C313	1.39 (2)
C316—C315	1.417 (15)	C314—H314	0.9500
C316—C317	1.32 (2)	C310—H310	0.9500
C321—C320	1.38 (2)	C310—C311	1.34 (3)
C321—C324	1.525 (18)	C305—H305	0.9500
C321—C322	1.34 (2)	C336—H336	0.9500
C307—N00Q	1.29 (2)	C336—C335	1.43 (4)
C307—N00S	1.373 (19)	C312—H312	0.9500
C307—C309	1.454 (18)	C312—C313	1.314 (19)
C329—H329	0.9500	C312—N21	1.32 (3)
C329—N00X	1.31 (3)	C301—H301	0.9500
C329—C328	1.43 (2)	C335—H335	0.9500
N00I—C314	1.323 (16)	C313—H313	0.9500
N00I—C318	1.32 (2)	C333—H333	0.9500
N00I—Zn42	2.102 (12)	C333—C332	1.48 (4)
N00I—Zn52	2.15 (4)	C311—H311	0.9500
N00J—C323	1.33 (2)	C311—N21	1.36 (3)
N00J—Zn42	2.064 (15)	C322—H322	0.9500
N00J—Zn52	2.08 (4)	C331—H331	0.9500
N00K—C324	1.37 (2)	C331—C330	1.32 (4)
N00L—C326	1.376 (16)	C318—H318	0.9500
N00L—C324	1.29 (2)	Zn41—I401	2.523 (11)
C303—C304	1.35 (2)	Zn41—I402	2.551 (10)
C303—C302	1.414 (18)	I404—Zn42	2.528 (8)
C303—C306	1.42 (2)	Zn42—I403	2.564 (9)
C320—H320	0.9500	I305—Zn33	2.504 (12)
N00O—C336	1.28 (3)	Zn33—I306	2.521 (14)
N00O—Zn33	2.09 (2)	Zn33—N21^ii	2.113 (13)
N00O—C332	1.36 (3)	I504—Zn52	2.46 (4)
C326—C334	1.47 (3)	I503—Zn52	2.69 (4)
C326—N1	1.33 (2)	C330—H330	0.9500
N00Q—C306	1.39 (2)	C332—H332	0.9500
I304—Zn32—I303	125.6 (4)	N00J—C323—C322	118.3 (15)
N00I—Zn32—I304	106.8 (6)	C322—C323—H323	120.9
N00I—Zn32—I303	109.1 (6)	C303—C304—H304	120.0
N00J—Zn32—I304	104.6 (6)	C305—C304—C303	120.1 (16)
N00J—Zn32—I303	109.3 (6)	C305—C304—H304	120.0
N00J—Zn32—N00I	97.8 (6)	C316—C317—H317	120.7
I301—Zn31—I302	129.5 (5)	C316—C317—C318	118.7 (14)
N00W—Zn31—I302	102.8 (6)	C318—C317—H317	120.7
N00W—Zn31—I301	108.9 (8)	C329—C328—H328	122.0
N00W—Zn31—N00X^i	98.3 (7)	C327—C328—C329	115.9 (15)
N00X^i—Zn31—I302	102.5 (8)	C327—C328—H328	122.0
N00X^i—Zn31—I301	110.4 (8)	C303—C302—H302	119.7
I406—Zn43—I405	121.2 (4)	C301—C302—C303	120.6 (12)
N00O—Zn43—I406	113.5 (8)	C301—C302—H302	119.7
N00O—Zn43—I405	100.7 (7)	C310—C309—C307	125.0 (16)
N00O—Zn43—N21^ii	101.0 (8)	C313—C309—C307	120.0 (15)
N21^ii—Zn43—I406	110.9 (7)	C313—C309—C310	114.9 (15)
N21^ii—Zn43—I405	107.3 (6)	N00I—C314—C315	123.0 (12)
N00J—C319—H319	120.4	N00I—C314—H314	118.5
C320—C319—H319	120.4	C315—C314—H314	118.5
C320—C319—N00J	119.3 (16)	C309—C310—H310	118.6
N00K—C325—C327	117.6 (18)	C311—C310—C309	123 (2)
N1—C325—N00K	125.0 (15)	C311—C310—H310	118.6
N1—C325—C327	117.4 (14)	N00W—C305—C304	127.6 (17)
C306—N00C—C308	118.4 (10)	N00W—C305—H305	116.2
N00C—C308—C316	121.2 (9)	C304—C305—H305	116.2
N00C—C308—N00S	123.0 (11)	N00C—C306—C303	117.2 (14)
N00S—C308—C316	115.7 (10)	N00C—C306—N00Q	121.3 (13)
C315—C316—C308	119.5 (11)	N00Q—C306—C303	121.5 (14)
C317—C316—C308	119.8 (10)	N00O—C336—H336	119.6
C317—C316—C315	119.4 (13)	N00O—C336—C335	121 (2)
C320—C321—C324	122.0 (13)	C335—C336—H336	119.6
C322—C321—C320	118.8 (15)	C313—C312—H312	116.7
C322—C321—C324	118.7 (18)	C313—C312—N21	127 (2)
N00Q—C307—N00S	124.2 (11)	N21—C312—H312	116.7
N00Q—C307—C309	120.1 (13)	N00W—C301—C302	121.4 (15)
N00S—C307—C309	115.5 (13)	N00W—C301—H301	119.3
N00X—C329—H329	119.2	C302—C301—H301	119.3
N00X—C329—C328	122 (2)	C334—C335—C336	117 (2)
C328—C329—H329	119.2	C334—C335—H335	121.3
C314—N00I—Zn32	121.6 (9)	C336—C335—H335	121.3
C314—N00I—Zn42	120.0 (9)	C309—C313—H313	120.8
C314—N00I—Zn52	114.0 (15)	C312—C313—C309	118.5 (19)
C318—N00I—Zn32	118.0 (9)	C312—C313—H313	120.8
C318—N00I—C314	118.3 (13)	C334—C333—H333	120.3
C318—N00I—Zn42	120.7 (9)	C334—C333—C332	119 (2)
C318—N00I—Zn52	127.0 (15)	C332—C333—H333	120.3
C319—N00J—Zn32	117.7 (14)	C310—C311—H311	120.4
C319—N00J—Zn42	122.5 (14)	C310—C311—N21	119 (2)
C319—N00J—Zn52	141.9 (17)	N21—C311—H311	120.4
C323—N00J—Zn32	121.0 (11)	C321—C322—C323	120 (2)
C323—N00J—C319	120.8 (13)	C321—C322—H322	120.1
C323—N00J—Zn42	116.3 (11)	C323—C322—H322	120.1
C323—N00J—Zn52	96.4 (14)	C327—C331—H331	124.0
C325—N00K—C324	110.9 (15)	C330—C331—C327	112 (2)
C324—N00L—C326	110.8 (12)	C330—C331—H331	124.0
C304—C303—C302	113.8 (12)	N00I—C318—C317	122.0 (13)
C304—C303—C306	124.3 (14)	N00I—C318—H318	119.0
C302—C303—C306	121.7 (13)	C317—C318—H318	119.0
C319—C320—C321	120.9 (13)	N00W—Zn41—I401	107.2 (7)
C319—C320—H320	119.5	N00W—Zn41—I402	107.4 (6)
C321—C320—H320	119.5	N00X^i—Zn41—N00W	100.7 (5)
C336—N00O—Zn43	110.2 (18)	N00X^i—Zn41—I401	104.5 (8)
C336—N00O—Zn33	125.3 (18)	N00X^i—Zn41—I402	111.2 (7)
C336—N00O—C332	127 (2)	I401—Zn41—I402	123.5 (4)
C332—N00O—Zn43	122.7 (19)	N00I—Zn42—I404	108.8 (5)
C332—N00O—Zn33	108 (2)	N00I—Zn42—I403	101.8 (6)
N00L—C326—C334	113.3 (13)	N00J—Zn42—N00I	98.0 (5)
N1—C326—N00L	122.4 (18)	N00J—Zn42—I404	107.1 (6)
N1—C326—C334	124.0 (15)	N00J—Zn42—I403	108.4 (6)
C307—N00Q—C306	118.2 (12)	I404—Zn42—I403	128.6 (3)
C328—C327—C325	117.8 (13)	N00O—Zn33—I305	114.1 (9)
C328—C327—C331	120.8 (17)	N00O—Zn33—I306	101.9 (8)
C331—C327—C325	121 (2)	N00O—Zn33—N21^ii	100.9 (8)
C307—N00S—C308	114.8 (10)	I305—Zn33—I306	121.8 (5)
N00K—C324—C321	114.2 (16)	N21^ii—Zn33—I305	115.5 (7)
N00L—C324—C321	115.6 (13)	N21^ii—Zn33—I306	99.6 (8)
N00L—C324—N00K	130.2 (13)	C312—N21—Zn43^iv	114.1 (14)
C316—C315—H315	121.6	C312—N21—C311	117.5 (14)
C314—C315—C316	116.7 (12)	C312—N21—Zn33^iv	132.4 (15)
C314—C315—H315	121.6	C311—N21—Zn43^iv	128.2 (14)
C305—N00W—Zn31	127.1 (11)	C311—N21—Zn33^iv	109.9 (15)
C305—N00W—C301	115.4 (13)	C325—N1—C326	120.3 (17)
C305—N00W—Zn41	122.6 (11)	N00I—Zn52—I504	121.1 (18)
C301—N00W—Zn31	114.5 (12)	N00I—Zn52—I503	89.3 (14)
C301—N00W—Zn41	121.1 (11)	N00J—Zn52—N00I	96.2 (16)
C329—N00X—Zn31^iii	116.6 (18)	N00J—Zn52—I504	121.8 (18)
C329—N00X—Zn41^iii	124.9 (19)	N00J—Zn52—I503	91.3 (15)
C330—N00X—Zn31^iii	126.6 (14)	I504—Zn52—I503	128.1 (16)
C330—N00X—C329	116.8 (18)	N00X—C330—C331	133 (2)
C330—N00X—Zn41^iii	118.2 (14)	N00X—C330—H330	113.7
C335—C334—C326	119.2 (17)	C331—C330—H330	113.7
C333—C334—C326	120.3 (18)	N00O—C332—C333	115 (3)
C333—C334—C335	120 (2)	N00O—C332—H332	122.4
N00J—C323—H323	120.9	C333—C332—H332	122.4
Zn32—N00I—C314—C315	169.9 (17)	C324—C321—C322—C323	174.4 (19)
Zn32—N00I—C318—C317	−172 (2)	C324—N00L—C326—C334	−179.5 (12)
Zn32—N00J—C323—C322	159.6 (18)	C324—N00L—C326—N1	−5.8 (19)
Zn31—N00W—C305—C304	−170 (3)	C315—C316—C317—C318	−15 (4)
Zn31—N00W—C301—C302	173 (2)	N00X—C329—C328—C327	−5 (2)
Zn31^iii—N00X—C330—C331	177 (3)	C334—C326—N1—C325	180.0 (15)
Zn43—N00O—C336—C335	−170 (2)	C334—C333—C332—N00O	−3 (4)
Zn43—N00O—C332—C333	170.9 (19)	C304—C303—C302—C301	5 (4)
C319—N00J—C323—C322	−12 (3)	C304—C303—C306—N00C	−2 (3)
C325—N00K—C324—C321	176.7 (11)	C304—C303—C306—N00Q	−180 (2)
C325—N00K—C324—N00L	−5 (2)	C317—C316—C315—C314	13 (3)
C325—C327—C328—C329	178.6 (13)	C328—C329—N00X—Zn31^iii	−173.3 (11)
C325—C327—C331—C330	−175 (2)	C328—C329—N00X—Zn41^iii	−177.5 (11)
N00C—C308—C316—C315	8 (3)	C328—C329—N00X—C330	5 (3)
N00C—C308—C316—C317	175 (2)	C328—C327—C331—C330	2 (3)
N00C—C308—N00S—C307	−3 (3)	C302—C303—C304—C305	−4 (4)
C308—N00C—C306—C303	−175.0 (17)	C302—C303—C306—N00C	−177 (2)
C308—N00C—C306—N00Q	3 (3)	C302—C303—C306—N00Q	5 (3)
C308—C316—C315—C314	−179.5 (18)	C309—C307—N00Q—C306	172.5 (19)
C308—C316—C317—C318	178 (2)	C309—C307—N00S—C308	−170.3 (17)
C316—C308—N00S—C307	180.0 (16)	C309—C310—C311—N21	−5 (4)
C316—C315—C314—N00I	−9 (3)	C314—N00I—C318—C317	−8 (4)
C316—C317—C318—N00I	12 (5)	C310—C309—C313—C312	−2 (4)
C307—N00Q—C306—N00C	−2 (3)	C310—C311—N21—Zn43^iv	−174 (2)
C307—N00Q—C306—C303	176.0 (18)	C310—C311—N21—C312	0 (4)
C307—C309—C310—C311	−176 (3)	C310—C311—N21—Zn33^iv	−176 (2)
C307—C309—C313—C312	−180 (3)	C305—N00W—C301—C302	11 (4)
C329—N00X—C330—C331	−1 (5)	C306—N00C—C308—C316	176.3 (17)
N00J—C319—C320—C321	1.1 (19)	C306—N00C—C308—N00S	0 (3)
N00J—C323—C322—C321	18 (4)	C306—C303—C304—C305	−179 (3)
N00K—C325—C327—C328	−20.0 (19)	C306—C303—C302—C301	−179 (2)
N00K—C325—C327—C331	157.3 (18)	C336—N00O—C332—C333	1 (4)
N00K—C325—N1—C326	−7 (3)	C301—N00W—C305—C304	−11 (5)
N00L—C326—C334—C335	−167.3 (16)	C335—C334—C333—C332	4 (4)
N00L—C326—C334—C333	17 (2)	C313—C309—C310—C311	7 (4)
N00L—C326—N1—C325	7 (2)	C313—C312—N21—Zn43^iv	180 (3)
C303—C304—C305—N00W	8 (6)	C313—C312—N21—C311	5 (5)
C303—C302—C301—N00W	−9 (4)	C313—C312—N21—Zn33^iv	180 (2)
C320—C319—N00J—Zn32	−168.7 (10)	C333—C334—C335—C336	−2 (3)
C320—C319—N00J—C323	3 (2)	C322—C321—C320—C319	5 (2)
C320—C319—N00J—Zn42	−168.8 (10)	C322—C321—C324—N00K	169.7 (18)
C320—C319—N00J—Zn52	−162 (2)	C322—C321—C324—N00L	−9 (2)
C320—C321—C324—N00K	−2.0 (17)	C331—C327—C328—C329	1 (2)
C320—C321—C324—N00L	179.2 (12)	C318—N00I—C314—C315	7 (3)
C320—C321—C322—C323	−14 (3)	Zn41—N00W—C305—C304	180 (3)
N00O—C336—C335—C334	−1 (4)	Zn41—N00W—C301—C302	−179.4 (19)
C326—N00L—C324—C321	−176.4 (11)	Zn41^iii—N00X—C330—C331	−179 (3)
C326—N00L—C324—N00K	5 (2)	Zn42—N00I—C314—C315	175.1 (17)
C326—C334—C335—C336	−177.8 (18)	Zn42—N00I—C318—C317	−176 (2)
C326—C334—C333—C332	180 (2)	Zn42—N00J—C323—C322	160.4 (19)
N00Q—C307—N00S—C308	4 (3)	Zn33—N00O—C336—C335	177.9 (18)
N00Q—C307—C309—C310	4 (4)	Zn33—N00O—C332—C333	−176 (2)
N00Q—C307—C309—C313	−178 (2)	N21—C312—C313—C309	−4 (5)
C327—C325—N00K—C324	−174.2 (12)	N1—C325—N00K—C324	5 (2)
C327—C325—N1—C326	172.6 (13)	N1—C325—C327—C328	160.6 (15)
C327—C331—C330—N00X	−2 (5)	N1—C325—C327—C331	−22 (3)
N00S—C308—C316—C315	−175.4 (17)	N1—C326—C334—C335	19 (2)
N00S—C308—C316—C317	−8 (3)	N1—C326—C334—C333	−157 (2)
N00S—C307—N00Q—C306	−2 (3)	Zn52—N00I—C314—C315	−164 (2)
N00S—C307—C309—C310	179 (2)	Zn52—N00I—C318—C317	162 (3)
N00S—C307—C309—C313	−3 (3)	Zn52—N00J—C323—C322	159 (2)
C324—C321—C320—C319	176.2 (12)	C332—N00O—C336—C335	1 (4)

Symmetry codes: (i) x−1/2, −y+1/2, z−1/2; (ii) x, −y, z+1/2; (iii) x+1/2, −y+1/2, z+1/2; (iv) x, −y, z−1/2.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (25_5_24c)

Crystal data

C72H48I12N24Zn6·0.585(C15H16O3)·0.334(C6H12)	F(000) = 6224
Mr = 3335.25	Dx = 1.399 Mg m^−3
Monoclinic, P2/n	Cu Kα radiation, λ = 1.54184 Å
a = 31.387 (2) Å	Cell parameters from 11935 reflections
b = 15.0302 (5) Å	θ = 3.2–70.3°
c = 34.2836 (16) Å	µ = 19.67 mm^−1
β = 101.803 (5)°	T = 100 K
V = 15831.6 (14) Å^3	Block, light yellow
Z = 4	0.2 × 0.14 × 0.07 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	28696 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	21128 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.068
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.1°
profile data from ω–scans	h = −37→37
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −18→17
Tmin = 0.133, Tmax = 0.350	l = −41→39
97471 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.178	H-atom parameters constrained
wR(F^2) = 0.432	w = 1/[σ^2(Fo^2) + (0.130P)^2 + 681.4611P] where P = (Fo^2 + 2Fc^2)/3
S = 1.06	(Δ/σ)max = 0.003
28696 reflections	Δρmax = 1.89 e Å^−3
1379 parameters	Δρmin = −1.68 e Å^−3
585 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I406	0.1345 (6)	0.8945 (12)	0.2686 (4)	0.131 (7)	0.2399
I311	0.4116 (4)	0.4920 (6)	0.1473 (3)	0.094 (3)	0.548
I405	0.0663 (6)	0.9907 (9)	0.3622 (5)	0.182 (12)	0.2399
I410	0.6425 (3)	−0.3912 (7)	0.2742 (4)	0.087 (3)	0.4295
I303	0.3949 (3)	0.9936 (5)	0.6335 (2)	0.097 (2)	0.5006
I302	0.29481 (16)	0.5197 (4)	0.98966 (17)	0.0771 (10)	0.5874
I409	0.5684 (2)	−0.4950 (4)	0.36580 (18)	0.0784 (18)	0.4295
I301	0.19821 (14)	0.5991 (3)	0.88266 (17)	0.0870 (13)	0.5874
I407	0.3271 (2)	0.0373 (6)	0.5073 (2)	0.090 (3)	0.3862
I312	0.5164 (2)	0.3360 (8)	0.1033 (3)	0.0955 (19)	0.548
I304	0.50279 (18)	0.8341 (7)	0.59794 (19)	0.108 (3)	0.5006
I408	0.2186 (5)	0.0530 (8)	0.4041 (6)	0.272 (11)	0.3862
Zn43	0.0964 (7)	0.8704 (13)	0.3257 (5)	0.0728 (15)	0.2399
Zn45	0.6006 (5)	−0.3761 (8)	0.3274 (4)	0.094 (6)	0.4295
Zn36	0.4463 (3)	0.3501 (6)	0.1298 (2)	0.071 (4)	0.548
Zn32	0.4300 (2)	0.8486 (6)	0.6199 (2)	0.062 (3)	0.5006
Zn31	0.2700 (3)	0.6147 (12)	0.9257 (3)	0.089 (2)	0.5874
Zn44	0.2939 (4)	0.0984 (8)	0.4394 (4)	0.0907 (14)	0.3862
N308	0.3104 (6)	0.5588 (9)	0.4786 (5)	0.058 (5)
N309	0.2694 (5)	0.6909 (10)	0.4616 (5)	0.059 (5)
N321	0.3146 (6)	0.0633 (9)	−0.0079 (6)	0.072 (6)
N312	0.2882 (7)	0.2376 (13)	0.4397 (6)	0.081 (6)
N324	0.1469 (7)	0.3053 (12)	−0.1250 (6)	0.089 (7)
N310	0.2485 (6)	0.5608 (10)	0.4237 (5)	0.065 (5)
C308	0.4362 (8)	0.5916 (14)	0.7648 (6)	0.060 (5)
N311	0.1374 (7)	0.7878 (10)	0.3634 (6)	0.081 (6)
C307	0.4592 (7)	0.4654 (12)	0.7990 (6)	0.054 (5)
N317	0.5578 (8)	−0.2719 (13)	0.3194 (7)	0.082 (6)
N314	0.4257 (7)	0.1016 (13)	0.2969 (6)	0.072 (5)
N304	0.4635 (6)	0.5251 (12)	0.7695 (5)	0.066 (5)
N305	0.5426 (6)	0.2391 (13)	0.8129 (5)	0.063 (5)
N318	0.4548 (8)	0.2670 (15)	0.1769 (6)	0.090 (7)
N316	0.4824 (6)	0.0167 (9)	0.2764 (5)	0.067 (5)
N307	0.3887 (7)	0.7826 (11)	0.5752 (5)	0.070 (6)
N313	0.3339 (10)	0.0790 (13)	0.4030 (6)	0.091 (8)
N323	0.2795 (8)	−0.2495 (13)	−0.0581 (7)	0.084 (6)
N320	0.2793 (7)	0.2038 (12)	−0.0228 (6)	0.086 (7)
N303	0.4321 (6)	0.4774 (12)	0.8238 (5)	0.064 (5)
N302	0.4081 (7)	0.6070 (13)	0.7879 (6)	0.078 (6)
C352	0.4558 (9)	0.1509 (13)	0.2423 (7)	0.071 (6)
C343	0.4782 (8)	−0.0417 (12)	0.3061 (7)	0.064 (5)
N306	0.4358 (8)	0.7653 (14)	0.6678 (5)	0.078 (6)
C334	0.2846 (8)	0.4218 (12)	0.4448 (6)	0.058 (5)
C325	0.2458 (6)	0.6476 (12)	0.4324 (6)	0.054 (5)
C326	0.2800 (7)	0.5208 (12)	0.4489 (6)	0.064 (6)
C344	0.4555 (8)	0.0859 (12)	0.2739 (7)	0.065 (6)
N322	0.2546 (7)	0.0755 (11)	−0.0635 (6)	0.079 (6)
C321	0.3325 (8)	0.6926 (14)	0.5161 (6)	0.072 (7)
N319	0.4008 (7)	0.2820 (14)	0.0900 (7)	0.093 (7)
C328	0.1994 (8)	0.7796 (14)	0.4160 (7)	0.081 (7)
H328	0.216635	0.809069	0.438252	0.097*
C324	0.3029 (7)	0.6474 (14)	0.4838 (6)	0.061 (6)
N315	0.4518 (8)	−0.0328 (12)	0.3314 (6)	0.083 (6)
C306	0.4082 (8)	0.5475 (15)	0.8171 (6)	0.067 (6)
C316	0.4353 (8)	0.6544 (13)	0.7336 (6)	0.060 (5)
C309	0.4871 (8)	0.3830 (14)	0.8036 (6)	0.062 (6)
C336	0.2652 (9)	0.2858 (16)	0.4118 (6)	0.079 (8)
H336	0.250077	0.256891	0.388389	0.095*
N301	0.3192 (9)	0.5955 (13)	0.8969 (7)	0.089 (7)
C345	0.5046 (9)	−0.1223 (15)	0.3080 (8)	0.079 (7)
C362	0.2519 (8)	0.1653 (12)	−0.0526 (8)	0.077 (7)
C327	0.2095 (8)	0.6961 (13)	0.4096 (7)	0.073 (6)
C371	0.1887 (10)	0.1682 (14)	−0.1094 (8)	0.120 (12)
H371	0.193799	0.109021	−0.117002	0.144*
C313	0.5114 (9)	0.3606 (15)	0.7778 (7)	0.077 (7)
H313	0.509570	0.399164	0.755553	0.092*
C303	0.3756 (9)	0.5636 (17)	0.8434 (8)	0.078 (7)
C332	0.3100 (9)	0.2800 (13)	0.4710 (8)	0.078 (7)
H332	0.326653	0.246537	0.492245	0.093*
C312	0.5378 (8)	0.2918 (15)	0.7788 (7)	0.072 (7)
H312	0.552515	0.279194	0.757777	0.086*
C348	0.5591 (10)	−0.2187 (15)	0.2905 (8)	0.089 (8)
H348	0.579471	−0.229573	0.274031	0.107*
C360	0.3070 (8)	0.1503 (16)	−0.0012 (7)	0.072 (6)
C329	0.1657 (8)	0.8275 (16)	0.3929 (8)	0.086 (7)
H329	0.162509	0.888991	0.398089	0.104*
C333	0.3094 (9)	0.3715 (12)	0.4739 (6)	0.069 (7)
H333	0.326580	0.399835	0.496550	0.082*
C353	0.4832 (10)	0.1371 (18)	0.2167 (7)	0.089 (8)
H353	0.502766	0.088127	0.220469	0.106*
C335	0.2615 (9)	0.3750 (15)	0.4144 (8)	0.081 (8)
H335	0.241926	0.405564	0.394042	0.097*
C361	0.2840 (9)	0.0302 (13)	−0.0372 (8)	0.079 (8)
C357	0.3382 (9)	0.1943 (13)	0.0290 (8)	0.091 (8)
C363	0.2858 (7)	−0.0673 (13)	−0.0454 (7)	0.059 (5)
C323	0.3970 (8)	0.6973 (13)	0.5669 (8)	0.075 (7)
H323	0.421849	0.667868	0.581894	0.090*
C349	0.5312 (9)	−0.1443 (17)	0.2825 (7)	0.087 (8)
H349	0.530909	−0.109498	0.259320	0.104*
C319	0.3508 (8)	0.8178 (16)	0.5559 (6)	0.074 (7)
H319	0.342824	0.874003	0.564806	0.089*
C366	0.2575 (11)	−0.1925 (15)	−0.0842 (8)	0.093 (9)
H366	0.240434	−0.213721	−0.108514	0.112*
C358	0.3358 (10)	0.2854 (15)	0.0405 (8)	0.090 (8)
H358	0.312282	0.320922	0.027145	0.109*
C342	0.4266 (9)	0.0363 (17)	0.3244 (8)	0.076 (6)
C331	0.1801 (9)	0.6542 (14)	0.3788 (8)	0.087 (7)
H331	0.184736	0.593610	0.372995	0.104*
O3A	0.2554 (10)	0.4732 (19)	0.1858 (7)	0.085 (8)	0.5846
O2A	0.3937 (9)	0.4264 (18)	0.2689 (9)	0.084 (8)	0.5846
C370	0.2159 (7)	0.2133 (13)	−0.0772 (6)	0.067 (6)
C317	0.4684 (10)	0.6568 (17)	0.7151 (8)	0.090 (8)
H317	0.493476	0.621835	0.724916	0.108*
C369	0.2116 (8)	0.3013 (15)	−0.0701 (8)	0.078 (7)
H369	0.230431	0.331618	−0.049071	0.093*
C372	0.1545 (11)	0.2186 (17)	−0.1284 (9)	0.133 (14)
H372	0.132814	0.187258	−0.146666	0.159*
C322	0.3689 (8)	0.6523 (13)	0.5361 (8)	0.087 (9)
H322	0.375534	0.593286	0.529312	0.105*
C320	0.3236 (10)	0.7808 (17)	0.5252 (6)	0.087 (9)
H320	0.299406	0.812401	0.510321	0.104*
C355	0.4022 (9)	0.1952 (16)	0.0821 (9)	0.098 (9)
H355	0.424324	0.161313	0.098578	0.118*
C359	0.3668 (9)	0.3231 (16)	0.0704 (9)	0.094 (8)
H359	0.362887	0.383521	0.076981	0.113*
C354	0.4823 (11)	0.1985 (17)	0.1836 (8)	0.092 (8)
H354	0.501946	0.189336	0.166184	0.110*
C341	0.3331 (12)	0.120 (2)	0.3730 (14)	0.127 (14)
H341	0.312324	0.167072	0.368206	0.153*
C330	0.1441 (10)	0.6985 (15)	0.3563 (9)	0.102 (8)
H330	0.124254	0.667524	0.336293	0.122*
C350	0.4321 (10)	0.2821 (18)	0.2066 (9)	0.099 (9)
H350	0.414699	0.334201	0.205110	0.118*
C365	0.3056 (8)	−0.2212 (16)	−0.0276 (11)	0.094 (10)
H365	0.322994	−0.262065	−0.010128	0.112*
C368	0.1771 (8)	0.3450 (15)	−0.0964 (7)	0.080 (8)
H368	0.174928	0.407601	−0.093595	0.097*
C356	0.3753 (9)	0.1518 (13)	0.0532 (8)	0.092 (8)
H356	0.380827	0.091005	0.048502	0.111*
C364	0.3091 (11)	−0.1253 (17)	−0.0189 (8)	0.099 (10)
H364	0.327375	−0.104202	0.004922	0.119*
C339	0.3951 (10)	0.0537 (17)	0.3528 (10)	0.093 (9)
C351	0.4334 (10)	0.2250 (18)	0.2385 (9)	0.093 (8)
H351	0.417458	0.240160	0.258278	0.112*
C311	0.5189 (11)	0.2542 (14)	0.8374 (8)	0.090 (9)
H311	0.521132	0.215328	0.859594	0.108*
C367	0.2593 (11)	−0.1055 (14)	−0.0763 (9)	0.109 (12)
H367	0.240242	−0.067787	−0.094136	0.131*
C310	0.4891 (9)	0.3258 (16)	0.8341 (8)	0.082 (7)
H310	0.470894	0.333170	0.852895	0.098*
C340	0.3596 (10)	0.109 (2)	0.3424 (11)	0.106 (11)
H340	0.352733	0.138481	0.317278	0.127*
C338	0.3998 (14)	0.016 (2)	0.3887 (10)	0.116 (12)
H338	0.423596	−0.023485	0.396809	0.140*
C337	0.3736 (11)	0.030 (2)	0.4138 (9)	0.093 (9)
H337	0.381490	0.006543	0.440055	0.111*
C301	0.3539 (13)	0.542 (2)	0.9068 (9)	0.114 (13)
H301	0.360293	0.518015	0.932994	0.137*
C302	0.3811 (12)	0.520 (2)	0.8806 (9)	0.110 (11)
H302	0.403122	0.476654	0.887850	0.132*
C305	0.3126 (18)	0.637 (4)	0.8600 (14)	0.100 (16)	0.73 (8)
H305	0.288236	0.674844	0.851886	0.120*	0.73 (8)
C347	0.5312 (11)	−0.2575 (17)	0.3428 (10)	0.097 (8)
H347	0.531178	−0.297734	0.364140	0.117*
C318	0.4670 (12)	0.7139 (19)	0.6789 (9)	0.102 (8)
H318	0.489816	0.710795	0.664544	0.122*
C3A	0.3263 (9)	0.3287 (13)	0.1787 (7)	0.051 (8)	0.5846
H3A	0.330784	0.371456	0.159563	0.062*	0.5846
C8A	0.3615 (10)	0.4855 (17)	0.2523 (10)	0.075 (9)	0.5846
C304	0.3413 (18)	0.622 (4)	0.8348 (14)	0.100 (16)	0.73 (8)
H304	0.337012	0.654224	0.810395	0.120*	0.73 (8)
C346	0.5021 (11)	−0.1848 (18)	0.3382 (10)	0.100 (8)
H346	0.481511	−0.178266	0.354787	0.120*
C1A	0.3179 (10)	0.1763 (16)	0.1977 (8)	0.064 (9)	0.5846
H1A	0.316604	0.114732	0.191252	0.077*	0.5846
C7A	0.3248 (8)	0.4523 (17)	0.2274 (7)	0.070 (8)	0.5846
C6A	0.3138 (12)	0.2035 (17)	0.2353 (8)	0.081 (11)	0.5846
H6A	0.310402	0.160527	0.254755	0.098*	0.5846
C5A	0.3147 (13)	0.2937 (16)	0.2449 (8)	0.076 (9)	0.5846
O1A	0.2919 (9)	0.2626 (18)	0.3068 (7)	0.096 (10)	0.5846
H1AA	0.268790	0.246110	0.291665	0.144*	0.5846
C12A	0.2925 (10)	0.5094 (17)	0.2094 (10)	0.080 (9)	0.5846
C4A	0.3220 (12)	0.3550 (14)	0.2165 (7)	0.052 (7)	0.5846
C2A	0.3239 (11)	0.2384 (15)	0.1694 (8)	0.058 (8)	0.5846
H2A	0.326353	0.219222	0.143553	0.070*	0.5846
C9A	0.3654 (11)	0.5760 (18)	0.2589 (11)	0.086 (11)	0.5846
H9A	0.391266	0.599599	0.274837	0.103*	0.5846
C10A	0.3318 (11)	0.632 (2)	0.2426 (11)	0.086 (11)	0.5846
H10A	0.333908	0.693597	0.248691	0.103*	0.5846
C315	0.4031 (13)	0.706 (2)	0.7178 (10)	0.127 (10)
H315	0.377618	0.708660	0.728595	0.152*
C13A	0.3138 (15)	0.325 (2)	0.2866 (9)	0.094 (13)	0.5846
H13A	0.344059	0.332418	0.301631	0.113*	0.5846
H13B	0.298992	0.382848	0.285308	0.113*	0.5846
C11A	0.2953 (12)	0.5995 (18)	0.2175 (11)	0.092 (11)	0.5846
H11A	0.272374	0.638445	0.205914	0.110*	0.5846
C15A	0.2194 (14)	0.531 (3)	0.1739 (15)	0.102 (16)	0.5846
H15A	0.209839	0.553700	0.197537	0.153*	0.5846
H15B	0.195476	0.498869	0.156960	0.153*	0.5846
H15C	0.228063	0.581399	0.158940	0.153*	0.5846
I411	0.4233 (5)	0.4925 (7)	0.1411 (4)	0.125 (7)	0.4106
Zn46	0.4518 (4)	0.3408 (8)	0.1277 (4)	0.113 (9)	0.4106
I412	0.5182 (5)	0.3119 (13)	0.0983 (5)	0.185 (10)	0.4106
I403	0.4038 (6)	0.9875 (6)	0.6362 (4)	0.255 (11)	0.4781
Zn42	0.4357 (5)	0.8428 (7)	0.6190 (3)	0.144 (10)	0.4781
I404	0.5084 (5)	0.8285 (12)	0.5982 (4)	0.265 (11)	0.4781
Zn33	0.08694 (15)	0.8569 (3)	0.32665 (17)	0.0728 (15)	0.7601
I305	0.06028 (15)	0.9689 (3)	0.37028 (16)	0.1109 (16)	0.7601
I306	0.11754 (11)	0.8933 (4)	0.26556 (16)	0.1029 (15)	0.7601
I309	0.5621 (3)	−0.4810 (5)	0.3786 (3)	0.171 (4)	0.5705
Zn35	0.6028 (3)	−0.3744 (6)	0.3395 (3)	0.065 (2)	0.5705
I310	0.6319 (3)	−0.4109 (6)	0.2785 (3)	0.118 (3)	0.5705
I402	0.3168 (6)	0.5312 (7)	1.0008 (4)	0.236 (9)	0.4126
Zn41	0.2799 (5)	0.6137 (18)	0.9360 (4)	0.089 (2)	0.4126
I401	0.2069 (5)	0.5779 (7)	0.8984 (5)	0.261 (10)	0.4126
I511	0.4496 (17)	0.491 (3)	0.1216 (15)	0.080*	0.0414
Zn56	0.473 (3)	0.331 (4)	0.120 (3)	0.080*	0.0414
I512	0.5394 (18)	0.323 (4)	0.0879 (17)	0.080*	0.0414
I307	0.3258 (4)	0.0380 (5)	0.5042 (3)	0.192 (6)	0.5057
Zn34	0.2922 (3)	0.0994 (6)	0.4371 (3)	0.0907 (14)	0.5057
I308	0.22100 (13)	0.0394 (3)	0.40052 (19)	0.0878 (15)	0.5057
I503	0.371 (4)	0.975 (6)	0.652 (4)	0.080*	0.0213
Zn52	0.415 (3)	0.8578 (15)	0.6248 (8)	0.080*	0.0213
I504	0.481 (3)	0.898 (6)	0.597 (3)	0.080*	0.0213
I507	0.2858 (6)	0.0133 (12)	0.4782 (5)	0.080*	0.1081
I508	0.1897 (6)	0.0916 (13)	0.3733 (5)	0.080*	0.1081
Zn54	0.2582 (12)	0.111 (2)	0.4173 (10)	0.080*	0.1081
C14A	0.4317 (15)	0.461 (4)	0.2954 (18)	0.13 (2)	0.5846
H14A	0.423107	0.510268	0.310948	0.193*	0.5846
H14B	0.452385	0.482992	0.279723	0.193*	0.5846
H14C	0.445337	0.414055	0.313412	0.193*	0.5846
C314	0.4067 (14)	0.760 (2)	0.6839 (10)	0.128 (11)
H314	0.381933	0.794924	0.673110	0.154*
C404	0.352 (4)	0.642 (5)	0.844 (3)	0.100 (16)	0.27 (8)
H404	0.349434	0.681006	0.821419	0.120*	0.27 (8)
C405	0.333 (4)	0.664 (3)	0.876 (3)	0.100 (16)	0.27 (8)
H405	0.330270	0.724029	0.882649	0.120*	0.27 (8)
C801	0.3009 (12)	0.783 (4)	0.3681 (14)	0.080*	0.3335
H80A	0.290649	0.722428	0.373374	0.096*	0.3335
H80B	0.275101	0.820659	0.358853	0.096*	0.3335
C802	0.3281 (16)	0.821 (4)	0.4069 (14)	0.080*	0.3335
H80C	0.335589	0.883947	0.402466	0.096*	0.3335
H80D	0.310554	0.820557	0.427910	0.096*	0.3335
C803	0.3700 (16)	0.768 (4)	0.4211 (11)	0.080*	0.3335
H80E	0.387686	0.796172	0.445014	0.096*	0.3335
H80F	0.362469	0.706832	0.428563	0.096*	0.3335
C804	0.3970 (12)	0.761 (4)	0.3884 (14)	0.080*	0.3335
H80G	0.407919	0.821397	0.383576	0.096*	0.3335
H80H	0.422484	0.722499	0.397747	0.096*	0.3335
C805	0.3701 (16)	0.724 (4)	0.3493 (13)	0.080*	0.3335
H80I	0.362923	0.661310	0.353173	0.096*	0.3335
H80J	0.387707	0.726844	0.328435	0.096*	0.3335
C806	0.3279 (16)	0.777 (4)	0.3355 (11)	0.080*	0.3335
H80K	0.310281	0.748441	0.311534	0.096*	0.3335
H80L	0.335100	0.838200	0.327940	0.096*	0.3335

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I406	0.23 (2)	0.087 (8)	0.082 (7)	0.048 (12)	0.033 (10)	0.025 (6)
I311	0.120 (6)	0.041 (3)	0.105 (4)	−0.004 (3)	−0.012 (4)	−0.007 (2)
I405	0.27 (2)	0.033 (6)	0.152 (10)	−0.002 (7)	−0.171 (13)	−0.010 (6)
I410	0.076 (3)	0.064 (6)	0.104 (4)	−0.012 (3)	−0.020 (3)	−0.033 (4)
I303	0.148 (4)	0.037 (3)	0.076 (3)	0.006 (2)	−0.052 (4)	−0.005 (2)
I302	0.106 (2)	0.0400 (16)	0.094 (2)	0.0112 (14)	0.0396 (18)	0.0116 (14)
I409	0.097 (4)	0.033 (2)	0.081 (2)	0.006 (2)	−0.038 (3)	0.0032 (18)
I301	0.088 (2)	0.0467 (19)	0.118 (3)	−0.0051 (16)	0.002 (2)	−0.0059 (17)
I407	0.107 (4)	0.096 (7)	0.072 (4)	0.053 (4)	0.030 (3)	0.052 (4)
I312	0.087 (3)	0.125 (5)	0.073 (3)	−0.030 (3)	0.014 (3)	−0.003 (3)
I304	0.080 (3)	0.173 (8)	0.067 (4)	−0.083 (4)	0.007 (2)	−0.022 (4)
I408	0.37 (2)	0.074 (6)	0.42 (2)	−0.093 (9)	0.182 (18)	−0.108 (9)
Zn43	0.062 (3)	0.036 (2)	0.096 (2)	−0.016 (2)	−0.040 (2)	0.0085 (17)
Zn45	0.158 (11)	0.038 (4)	0.047 (7)	0.007 (5)	−0.070 (5)	−0.015 (4)
Zn36	0.100 (7)	0.056 (6)	0.054 (5)	−0.015 (5)	0.008 (5)	0.009 (4)
Zn32	0.062 (4)	0.052 (6)	0.054 (7)	−0.025 (4)	−0.033 (4)	0.006 (5)
Zn31	0.140 (6)	0.0361 (17)	0.097 (6)	0.007 (4)	0.038 (5)	0.001 (5)
Zn44	0.136 (4)	0.0292 (16)	0.112 (3)	0.0072 (19)	0.039 (3)	0.0114 (18)
N308	0.077 (11)	0.016 (7)	0.066 (10)	0.000 (7)	−0.022 (9)	0.003 (6)
N309	0.064 (10)	0.030 (8)	0.068 (10)	−0.008 (7)	−0.020 (8)	0.012 (7)
N321	0.084 (12)	0.009 (6)	0.099 (13)	0.000 (7)	−0.041 (11)	0.007 (7)
N312	0.107 (16)	0.052 (11)	0.073 (13)	−0.014 (11)	−0.010 (12)	−0.008 (10)
N324	0.110 (15)	0.047 (8)	0.083 (12)	−0.011 (8)	−0.043 (11)	0.019 (8)
N310	0.080 (12)	0.033 (8)	0.061 (10)	−0.007 (8)	−0.035 (9)	0.006 (7)
C308	0.085 (15)	0.050 (12)	0.038 (10)	0.015 (11)	−0.005 (10)	0.007 (8)
N311	0.095 (12)	0.020 (6)	0.098 (12)	−0.011 (6)	−0.049 (9)	0.023 (7)
C307	0.063 (12)	0.041 (10)	0.047 (10)	0.020 (9)	−0.014 (9)	0.016 (8)
N317	0.096 (15)	0.048 (11)	0.090 (14)	0.005 (10)	−0.008 (12)	0.002 (10)
N314	0.079 (12)	0.055 (10)	0.072 (12)	−0.001 (9)	−0.008 (10)	−0.014 (9)
N304	0.075 (12)	0.063 (11)	0.049 (9)	0.003 (9)	−0.011 (8)	−0.003 (8)
N305	0.061 (11)	0.075 (12)	0.041 (9)	−0.007 (9)	−0.022 (8)	−0.002 (8)
N318	0.127 (17)	0.071 (12)	0.059 (11)	0.023 (12)	−0.011 (11)	0.025 (10)
N316	0.099 (12)	0.009 (6)	0.077 (11)	0.007 (7)	−0.020 (9)	0.002 (6)
N307	0.097 (14)	0.039 (9)	0.053 (10)	−0.009 (9)	−0.035 (9)	0.007 (7)
N313	0.17 (3)	0.038 (10)	0.062 (12)	−0.028 (13)	0.022 (14)	0.001 (9)
N323	0.088 (15)	0.050 (11)	0.106 (17)	−0.016 (11)	−0.003 (13)	0.005 (11)
N320	0.114 (16)	0.039 (9)	0.077 (13)	0.004 (10)	−0.048 (12)	0.026 (9)
N303	0.063 (11)	0.054 (10)	0.066 (11)	0.016 (9)	−0.003 (9)	0.002 (8)
N302	0.098 (15)	0.058 (12)	0.063 (12)	0.013 (11)	−0.017 (11)	0.019 (9)
C352	0.098 (16)	0.031 (10)	0.076 (13)	0.001 (10)	0.001 (12)	−0.016 (9)
C343	0.083 (14)	0.026 (9)	0.076 (13)	−0.002 (9)	0.001 (11)	−0.012 (9)
N306	0.117 (17)	0.071 (12)	0.034 (9)	0.009 (12)	−0.014 (10)	0.008 (8)
C334	0.086 (15)	0.028 (9)	0.053 (11)	0.008 (9)	−0.003 (10)	0.004 (8)
C325	0.051 (11)	0.033 (9)	0.067 (12)	−0.003 (8)	−0.015 (9)	0.017 (8)
C326	0.080 (14)	0.033 (9)	0.053 (11)	−0.011 (9)	−0.044 (10)	−0.014 (8)
C344	0.076 (13)	0.029 (9)	0.071 (12)	0.001 (9)	−0.032 (11)	−0.011 (9)
N322	0.104 (16)	0.034 (9)	0.085 (14)	0.000 (9)	−0.014 (12)	0.008 (9)
C321	0.097 (17)	0.043 (11)	0.051 (11)	−0.011 (11)	−0.043 (12)	0.006 (9)
N319	0.091 (14)	0.060 (11)	0.107 (15)	0.008 (10)	−0.028 (12)	0.020 (11)
C328	0.077 (12)	0.046 (8)	0.091 (13)	−0.006 (8)	−0.051 (10)	−0.001 (8)
C324	0.063 (12)	0.049 (11)	0.057 (12)	−0.005 (9)	−0.024 (10)	−0.009 (9)
N315	0.106 (15)	0.045 (10)	0.084 (13)	0.001 (10)	−0.015 (11)	−0.031 (9)
C306	0.081 (15)	0.066 (14)	0.042 (10)	0.023 (12)	−0.018 (10)	−0.009 (10)
C316	0.080 (14)	0.040 (10)	0.051 (11)	0.006 (10)	−0.008 (10)	0.001 (8)
C309	0.073 (14)	0.054 (12)	0.048 (11)	−0.003 (10)	−0.015 (10)	0.010 (9)
C336	0.12 (2)	0.063 (14)	0.041 (11)	−0.010 (14)	−0.017 (12)	0.008 (10)
N301	0.15 (2)	0.044 (11)	0.081 (14)	0.011 (12)	0.028 (14)	0.000 (10)
C345	0.094 (16)	0.040 (11)	0.091 (16)	0.023 (11)	−0.012 (13)	0.015 (11)
C362	0.095 (17)	0.021 (9)	0.098 (17)	0.005 (10)	−0.017 (14)	0.023 (10)
C327	0.082 (12)	0.032 (7)	0.091 (13)	−0.013 (7)	−0.018 (10)	0.019 (8)
C371	0.17 (2)	0.030 (9)	0.105 (17)	−0.005 (10)	−0.109 (17)	0.010 (9)
C313	0.11 (2)	0.049 (13)	0.060 (14)	0.009 (13)	−0.005 (14)	0.011 (10)
C303	0.088 (18)	0.067 (15)	0.076 (16)	0.022 (13)	0.012 (13)	0.004 (12)
C332	0.102 (19)	0.026 (10)	0.101 (19)	0.011 (11)	0.010 (15)	0.006 (11)
C312	0.067 (14)	0.061 (14)	0.072 (14)	−0.019 (11)	−0.024 (11)	−0.018 (11)
C348	0.106 (17)	0.046 (12)	0.091 (16)	0.002 (12)	−0.034 (14)	0.008 (11)
C360	0.071 (15)	0.064 (14)	0.072 (15)	−0.017 (12)	−0.004 (12)	0.006 (12)
C329	0.079 (12)	0.049 (10)	0.103 (14)	−0.005 (8)	−0.045 (11)	0.012 (9)
C333	0.12 (2)	0.025 (9)	0.053 (11)	−0.007 (10)	−0.003 (12)	−0.014 (8)
C353	0.129 (19)	0.073 (14)	0.049 (12)	0.021 (14)	−0.017 (13)	0.014 (11)
C335	0.085 (17)	0.041 (12)	0.105 (19)	0.003 (11)	−0.009 (14)	−0.014 (12)
C361	0.103 (19)	0.029 (10)	0.085 (16)	0.001 (11)	−0.024 (14)	0.002 (10)
C357	0.114 (17)	0.019 (9)	0.109 (16)	−0.005 (10)	−0.047 (14)	0.020 (10)
C363	0.061 (13)	0.034 (10)	0.078 (14)	0.006 (9)	0.002 (11)	0.007 (9)
C323	0.077 (15)	0.024 (9)	0.107 (19)	−0.005 (9)	−0.020 (13)	−0.001 (10)
C349	0.101 (17)	0.065 (13)	0.066 (13)	0.018 (12)	−0.048 (12)	0.015 (11)
C319	0.082 (16)	0.069 (15)	0.052 (12)	0.003 (12)	−0.033 (11)	−0.004 (10)
C366	0.15 (3)	0.041 (13)	0.072 (16)	−0.012 (14)	−0.007 (16)	0.017 (11)
C358	0.113 (17)	0.040 (11)	0.100 (16)	−0.002 (12)	−0.023 (14)	−0.007 (11)
C342	0.085 (15)	0.057 (13)	0.079 (14)	−0.006 (11)	−0.001 (12)	−0.020 (11)
C331	0.101 (14)	0.029 (9)	0.108 (14)	−0.003 (8)	−0.030 (11)	0.004 (8)
O3A	0.13 (2)	0.069 (17)	0.053 (14)	0.029 (16)	0.024 (15)	0.016 (12)
O2A	0.096 (19)	0.057 (15)	0.11 (2)	−0.011 (14)	0.033 (16)	0.000 (14)
C370	0.078 (13)	0.046 (8)	0.053 (10)	0.005 (8)	−0.044 (10)	0.010 (7)
C317	0.115 (19)	0.062 (14)	0.079 (15)	0.012 (13)	−0.011 (14)	0.036 (12)
C369	0.084 (14)	0.047 (8)	0.084 (14)	0.010 (9)	−0.024 (11)	0.002 (9)
C372	0.17 (2)	0.056 (9)	0.107 (19)	0.005 (12)	−0.119 (19)	0.002 (11)
C322	0.096 (17)	0.028 (10)	0.105 (18)	0.027 (11)	−0.053 (15)	−0.009 (11)
C320	0.13 (2)	0.064 (15)	0.044 (12)	−0.009 (15)	−0.023 (13)	0.001 (10)
C355	0.101 (16)	0.046 (12)	0.114 (17)	0.003 (11)	−0.057 (14)	0.018 (12)
C359	0.104 (17)	0.039 (11)	0.121 (18)	−0.013 (12)	−0.021 (15)	−0.008 (12)
C354	0.14 (2)	0.065 (14)	0.064 (13)	0.028 (14)	−0.002 (14)	0.015 (11)
C341	0.13 (3)	0.059 (18)	0.21 (4)	0.038 (18)	0.08 (3)	0.02 (2)
C330	0.118 (15)	0.035 (8)	0.122 (16)	0.001 (9)	−0.046 (13)	0.010 (9)
C350	0.114 (19)	0.053 (13)	0.105 (18)	−0.010 (13)	−0.033 (16)	0.020 (13)
C365	0.062 (15)	0.046 (13)	0.17 (3)	0.027 (12)	0.027 (18)	0.034 (17)
C368	0.084 (14)	0.046 (10)	0.088 (14)	0.008 (9)	−0.034 (11)	0.001 (9)
C356	0.104 (16)	0.021 (9)	0.118 (17)	0.005 (10)	−0.056 (14)	−0.005 (10)
C364	0.16 (3)	0.053 (15)	0.075 (17)	−0.029 (17)	0.003 (18)	−0.007 (12)
C339	0.10 (2)	0.050 (14)	0.12 (2)	0.002 (13)	−0.023 (17)	0.008 (14)
C351	0.102 (17)	0.063 (14)	0.113 (18)	0.009 (13)	0.017 (15)	0.027 (13)
C311	0.15 (3)	0.028 (11)	0.084 (18)	0.016 (13)	0.009 (18)	0.023 (11)
C367	0.16 (3)	0.023 (10)	0.11 (2)	−0.014 (13)	−0.05 (2)	−0.019 (12)
C310	0.10 (2)	0.062 (15)	0.077 (16)	0.013 (14)	0.009 (14)	0.020 (12)
C340	0.09 (2)	0.09 (2)	0.12 (3)	0.017 (17)	−0.024 (18)	0.023 (19)
C338	0.17 (4)	0.07 (2)	0.10 (2)	0.03 (2)	0.03 (2)	0.025 (18)
C337	0.12 (2)	0.10 (2)	0.072 (17)	0.023 (19)	0.033 (17)	−0.010 (15)
C301	0.19 (4)	0.09 (2)	0.077 (18)	0.05 (2)	0.07 (2)	0.031 (16)
C302	0.16 (3)	0.08 (2)	0.09 (2)	0.05 (2)	0.02 (2)	0.054 (16)
C305	0.11 (3)	0.11 (2)	0.08 (2)	0.05 (2)	0.03 (2)	0.03 (2)
C347	0.12 (2)	0.044 (12)	0.118 (19)	0.020 (13)	−0.006 (16)	0.019 (13)
C318	0.14 (2)	0.067 (15)	0.088 (16)	0.022 (15)	0.001 (16)	0.022 (13)
C3A	0.056 (15)	0.013 (11)	0.068 (16)	0.014 (11)	−0.030 (14)	0.006 (11)
C8A	0.11 (2)	0.036 (15)	0.084 (19)	−0.032 (15)	0.033 (17)	−0.007 (14)
C304	0.11 (3)	0.11 (2)	0.08 (2)	0.05 (2)	0.03 (2)	0.03 (2)
C346	0.13 (2)	0.056 (14)	0.119 (19)	0.019 (14)	0.029 (16)	0.009 (13)
C1A	0.049 (16)	0.043 (16)	0.08 (2)	−0.009 (13)	−0.021 (16)	−0.009 (15)
C7A	0.10 (2)	0.038 (15)	0.073 (18)	−0.010 (15)	0.016 (16)	0.006 (14)
C6A	0.058 (18)	0.058 (18)	0.11 (2)	−0.017 (16)	−0.024 (18)	−0.014 (18)
C5A	0.072 (18)	0.047 (16)	0.10 (2)	−0.004 (15)	−0.012 (17)	0.015 (16)
O1A	0.11 (2)	0.061 (17)	0.084 (19)	0.013 (16)	−0.046 (17)	0.031 (14)
C12A	0.14 (2)	0.034 (15)	0.068 (18)	0.005 (17)	0.030 (18)	0.017 (14)
C4A	0.076 (17)	0.019 (12)	0.059 (15)	−0.003 (12)	0.008 (14)	−0.002 (11)
C2A	0.051 (16)	0.050 (16)	0.065 (18)	0.005 (14)	−0.010 (14)	−0.010 (14)
C9A	0.14 (3)	0.047 (18)	0.09 (2)	−0.045 (18)	0.05 (2)	−0.024 (16)
C10A	0.13 (3)	0.07 (2)	0.07 (2)	−0.03 (2)	0.05 (2)	−0.026 (18)
C315	0.15 (2)	0.12 (2)	0.112 (19)	0.040 (18)	0.025 (18)	0.062 (17)
C13A	0.12 (3)	0.05 (2)	0.10 (2)	−0.02 (2)	−0.01 (2)	0.035 (19)
C11A	0.15 (3)	0.07 (2)	0.06 (2)	−0.01 (2)	0.04 (2)	0.001 (17)
C15A	0.14 (4)	0.06 (3)	0.11 (3)	0.05 (3)	0.03 (3)	0.01 (2)
I411	0.119 (8)	0.035 (3)	0.167 (13)	−0.022 (4)	−0.099 (8)	0.018 (5)
Zn46	0.130 (12)	0.035 (6)	0.119 (13)	−0.001 (6)	−0.102 (10)	0.011 (6)
I412	0.238 (16)	0.185 (15)	0.101 (9)	−0.104 (11)	−0.041 (9)	0.044 (9)
I403	0.44 (2)	0.036 (3)	0.172 (9)	0.007 (6)	−0.222 (11)	−0.005 (4)
Zn42	0.30 (2)	0.053 (9)	0.053 (9)	−0.033 (10)	−0.032 (10)	0.020 (7)
I404	0.41 (2)	0.233 (17)	0.098 (7)	−0.160 (15)	−0.076 (9)	0.039 (8)
Zn33	0.062 (3)	0.036 (2)	0.096 (2)	−0.016 (2)	−0.040 (2)	0.0085 (17)
I305	0.107 (2)	0.041 (2)	0.157 (4)	0.0063 (15)	−0.037 (2)	−0.041 (2)
I306	0.0583 (13)	0.079 (2)	0.154 (3)	0.0037 (13)	−0.0185 (15)	0.061 (2)
I309	0.158 (6)	0.056 (4)	0.287 (11)	0.005 (3)	0.022 (6)	0.055 (5)
Zn35	0.071 (4)	0.039 (3)	0.060 (6)	−0.002 (3)	−0.044 (4)	−0.008 (3)
I310	0.164 (8)	0.059 (3)	0.098 (4)	−0.007 (4)	−0.053 (4)	−0.027 (3)
I402	0.47 (2)	0.064 (6)	0.242 (14)	0.102 (10)	0.234 (16)	0.075 (7)
Zn41	0.140 (6)	0.0361 (17)	0.097 (6)	0.007 (4)	0.038 (5)	0.001 (5)
I401	0.44 (2)	0.097 (7)	0.328 (19)	−0.137 (10)	0.261 (17)	−0.111 (10)
I307	0.394 (16)	0.043 (4)	0.174 (9)	0.069 (6)	0.139 (9)	0.055 (4)
Zn34	0.136 (4)	0.0292 (16)	0.112 (3)	0.0072 (19)	0.039 (3)	0.0114 (18)
I308	0.075 (2)	0.033 (2)	0.148 (4)	−0.0103 (15)	0.006 (2)	0.024 (2)
C14A	0.07 (3)	0.12 (4)	0.18 (5)	−0.04 (3)	0.00 (3)	−0.03 (4)
C314	0.16 (2)	0.111 (19)	0.101 (19)	0.050 (19)	−0.006 (18)	0.079 (16)
C404	0.11 (3)	0.11 (2)	0.08 (2)	0.05 (2)	0.03 (2)	0.03 (2)
C405	0.11 (3)	0.11 (2)	0.08 (2)	0.05 (2)	0.03 (2)	0.03 (2)

Geometric parameters (Å, º)

I406—Zn43	2.521 (16)	C357—C358	1.43 (3)
I311—Zn36	2.523 (10)	C357—C356	1.43 (3)
I405—Zn43	2.492 (15)	C363—C364	1.36 (3)
I410—Zn45	2.468 (13)	C363—C367	1.33 (3)
I303—Zn32	2.528 (9)	C323—H323	0.9500
I302—Zn31	2.599 (10)	C323—C322	1.40 (3)
I409—Zn45	2.548 (13)	C349—H349	0.9500
I301—Zn31	2.441 (10)	C319—H319	0.9500
I407—Zn44	2.521 (12)	C319—C320	1.33 (3)
I312—Zn36	2.554 (9)	C366—H366	0.9500
I304—Zn32	2.556 (9)	C366—C367	1.33 (3)
I408—Zn44	2.519 (14)	C358—H358	0.9500
Zn43—N311	2.05 (2)	C358—C359	1.38 (3)
Zn43—N305^i	2.33 (3)	C342—C339	1.55 (4)
Zn45—N324^ii	2.22 (2)	C331—H331	0.9500
Zn45—N317	2.04 (2)	C331—C330	1.40 (3)
Zn36—N318	2.02 (2)	O3A—C12A	1.38 (3)
Zn36—N319	2.04 (2)	O3A—C15A	1.42 (4)
Zn32—N307	2.049 (17)	O2A—C8A	1.38 (3)
Zn32—N306	2.04 (2)	O2A—C14A	1.439 (19)
Zn31—N323^iii	2.12 (3)	C370—C369	1.36 (3)
Zn31—N301	2.02 (3)	C317—H317	0.9500
Zn44—N312	2.10 (2)	C317—C318	1.50 (4)
Zn44—N313	1.97 (3)	C369—H369	0.9500
N308—C326	1.37 (2)	C369—C368	1.42 (3)
N308—C324	1.37 (2)	C372—H372	0.9500
N309—C325	1.29 (2)	C322—H322	0.9500
N309—C324	1.34 (2)	C320—H320	0.9500
N321—C360	1.36 (3)	C355—H355	0.9500
N321—C361	1.34 (3)	C355—C356	1.33 (3)
N312—C336	1.29 (3)	C359—H359	0.9500
N312—C332	1.31 (3)	C354—H354	0.9500
N312—Zn34	2.08 (2)	C341—H341	0.9500
N312—Zn54	2.20 (4)	C341—C340	1.48 (5)
N324—C372	1.33 (3)	C330—H330	0.9500
N324—C368	1.36 (3)	C350—H350	0.9500
N324—Zn35^iv	1.95 (2)	C350—C351	1.38 (4)
N310—C325	1.34 (2)	C365—H365	0.9500
N310—C326	1.32 (2)	C365—C364	1.47 (3)
C308—N304	1.30 (3)	C368—H368	0.9500
C308—N302	1.32 (3)	C356—H356	0.9500
C308—C316	1.42 (3)	C364—H364	0.9500
N311—C329	1.34 (3)	C339—C340	1.38 (4)
N311—C330	1.39 (3)	C339—C338	1.34 (4)
N311—Zn33	2.088 (16)	C351—H351	0.9500
C307—N304	1.38 (3)	C311—H311	0.9500
C307—N303	1.33 (3)	C311—C310	1.42 (3)
C307—C309	1.51 (3)	C367—H367	0.9500
N317—C348	1.28 (3)	C310—H310	0.9500
N317—C347	1.29 (4)	C340—H340	0.9500
N317—Zn35	2.11 (2)	C338—H338	0.9500
N314—C344	1.36 (3)	C338—C337	1.32 (4)
N314—C342	1.36 (3)	C337—H337	0.9500
N305—C312	1.40 (3)	C301—H301	0.9500
N305—C311	1.25 (3)	C301—C302	1.40 (4)
N305—Zn33^v	1.99 (2)	C302—H302	0.9500
N318—C354	1.33 (3)	C305—H305	0.9500
N318—C350	1.37 (4)	C305—C304	1.39 (4)
N318—Zn46	2.01 (2)	C347—H347	0.9500
N318—Zn56	2.35 (9)	C347—C346	1.41 (4)
N316—C343	1.37 (3)	C318—H318	0.9500
N316—C344	1.33 (3)	C3A—H3A	0.9500
N307—C323	1.35 (3)	C3A—C4A	1.386 (18)
N307—C319	1.35 (3)	C3A—C2A	1.393 (18)
N307—Zn42	2.084 (19)	C8A—C7A	1.38 (2)
N307—Zn52	2.06 (2)	C8A—C9A	1.38 (2)
N313—C341	1.20 (4)	C304—H304	0.9500
N313—C337	1.43 (4)	C346—H346	0.9500
N313—Zn34	1.95 (3)	C1A—H1A	0.9500
N323—C366	1.33 (3)	C1A—C6A	1.384 (19)
N323—C365	1.26 (4)	C1A—C2A	1.386 (18)
N323—Zn41^vi	2.07 (3)	C7A—C12A	1.37 (2)
N320—C362	1.33 (3)	C7A—C4A	1.51 (3)
N320—C360	1.30 (3)	C6A—H6A	0.9500
N303—C306	1.29 (3)	C6A—C5A	1.392 (18)
N302—C306	1.34 (3)	C5A—C4A	1.393 (18)
C352—C344	1.46 (3)	C5A—C13A	1.509 (19)
C352—C353	1.37 (4)	O1A—H1AA	0.8400
C352—C351	1.31 (3)	O1A—C13A	1.421 (19)
C343—N315	1.32 (3)	C12A—C11A	1.38 (2)
C343—C345	1.46 (3)	C2A—H2A	0.9500
N306—C318	1.24 (3)	C9A—H9A	0.9500
N306—Zn42	2.04 (2)	C9A—C10A	1.37 (2)
N306—Zn52	2.04 (3)	C10A—H10A	0.9500
N306—C314	1.16 (4)	C10A—C11A	1.37 (2)
C334—C326	1.50 (2)	C315—H315	0.9500
C334—C333	1.36 (3)	C315—C314	1.44 (4)
C334—C335	1.34 (3)	C13A—H13A	0.9900
C325—C327	1.44 (3)	C13A—H13B	0.9900
N322—C362	1.41 (3)	C11A—H11A	0.9500
N322—C361	1.34 (3)	C15A—H15A	0.9800
C321—C324	1.46 (2)	C15A—H15B	0.9800
C321—C322	1.35 (3)	C15A—H15C	0.9800
C321—C320	1.40 (3)	I411—Zn46	2.526 (13)
N319—C355	1.33 (3)	Zn46—I412	2.532 (14)
N319—C359	1.30 (3)	I403—Zn42	2.514 (13)
N319—Zn46	2.04 (2)	Zn42—I404	2.534 (14)
N319—Zn56	2.42 (10)	Zn33—I305	2.507 (6)
C328—H328	0.9500	Zn33—I306	2.536 (7)
C328—C327	1.32 (3)	I309—Zn35	2.588 (9)
C328—C329	1.39 (3)	Zn35—I310	2.509 (10)
N315—C342	1.30 (3)	I402—Zn41	2.602 (13)
C306—C303	1.52 (3)	Zn41—I401	2.448 (15)
C316—C317	1.32 (4)	I511—Zn56	2.526 (19)
C316—C315	1.30 (4)	Zn56—I512	2.54 (2)
C309—C313	1.32 (3)	I307—Zn34	2.500 (10)
C309—C310	1.35 (3)	Zn34—I308	2.499 (10)
C336—H336	0.9500	I503—Zn52	2.515 (19)
C336—C335	1.35 (3)	Zn52—I504	2.54 (2)
N301—C301	1.34 (4)	I507—Zn54	2.55 (4)
N301—C305	1.38 (4)	I508—Zn54	2.38 (4)
N301—Zn41	2.02 (3)	C14A—H14A	0.9800
N301—C405	1.38 (4)	C14A—H14B	0.9800
C345—C349	1.37 (4)	C14A—H14C	0.9800
C345—C346	1.41 (4)	C314—H314	0.9500
C362—C370	1.45 (3)	C404—H404	0.9500
C327—C331	1.40 (3)	C404—C405	1.39 (4)
C371—H371	0.9500	C405—H405	0.9500
C371—C370	1.42 (3)	C801—H80A	0.9900
C371—C372	1.37 (3)	C801—H80B	0.9900
C313—H313	0.9500	C801—C802	1.539 (13)
C313—C312	1.32 (3)	C801—C806	1.538 (13)
C303—C302	1.41 (3)	C802—H80C	0.9900
C303—C304	1.38 (4)	C802—H80D	0.9900
C303—C404	1.38 (4)	C802—C803	1.537 (13)
C332—H332	0.9500	C803—H80E	0.9900
C332—C333	1.38 (3)	C803—H80F	0.9900
C312—H312	0.9500	C803—C804	1.537 (13)
C348—H348	0.9500	C804—H80G	0.9900
C348—C349	1.41 (3)	C804—H80H	0.9900
C360—C357	1.43 (3)	C804—C805	1.536 (13)
C329—H329	0.9500	C805—H80I	0.9900
C333—H333	0.9500	C805—H80J	0.9900
C353—H353	0.9500	C805—C806	1.536 (13)
C353—C354	1.46 (3)	C806—H80K	0.9900
C335—H335	0.9500	C806—H80L	0.9900
C361—C363	1.50 (3)
I405—Zn43—I406	125.1 (10)	C316—C317—C318	121 (3)
N311—Zn43—I406	103.9 (11)	C318—C317—H317	119.4
N311—Zn43—I405	112.1 (10)	C370—C369—H369	122.4
N311—Zn43—N305^i	91.6 (9)	C370—C369—C368	115 (2)
N305^i—Zn43—I406	113.2 (10)	C368—C369—H369	122.4
N305^i—Zn43—I405	105.8 (10)	N324—C372—C371	130 (2)
I410—Zn45—I409	130.2 (6)	N324—C372—H372	115.2
N324^ii—Zn45—I410	102.7 (10)	C371—C372—H372	115.2
N324^ii—Zn45—I409	103.1 (8)	C321—C322—C323	120.1 (19)
N317—Zn45—I410	113.9 (10)	C321—C322—H322	120.0
N317—Zn45—I409	106.7 (9)	C323—C322—H322	120.0
N317—Zn45—N324^ii	92.6 (9)	C321—C320—H320	121.8
I311—Zn36—I312	126.9 (5)	C319—C320—C321	116 (2)
N318—Zn36—I311	109.0 (8)	C319—C320—H320	121.8
N318—Zn36—I312	104.6 (9)	N319—C355—H355	117.0
N318—Zn36—N319	100.6 (10)	C356—C355—N319	126 (2)
N319—Zn36—I311	107.8 (8)	C356—C355—H355	117.0
N319—Zn36—I312	104.9 (9)	N319—C359—C358	125 (2)
I303—Zn32—I304	125.2 (4)	N319—C359—H359	117.7
N307—Zn32—I303	108.7 (7)	C358—C359—H359	117.7
N307—Zn32—I304	101.9 (7)	N318—C354—C353	122 (3)
N306—Zn32—I303	110.5 (8)	N318—C354—H354	119.0
N306—Zn32—I304	104.3 (8)	C353—C354—H354	119.0
N306—Zn32—N307	104.1 (8)	N313—C341—H341	115.2
I301—Zn31—I302	122.5 (6)	N313—C341—C340	130 (3)
N323^iii—Zn31—I302	107.8 (8)	C340—C341—H341	115.2
N323^iii—Zn31—I301	108.3 (8)	N311—C330—C331	120 (2)
N301—Zn31—I302	102.0 (8)	N311—C330—H330	120.0
N301—Zn31—I301	113.3 (9)	C331—C330—H330	120.0
N301—Zn31—N323^iii	100.7 (11)	N318—C350—H350	118.5
I408—Zn44—I407	121.0 (7)	N318—C350—C351	123 (3)
N312—Zn44—I407	112.2 (8)	C351—C350—H350	118.5
N312—Zn44—I408	101.5 (8)	N323—C365—H365	119.7
N313—Zn44—I407	109.5 (9)	N323—C365—C364	121 (2)
N313—Zn44—I408	108.3 (10)	C364—C365—H365	119.7
N313—Zn44—N312	102.5 (10)	N324—C368—C369	126 (2)
C326—N308—C324	112.9 (15)	N324—C368—H368	117.1
C325—N309—C324	117.1 (17)	C369—C368—H368	117.1
C361—N321—C360	111.3 (17)	C357—C356—H356	119.1
C336—N312—Zn44	126.1 (17)	C355—C356—C357	122 (2)
C336—N312—C332	117 (2)	C355—C356—H356	119.1
C336—N312—Zn34	123.8 (16)	C363—C364—C365	119 (3)
C336—N312—Zn54	95.3 (18)	C363—C364—H364	120.6
C332—N312—Zn44	117.1 (16)	C365—C364—H364	120.6
C332—N312—Zn34	119.4 (16)	C340—C339—C342	122 (3)
C332—N312—Zn54	145 (2)	C338—C339—C342	123 (3)
C372—N324—Zn45^iv	120.4 (15)	C338—C339—C340	115 (4)
C372—N324—C368	112.4 (19)	C352—C351—C350	122 (3)
C372—N324—Zn35^iv	125.7 (15)	C352—C351—H351	118.8
C368—N324—Zn45^iv	125.3 (15)	C350—C351—H351	118.8
C368—N324—Zn35^iv	121.4 (16)	N305—C311—H311	118.0
C326—N310—C325	111.7 (15)	N305—C311—C310	124 (2)
N304—C308—N302	124 (2)	C310—C311—H311	118.0
N304—C308—C316	121 (2)	C363—C367—H367	117.4
N302—C308—C316	115 (2)	C366—C367—C363	125 (3)
C329—N311—Zn43	116.1 (15)	C366—C367—H367	117.4
C329—N311—C330	117.5 (19)	C309—C310—C311	118 (3)
C329—N311—Zn33	122.4 (14)	C309—C310—H310	120.9
C330—N311—Zn43	125.2 (17)	C311—C310—H310	120.9
C330—N311—Zn33	120.0 (15)	C341—C340—H340	122.4
N304—C307—C309	118 (2)	C339—C340—C341	115 (3)
N303—C307—N304	123.4 (17)	C339—C340—H340	122.4
N303—C307—C309	118.6 (18)	C339—C338—H338	117.8
C348—N317—Zn45	117 (2)	C337—C338—C339	124 (3)
C348—N317—C347	120 (3)	C337—C338—H338	117.8
C348—N317—Zn35	126 (2)	N313—C337—H337	118.7
C347—N317—Zn45	122.4 (19)	C338—C337—N313	123 (3)
C347—N317—Zn35	113.3 (18)	C338—C337—H337	118.7
C342—N314—C344	111 (2)	N301—C301—H301	118.4
C308—N304—C307	115 (2)	N301—C301—C302	123 (3)
C312—N305—Zn43^v	120.5 (18)	C302—C301—H301	118.4
C312—N305—Zn33^v	124.0 (18)	C303—C302—H302	120.1
C311—N305—Zn43^v	120.5 (16)	C301—C302—C303	120 (3)
C311—N305—C312	119 (2)	C301—C302—H302	120.1
C311—N305—Zn33^v	117.0 (16)	N301—C305—H305	119.9
C354—N318—Zn36	126 (2)	N301—C305—C304	120 (3)
C354—N318—C350	115 (2)	C304—C305—H305	119.9
C354—N318—Zn46	119 (2)	N317—C347—H347	118.4
C354—N318—Zn56	101 (2)	N317—C347—C346	123 (3)
C350—N318—Zn36	119.1 (18)	C346—C347—H347	118.4
C350—N318—Zn46	126.1 (18)	N306—C318—C317	120 (3)
C350—N318—Zn56	143 (2)	N306—C318—H318	120.2
C344—N316—C343	113 (2)	C317—C318—H318	120.2
C323—N307—Zn32	119.8 (14)	C4A—C3A—H3A	120.6
C323—N307—Zn42	115.1 (15)	C4A—C3A—C2A	118.7 (15)
C323—N307—Zn52	129.2 (18)	C2A—C3A—H3A	120.6
C319—N307—Zn32	122.6 (15)	C7A—C8A—O2A	118 (2)
C319—N307—C323	117.3 (18)	C7A—C8A—C9A	119.6 (16)
C319—N307—Zn42	127.5 (15)	C9A—C8A—O2A	122 (2)
C319—N307—Zn52	111 (2)	C303—C304—C305	123 (3)
C341—N313—Zn44	124 (3)	C303—C304—H304	118.5
C341—N313—C337	111 (3)	C305—C304—H304	118.5
C341—N313—Zn34	122 (3)	C345—C346—C347	118 (3)
C337—N313—Zn44	123.3 (18)	C345—C346—H346	121.1
C337—N313—Zn34	125.6 (18)	C347—C346—H346	121.1
C366—N323—Zn31^vi	114.8 (18)	C6A—C1A—H1A	119.9
C366—N323—Zn41^vi	126.1 (19)	C6A—C1A—C2A	120.3 (16)
C365—N323—Zn31^vi	125.1 (18)	C2A—C1A—H1A	119.9
C365—N323—C366	120 (2)	C8A—C7A—C4A	120 (2)
C365—N323—Zn41^vi	113.7 (18)	C12A—C7A—C8A	119.8 (16)
C360—N320—C362	115.0 (19)	C12A—C7A—C4A	120 (2)
C306—N303—C307	115 (2)	C1A—C6A—H6A	119.8
C308—N302—C306	115 (2)	C1A—C6A—C5A	120.4 (16)
C353—C352—C344	118 (2)	C5A—C6A—H6A	119.8
C351—C352—C344	124 (3)	C6A—C5A—C4A	118.6 (15)
C351—C352—C353	117 (3)	C6A—C5A—C13A	121 (2)
N316—C343—C345	115 (2)	C4A—C5A—C13A	119.7 (19)
N315—C343—N316	126 (2)	C13A—O1A—H1AA	109.5
N315—C343—C345	119 (2)	C7A—C12A—O3A	118 (2)
C318—N306—Zn32	124 (2)	C7A—C12A—C11A	120.7 (16)
C318—N306—Zn42	118 (2)	C11A—C12A—O3A	121 (2)
C318—N306—Zn52	140 (3)	C3A—C4A—C7A	119.8 (18)
C314—N306—Zn32	118 (2)	C3A—C4A—C5A	121.6 (15)
C314—N306—C318	117 (3)	C5A—C4A—C7A	118.6 (19)
C314—N306—Zn42	124 (2)	C3A—C2A—H2A	119.9
C314—N306—Zn52	103 (3)	C1A—C2A—C3A	120.3 (15)
C333—C334—C326	122.1 (17)	C1A—C2A—H2A	119.9
C335—C334—C326	123.1 (18)	C8A—C9A—H9A	120.0
C335—C334—C333	114.5 (19)	C10A—C9A—C8A	120.0 (17)
N309—C325—N310	127.4 (16)	C10A—C9A—H9A	120.0
N309—C325—C327	115.5 (18)	C9A—C10A—H10A	119.7
N310—C325—C327	116.8 (17)	C11A—C10A—C9A	120.7 (17)
N308—C326—C334	114.6 (16)	C11A—C10A—H10A	119.7
N310—C326—N308	127.8 (17)	C316—C315—H315	120.3
N310—C326—C334	117.6 (15)	C316—C315—C314	119 (4)
N314—C344—C352	115.0 (19)	C314—C315—H315	120.3
N316—C344—N314	127 (2)	C5A—C13A—H13A	109.3
N316—C344—C352	118 (2)	C5A—C13A—H13B	109.3
C361—N322—C362	112.5 (19)	O1A—C13A—C5A	111.5 (18)
C322—C321—C324	121 (2)	O1A—C13A—H13A	109.3
C322—C321—C320	119.9 (19)	O1A—C13A—H13B	109.3
C320—C321—C324	119 (2)	H13A—C13A—H13B	108.0
C355—N319—Zn36	125.4 (16)	C12A—C11A—H11A	120.5
C355—N319—Zn46	119.9 (17)	C10A—C11A—C12A	119.0 (16)
C355—N319—Zn56	108 (2)	C10A—C11A—H11A	120.5
C359—N319—Zn36	119.9 (18)	O3A—C15A—H15A	109.5
C359—N319—C355	115 (2)	O3A—C15A—H15B	109.5
C359—N319—Zn46	125.4 (18)	O3A—C15A—H15C	109.5
C359—N319—Zn56	133 (2)	H15A—C15A—H15B	109.5
C327—C328—H328	117.3	H15A—C15A—H15C	109.5
C327—C328—C329	125 (2)	H15B—C15A—H15C	109.5
C329—C328—H328	117.3	N318—Zn46—N319	100.9 (11)
N308—C324—C321	116.8 (17)	N318—Zn46—I411	107.6 (10)
N309—C324—N308	122.5 (16)	N318—Zn46—I412	109.8 (10)
N309—C324—C321	120.6 (19)	N319—Zn46—I411	104.2 (8)
C342—N315—C343	114 (2)	N319—Zn46—I412	106.1 (11)
N303—C306—N302	126 (2)	I411—Zn46—I412	125.3 (7)
N303—C306—C303	118 (2)	N307—Zn42—I403	106.7 (8)
N302—C306—C303	116 (2)	N307—Zn42—I404	107.8 (9)
C317—C316—C308	119 (2)	N306—Zn42—N307	102.9 (9)
C315—C316—C308	127 (3)	N306—Zn42—I403	103.6 (9)
C315—C316—C317	114 (3)	N306—Zn42—I404	109.5 (10)
C313—C309—C307	123 (2)	I403—Zn42—I404	124.4 (7)
C313—C309—C310	115 (2)	N311—Zn33—I305	106.2 (7)
C310—C309—C307	123 (2)	N311—Zn33—I306	103.7 (7)
N312—C336—H336	118.4	N305^i—Zn33—N311	100.9 (7)
N312—C336—C335	123 (2)	N305^i—Zn33—I305	109.0 (7)
C335—C336—H336	118.4	N305^i—Zn33—I306	109.0 (6)
C301—N301—Zn31	128.6 (19)	I305—Zn33—I306	125.2 (3)
C301—N301—C305	118 (3)	N324^ii—Zn35—N317	99.1 (9)
C301—N301—Zn41	119.1 (19)	N324^ii—Zn35—I309	111.7 (9)
C301—N301—C405	104 (5)	N324^ii—Zn35—I310	107.6 (9)
C305—N301—Zn31	113 (2)	N317—Zn35—I309	104.7 (8)
C405—N301—Zn41	124 (2)	N317—Zn35—I310	102.8 (8)
C349—C345—C343	126 (2)	I310—Zn35—I309	126.8 (5)
C349—C345—C346	116 (2)	N323^iii—Zn41—I402	113.6 (11)
C346—C345—C343	118 (3)	N323^iii—Zn41—I401	104.3 (10)
N320—C362—N322	123.9 (19)	N301—Zn41—N323^iii	102.5 (13)
N320—C362—C370	122.3 (19)	N301—Zn41—I402	106.1 (10)
N322—C362—C370	114 (2)	N301—Zn41—I401	104.7 (10)
C328—C327—C325	125 (2)	I401—Zn41—I402	123.4 (10)
C328—C327—C331	114 (2)	N318—Zn56—N319	82 (2)
C331—C327—C325	120 (2)	N318—Zn56—I511	104 (3)
C370—C371—H371	123.4	N318—Zn56—I512	135 (4)
C372—C371—H371	123.4	N319—Zn56—I511	92 (3)
C372—C371—C370	113 (2)	N319—Zn56—I512	126 (5)
C309—C313—H313	115.6	I511—Zn56—I512	109 (3)
C312—C313—C309	129 (2)	N312—Zn34—I307	110.3 (7)
C312—C313—H313	115.6	N312—Zn34—I308	109.0 (7)
C302—C303—C306	120 (2)	N313—Zn34—N312	103.6 (10)
C304—C303—C306	125 (2)	N313—Zn34—I307	106.6 (9)
C304—C303—C302	116 (3)	N313—Zn34—I308	106.4 (8)
C404—C303—C306	124 (3)	I308—Zn34—I307	119.6 (5)
C404—C303—C302	111 (3)	N307—Zn52—I503	122 (4)
N312—C332—H332	119.0	N307—Zn52—I504	92 (3)
N312—C332—C333	122 (2)	N306—Zn52—N307	103.8 (12)
C333—C332—H332	119.0	N306—Zn52—I503	109 (4)
N305—C312—H312	122.4	N306—Zn52—I504	105 (4)
C313—C312—N305	115 (3)	I503—Zn52—I504	121 (4)
C313—C312—H312	122.4	N312—Zn54—I507	99.3 (15)
N317—C348—H348	119.0	N312—Zn54—I508	126.4 (18)
N317—C348—C349	122 (3)	I508—Zn54—I507	124.2 (15)
C349—C348—H348	119.0	O2A—C14A—H14A	109.5
N321—C360—C357	117 (2)	O2A—C14A—H14B	109.5
N320—C360—N321	128 (2)	O2A—C14A—H14C	109.5
N320—C360—C357	114 (2)	H14A—C14A—H14B	109.5
N311—C329—C328	121 (2)	H14A—C14A—H14C	109.5
N311—C329—H329	119.7	H14B—C14A—H14C	109.5
C328—C329—H329	119.7	N306—C314—C315	128 (3)
C334—C333—C332	121 (2)	N306—C314—H314	115.8
C334—C333—H333	119.6	C315—C314—H314	115.8
C332—C333—H333	119.6	C303—C404—H404	119.6
C352—C353—H353	120.3	C303—C404—C405	121 (4)
C352—C353—C354	119 (3)	C405—C404—H404	119.5
C354—C353—H353	120.3	N301—C405—C404	118 (4)
C334—C335—C336	122 (2)	N301—C405—H405	120.8
C334—C335—H335	118.9	C404—C405—H405	120.8
C336—C335—H335	118.9	H80A—C801—H80B	108.0
N321—C361—N322	127.4 (19)	C802—C801—H80A	109.4
N321—C361—C363	117.3 (19)	C802—C801—H80B	109.4
N322—C361—C363	114.8 (19)	C806—C801—H80A	109.4
C360—C357—C356	124 (2)	C806—C801—H80B	109.4
C358—C357—C360	125 (2)	C806—C801—C802	111 (2)
C358—C357—C356	110 (2)	C801—C802—H80C	109.4
C364—C363—C361	122 (2)	C801—C802—H80D	109.4
C367—C363—C361	122 (2)	H80C—C802—H80D	108.0
C367—C363—C364	115 (2)	C803—C802—C801	111.1 (19)
N307—C323—H323	120.1	C803—C802—H80C	109.4
N307—C323—C322	120 (2)	C803—C802—H80D	109.4
C322—C323—H323	120.1	C802—C803—H80E	109.3
C345—C349—C348	120 (3)	C802—C803—H80F	109.3
C345—C349—H349	119.9	H80E—C803—H80F	108.0
C348—C349—H349	119.9	C804—C803—C802	111.5 (19)
N307—C319—H319	117.1	C804—C803—H80E	109.3
C320—C319—N307	126 (2)	C804—C803—H80F	109.3
C320—C319—H319	117.1	C803—C804—H80G	109.3
N323—C366—H366	119.9	C803—C804—H80H	109.3
N323—C366—C367	120 (3)	H80G—C804—H80H	107.9
C367—C366—H366	119.9	C805—C804—C803	112 (2)
C357—C358—H358	119.1	C805—C804—H80G	109.3
C359—C358—C357	122 (2)	C805—C804—H80H	109.3
C359—C358—H358	119.1	C804—C805—H80I	109.3
N314—C342—C339	113 (2)	C804—C805—H80J	109.3
N315—C342—N314	129 (3)	C804—C805—C806	111.6 (19)
N315—C342—C339	118 (3)	H80I—C805—H80J	108.0
C327—C331—H331	118.9	C806—C805—H80I	109.3
C330—C331—C327	122 (2)	C806—C805—H80J	109.3
C330—C331—H331	118.9	C801—C806—H80K	109.3
C12A—O3A—C15A	117 (3)	C801—C806—H80L	109.3
C8A—O2A—C14A	118 (4)	C805—C806—C801	111.7 (19)
C371—C370—C362	119 (2)	C805—C806—H80K	109.3
C369—C370—C362	118.2 (18)	C805—C806—H80L	109.3
C369—C370—C371	122.5 (18)	H80K—C806—H80L	107.9
C316—C317—H317	119.4
Zn43—N311—C329—C328	−169 (2)	C360—C357—C356—C355	−177 (3)
Zn43—N311—C330—C331	164 (2)	C329—N311—C330—C331	−2 (5)
Zn43^v—N305—C312—C313	−169.5 (17)	C329—C328—C327—C325	177 (3)
Zn43^v—N305—C311—C310	173 (2)	C329—C328—C327—C331	−6 (5)
Zn45^iv—N324—C372—C371	160 (4)	C333—C334—C326—N308	16 (4)
Zn45^iv—N324—C368—C369	−168 (2)	C333—C334—C326—N310	−166 (2)
Zn45—N317—C348—C349	−179.6 (18)	C333—C334—C335—C336	−4 (4)
Zn45—N317—C347—C346	179 (2)	C353—C352—C344—N314	−177 (2)
Zn36—N318—C354—C353	−174 (2)	C353—C352—C344—N316	0 (3)
Zn36—N318—C350—C351	175 (2)	C353—C352—C351—C350	9 (4)
Zn36—N319—C355—C356	−172 (3)	C335—C334—C326—N308	−171 (3)
Zn36—N319—C359—C358	175 (3)	C335—C334—C326—N310	7 (4)
Zn32—N307—C323—C322	−179 (2)	C335—C334—C333—C332	0 (4)
Zn32—N307—C319—C320	176 (2)	C361—N321—C360—N320	−11 (4)
Zn32—N306—C318—C317	179 (2)	C361—N321—C360—C357	−179 (3)
Zn32—N306—C314—C315	−180 (3)	C361—N322—C362—N320	8 (4)
Zn31^vi—N323—C366—C367	177 (3)	C361—N322—C362—C370	−171 (2)
Zn31^vi—N323—C365—C364	−179 (2)	C361—C363—C364—C365	174 (3)
Zn31—N301—C301—C302	166 (3)	C361—C363—C367—C366	−176 (3)
Zn31—N301—C305—C304	−173 (4)	C357—C358—C359—N319	2 (5)
Zn44—N312—C336—C335	177 (2)	C323—N307—C319—C320	−10 (4)
Zn44—N312—C332—C333	179 (2)	C349—C345—C346—C347	8 (4)
Zn44—N313—C341—C340	−177 (3)	C319—N307—C323—C322	7 (4)
Zn44—N313—C337—C338	179 (3)	C366—N323—C365—C364	5 (5)
N309—C325—C327—C328	1 (4)	C358—C357—C356—C355	1 (5)
N309—C325—C327—C331	−176 (2)	C342—N314—C344—N316	1 (3)
N321—C360—C357—C358	−180 (3)	C342—N314—C344—C352	177.6 (18)
N321—C360—C357—C356	−2 (5)	C342—C339—C340—C341	−179 (3)
N321—C361—C363—C364	17 (4)	C342—C339—C338—C337	180 (3)
N321—C361—C363—C367	−174 (3)	O3A—C12A—C11A—C10A	177 (3)
N312—C336—C335—C334	6 (5)	O2A—C8A—C7A—C12A	−178 (3)
N312—C332—C333—C334	3 (4)	O2A—C8A—C7A—C4A	−5 (5)
N310—C325—C327—C328	174 (3)	O2A—C8A—C9A—C10A	−178 (4)
N310—C325—C327—C331	−3 (4)	C370—C371—C372—N324	11 (6)
C308—N302—C306—N303	−2 (3)	C370—C369—C368—N324	5 (5)
C308—N302—C306—C303	−179 (2)	C317—C316—C315—C314	−1 (5)
C308—C316—C317—C318	173 (2)	C372—N324—C368—C369	−4 (5)
C308—C316—C315—C314	−174 (3)	C372—C371—C370—C362	176 (3)
C307—N303—C306—N302	1 (3)	C372—C371—C370—C369	−9 (5)
C307—N303—C306—C303	178 (2)	C322—C321—C324—N308	9 (4)
C307—C309—C313—C312	178 (2)	C322—C321—C324—N309	−173 (3)
C307—C309—C310—C311	−175 (2)	C322—C321—C320—C319	−5 (4)
N317—C348—C349—C345	6 (4)	C320—C321—C324—N308	−174 (2)
N317—C347—C346—C345	−4 (5)	C320—C321—C324—N309	4 (4)
N314—C342—C339—C340	22 (3)	C320—C321—C322—C323	2 (5)
N314—C342—C339—C338	−158 (3)	C355—N319—C359—C358	−6 (5)
N304—C308—N302—C306	−1 (3)	C359—N319—C355—C356	9 (5)
N304—C308—C316—C317	−15 (3)	C354—N318—C350—C351	−8 (4)
N304—C308—C316—C315	158 (3)	C341—N313—C337—C338	−15 (5)
N304—C307—N303—C306	3 (3)	C330—N311—C329—C328	−2 (4)
N304—C307—C309—C313	−8 (3)	C350—N318—C354—C353	9 (4)
N304—C307—C309—C310	172 (2)	C365—N323—C366—C367	−7 (5)
N305—C311—C310—C309	−3 (4)	C368—N324—C372—C371	−5 (6)
N318—C350—C351—C352	−1 (5)	C356—C357—C358—C359	1 (5)
N316—C343—N315—C342	4 (3)	C364—C363—C367—C366	−6 (5)
N316—C343—C345—C349	−2 (4)	C339—C338—C337—N313	8 (6)
N316—C343—C345—C346	179 (2)	C351—C352—C344—N314	8 (3)
N307—C323—C322—C321	−3 (5)	C351—C352—C344—N316	−175 (2)
N307—C319—C320—C321	9 (4)	C351—C352—C353—C354	−8 (4)
N313—C341—C340—C339	−12 (6)	C311—N305—C312—C313	7 (3)
N323—C366—C367—C363	8 (6)	C367—C363—C364—C365	4 (4)
N323—C365—C364—C363	−4 (5)	C310—C309—C313—C312	−2 (4)
N320—C362—C370—C371	178 (3)	C340—C339—C338—C337	−1 (5)
N320—C362—C370—C369	3 (4)	C338—C339—C340—C341	2 (4)
N320—C360—C357—C358	11 (5)	C337—N313—C341—C340	18 (5)
N320—C360—C357—C356	−172 (3)	C301—N301—C305—C304	0 (7)
N303—C307—N304—C308	−6 (3)	C301—N301—C405—C404	53 (11)
N303—C307—C309—C313	172 (2)	C302—C303—C304—C305	−2 (7)
N303—C307—C309—C310	−7 (3)	C302—C303—C404—C405	−7 (13)
N303—C306—C303—C302	19 (4)	C305—N301—C301—C302	−6 (6)
N303—C306—C303—C304	−164 (4)	C347—N317—C348—C349	−2 (4)
N303—C306—C303—C404	170 (8)	C318—N306—C314—C315	6 (6)
N302—C308—N304—C307	5 (3)	C8A—C7A—C12A—O3A	−178 (2)
N302—C308—C316—C317	164 (2)	C8A—C7A—C12A—C11A	−3 (6)
N302—C308—C316—C315	−23 (4)	C8A—C7A—C4A—C3A	−106 (4)
N302—C306—C303—C302	−163 (3)	C8A—C7A—C4A—C5A	75 (4)
N302—C306—C303—C304	14 (5)	C8A—C9A—C10A—C11A	−4 (6)
N302—C306—C303—C404	−12 (9)	C304—C303—C302—C301	−4 (6)
C352—C353—C354—N318	−1 (4)	C346—C345—C349—C348	−9 (4)
C343—N316—C344—N314	−1 (3)	C1A—C6A—C5A—C4A	−3 (6)
C343—N316—C344—C352	−177.6 (18)	C1A—C6A—C5A—C13A	−175 (4)
C343—N315—C342—N314	−5 (3)	C7A—C8A—C9A—C10A	4 (6)
C343—N315—C342—C339	−179 (2)	C7A—C12A—C11A—C10A	3 (6)
C343—C345—C349—C348	172 (2)	C6A—C1A—C2A—C3A	1 (5)
C343—C345—C346—C347	−173 (3)	C6A—C5A—C4A—C3A	3 (6)
C325—N309—C324—N308	−5 (3)	C6A—C5A—C4A—C7A	−178 (3)
C325—N309—C324—C321	177 (2)	C6A—C5A—C13A—O1A	−28 (6)
C325—N310—C326—N308	−6 (4)	C12A—C7A—C4A—C3A	68 (4)
C325—N310—C326—C334	175 (2)	C12A—C7A—C4A—C5A	−111 (4)
C325—C327—C331—C330	179 (3)	C4A—C3A—C2A—C1A	−1 (5)
C326—N308—C324—N309	−1 (3)	C4A—C7A—C12A—O3A	9 (5)
C326—N308—C324—C321	177 (2)	C4A—C7A—C12A—C11A	−177 (3)
C326—N310—C325—N309	−1 (4)	C4A—C5A—C13A—O1A	160 (3)
C326—N310—C325—C327	−173 (2)	C2A—C3A—C4A—C7A	180 (3)
C326—C334—C333—C332	174 (2)	C2A—C3A—C4A—C5A	−1 (5)
C326—C334—C335—C336	−178 (3)	C2A—C1A—C6A—C5A	1 (5)
C344—N314—C342—N315	2 (3)	C9A—C8A—C7A—C12A	0 (5)
C344—N314—C342—C339	176.8 (18)	C9A—C8A—C7A—C4A	174 (3)
C344—N316—C343—N315	−2 (3)	C9A—C10A—C11A—C12A	1 (6)
C344—N316—C343—C345	175.4 (18)	C315—C316—C317—C318	−1 (4)
C344—C352—C353—C354	177 (2)	C13A—C5A—C4A—C3A	175 (3)
C344—C352—C351—C350	−175 (2)	C13A—C5A—C4A—C7A	−6 (5)
N322—C362—C370—C371	−2 (4)	C15A—O3A—C12A—C7A	168 (3)
N322—C362—C370—C369	−177 (3)	C15A—O3A—C12A—C11A	−6 (5)
N322—C361—C363—C364	−170 (3)	Zn46—N318—C354—C353	−174 (2)
N322—C361—C363—C367	−1 (4)	Zn46—N318—C350—C351	175 (2)
N319—C355—C356—C357	−6 (6)	Zn46—N319—C355—C356	−167 (3)
C328—C327—C331—C330	2 (5)	Zn46—N319—C359—C358	170 (3)
C324—N308—C326—N310	7 (4)	Zn42—N307—C323—C322	−176 (2)
C324—N308—C326—C334	−175 (2)	Zn42—N307—C319—C320	173 (2)
C324—N309—C325—N310	7 (4)	Zn42—N306—C318—C317	179 (2)
C324—N309—C325—C327	179 (2)	Zn42—N306—C314—C315	179 (3)
C324—C321—C322—C323	180 (3)	Zn33—N311—C329—C328	−178 (2)
C324—C321—C320—C319	178 (3)	Zn33—N311—C330—C331	175 (2)
N315—C343—C345—C349	176 (2)	Zn33^v—N305—C312—C313	−170.0 (16)
N315—C343—C345—C346	−3 (4)	Zn33^v—N305—C311—C310	173 (2)
N315—C342—C339—C340	−162 (3)	Zn35^iv—N324—C372—C371	168 (3)
N315—C342—C339—C338	17 (4)	Zn35^iv—N324—C368—C369	−177 (2)
C306—C303—C302—C301	173 (3)	Zn35—N317—C348—C349	−171.2 (18)
C306—C303—C304—C305	−179 (4)	Zn35—N317—C347—C346	172 (2)
C306—C303—C404—C405	−161 (8)	Zn41^vi—N323—C366—C367	178 (3)
C316—C308—N304—C307	−175.7 (19)	Zn41^vi—N323—C365—C364	−180 (2)
C316—C308—N302—C306	179.0 (19)	Zn41—N301—C301—C302	175 (3)
C316—C317—C318—N306	6 (4)	Zn41—N301—C405—C404	−166 (7)
C316—C315—C314—N306	−2 (7)	Zn56—N318—C354—C353	180 (4)
C309—C307—N304—C308	174.8 (18)	Zn56—N318—C350—C351	−173 (5)
C309—C307—N303—C306	−177.4 (19)	Zn56—N319—C355—C356	−152 (4)
C309—C313—C312—N305	−4 (4)	Zn56—N319—C359—C358	148 (4)
C336—N312—C332—C333	−2 (4)	Zn34—N312—C336—C335	177 (2)
N301—C301—C302—C303	8 (6)	Zn34—N312—C332—C333	178 (2)
N301—C305—C304—C303	4 (8)	Zn34—N313—C341—C340	−175 (3)
C345—C343—N315—C342	−173 (2)	Zn34—N313—C337—C338	178 (3)
C362—N320—C360—N321	8 (4)	Zn52—N307—C323—C322	165 (4)
C362—N320—C360—C357	176 (3)	Zn52—N307—C319—C320	−173 (3)
C362—N322—C361—N321	−13 (4)	Zn52—N306—C318—C317	179 (2)
C362—N322—C361—C363	175 (2)	Zn52—N306—C314—C315	−178 (4)
C362—C370—C369—C368	177 (3)	Zn54—N312—C336—C335	164 (3)
C327—C328—C329—N311	6 (5)	Zn54—N312—C332—C333	−157 (3)
C327—C331—C330—N311	2 (5)	C14A—O2A—C8A—C7A	−179 (4)
C371—C370—C369—C368	2 (5)	C14A—O2A—C8A—C9A	3 (6)
C313—C309—C310—C311	6 (4)	C314—N306—C318—C317	−8 (5)
C303—C404—C405—N301	−31 (16)	C404—C303—C302—C301	19 (8)
C332—N312—C336—C335	−3 (5)	C405—N301—C301—C302	−42 (6)
C312—N305—C311—C310	−4 (4)	C801—C802—C803—C804	55 (5)
C348—N317—C347—C346	1 (5)	C802—C801—C806—C805	55 (5)
C360—N321—C361—N322	14 (4)	C802—C803—C804—C805	−54 (5)
C360—N321—C361—C363	−174 (2)	C803—C804—C805—C806	54 (5)
C360—N320—C362—N322	−6 (4)	C804—C805—C806—C801	−54 (5)
C360—N320—C362—C370	174 (3)	C806—C801—C802—C803	−56 (5)
C360—C357—C358—C359	179 (3)

Symmetry codes: (i) x−1/2, −y+1, z−1/2; (ii) x+1/2, −y, z+1/2; (iii) x, y+1, z+1; (iv) x−1/2, −y, z−1/2; (v) x+1/2, −y+1, z+1/2; (vi) x, y−1, z−1.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (25_5_96a)

Crystal data

C108H72I18N36Zn9·0.676(C15H16O3)	F(000) = 18271
Mr = 4911.63	Dx = 1.349 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 78.813 (2) Å	Cell parameters from 14516 reflections
b = 14.9644 (3) Å	θ = 2.3–65.1°
c = 41.6570 (9) Å	µ = 19.30 mm^−1
β = 100.061 (2)°	T = 100 K
V = 48374 (2) Å^3	Block, light yellow
Z = 8	0.21 × 0.11 × 0.06 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	43411 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	27554 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.079
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.2°
profile data from ω–scans	h = −94→94
Absorption correction: gaussian CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Numerical absorption correction based on gaussian integration over a multifaceted crystal model Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −17→17
Tmin = 0.074, Tmax = 0.472	l = −50→49
173702 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.142	H-atom parameters constrained
wR(F^2) = 0.440	w = 1/[σ^2(Fo^2) + (0.2312P)^2 + 1658.0601P] where P = (Fo^2 + 2Fc^2)/3
S = 1.02	(Δ/σ)max = 0.005
43411 reflections	Δρmax = 1.74 e Å^−3
1929 parameters	Δρmin = −1.27 e Å^−3
684 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I404	0.41409 (8)	0.0023 (3)	0.74169 (17)	0.063 (2)	0.53 (4)
I307	0.54836 (14)	−0.3917 (11)	0.7175 (4)	0.114 (4)	0.54 (4)
I405	0.5615 (4)	0.4505 (18)	0.8420 (4)	0.195 (9)	0.29 (3)
I406	0.55881 (8)	0.4678 (5)	0.94620 (19)	0.061 (3)	0.29 (3)
I308	0.60257 (13)	−0.4649 (6)	0.76594 (19)	0.082 (2)	0.54 (4)
I316	0.89802 (3)	0.47434 (13)	0.59145 (6)	0.0713 (8)	0.715 (9)
I301	0.37913 (5)	0.1025 (2)	0.39910 (6)	0.0885 (11)	0.763 (13)
I403	0.36555 (7)	0.1570 (6)	0.74525 (17)	0.080 (2)	0.53 (4)
I302	0.43290 (6)	−0.0005 (2)	0.43308 (8)	0.1005 (12)	0.763 (13)
I310	0.58054 (12)	0.4943 (5)	0.5566 (2)	0.113 (2)	0.5245
I318	0.74761 (19)	0.0219 (7)	0.3959 (3)	0.105 (3)	0.54 (6)
I309	0.53386 (7)	0.3306 (6)	0.56822 (18)	0.1015 (18)	0.5245
I315	0.89373 (3)	0.39362 (14)	0.48822 (6)	0.0849 (9)	0.715 (9)
I317	0.69850 (13)	0.1650 (12)	0.4049 (2)	0.103 (3)	0.54 (6)
I312	0.73003 (3)	0.00757 (19)	0.75253 (10)	0.0807 (11)	0.592 (10)
I311	0.72842 (5)	0.0804 (2)	0.64904 (9)	0.0949 (12)	0.592 (10)
I313	0.71845 (4)	0.89252 (19)	0.55685 (6)	0.1503 (12)	0.860 (2)
Zn34	0.57825 (9)	−0.3546 (5)	0.7477 (2)	0.072 (4)	0.54 (4)
I314	0.77200 (5)	0.97478 (16)	0.60295 (7)	0.1735 (16)	0.860 (2)
Zn42	0.39681 (7)	0.1473 (5)	0.73948 (15)	0.052 (3)	0.53 (4)
Zn43	0.54732 (11)	0.4072 (7)	0.8899 (3)	0.057 (5)	0.29 (3)
Zn35	0.56437 (14)	0.3479 (11)	0.5565 (5)	0.0878 (10)	0.5245
Zn31	0.41029 (9)	0.1192 (4)	0.42479 (11)	0.0720 (15)	0.763 (13)
Zn39	0.72936 (16)	0.1628 (8)	0.3948 (4)	0.100 (6)	0.54 (6)
Zn38	0.88484 (6)	0.3766 (4)	0.54342 (12)	0.0673 (11)	0.715 (9)
Zn36	0.71807 (7)	0.1009 (4)	0.70239 (15)	0.0717 (14)	0.592 (10)
Zn37	0.74847 (7)	0.8623 (2)	0.58742 (10)	0.1183 (16)	0.860 (2)
N315	0.5564 (2)	−0.0556 (8)	0.9224 (3)	0.059 (3)
N312	0.5216 (2)	0.4226 (9)	0.8821 (3)	0.072 (4)
N310	0.4598 (3)	0.5378 (9)	0.8728 (3)	0.072 (4)
N313	0.5495 (2)	0.2673 (10)	0.8899 (3)	0.075 (4)
N319	0.5891 (2)	−0.2563 (9)	0.7230 (3)	0.067 (4)
N316	0.5637 (2)	−0.1887 (8)	0.8969 (3)	0.061 (3)
N318	0.5733 (2)	−0.2838 (9)	0.7864 (3)	0.070 (4)
N314	0.5581 (2)	−0.0569 (7)	0.8658 (3)	0.059 (3)
N328	0.7328 (2)	0.6908 (9)	0.7371 (4)	0.070 (4)
N304	0.3963 (2)	0.4293 (9)	0.6028 (3)	0.068 (4)
N309	0.4327 (2)	0.4859 (9)	0.8474 (3)	0.071 (4)
N302	0.4025 (2)	0.2911 (9)	0.5801 (3)	0.078 (5)
N307	0.4098 (2)	0.2306 (9)	0.7732 (3)	0.060 (3)
N327	0.7248 (2)	0.5555 (9)	0.7596 (4)	0.069 (4)
N311	0.4207 (3)	0.7777 (11)	0.8996 (4)	0.078 (5)
N301	0.4100 (3)	0.1867 (9)	0.4677 (4)	0.083 (5)
N305	0.3874 (3)	0.7407 (11)	0.5551 (4)	0.089 (5)
N321	0.6032 (2)	0.0240 (9)	0.6670 (3)	0.066 (4)
N308	0.4573 (3)	0.4033 (8)	0.8414 (3)	0.072 (5)
C352	0.5657 (2)	−0.1940 (10)	0.8404 (4)	0.061 (4)
N317	0.5643 (3)	−0.2795 (9)	1.0134 (3)	0.079 (5)
N323	0.5791 (3)	0.2673 (10)	0.5900 (4)	0.079 (4)
O3A	0.5224 (3)	0.0291 (12)	0.7923 (4)	0.083 (5)	0.6758
N306	0.4000 (2)	0.2123 (9)	0.6965 (4)	0.077 (5)
C341	0.5474 (2)	0.2221 (10)	0.8635 (4)	0.061 (4)
H341	0.544788	0.254013	0.843559	0.074*
C321	0.4299 (3)	0.3508 (10)	0.8150 (4)	0.067 (5)
C339	0.5529 (2)	0.0838 (10)	0.8919 (4)	0.058 (4)
C337	0.5537 (3)	0.2211 (11)	0.9192 (4)	0.073 (5)
H337	0.555431	0.254333	0.938910	0.087*
C325	0.4435 (3)	0.5432 (12)	0.8660 (4)	0.065 (4)
C322	0.4364 (3)	0.2750 (12)	0.8039 (4)	0.072 (5)
H322	0.448351	0.262544	0.810644	0.087*
N326	0.7283 (2)	0.5640 (10)	0.7041 (3)	0.067 (4)
O2A	0.5416 (2)	0.0708 (10)	0.6928 (4)	0.073 (5)	0.6758
C356	0.5885 (3)	−0.1384 (12)	0.6844 (5)	0.076 (5)
H356	0.582031	−0.104851	0.667111	0.091*
C326	0.4668 (3)	0.4660 (11)	0.8608 (4)	0.069 (5)
N335	0.8581 (2)	0.3915 (13)	0.5385 (5)	0.096 (5)
N303	0.3969 (2)	0.4168 (10)	0.5457 (3)	0.072 (4)
C353	0.5710 (3)	−0.2770 (12)	0.8428 (4)	0.079 (6)
H353	0.571978	−0.307179	0.863147	0.095*
N322	0.6278 (3)	0.1021 (12)	0.6596 (4)	0.087 (5)
C327	0.4352 (3)	0.6262 (11)	0.8762 (4)	0.070 (5)
N329	0.7299 (2)	0.7722 (11)	0.8523 (4)	0.084 (5)
C309	0.3921 (2)	0.5600 (10)	0.5685 (4)	0.062 (4)
N325	0.7200 (3)	0.2422 (13)	0.7154 (6)	0.102 (6)
C344	0.5620 (2)	−0.1452 (11)	0.8695 (3)	0.061 (4)
C360	0.6137 (3)	−0.0363 (10)	0.6846 (4)	0.062 (4)
C340	0.5487 (2)	0.1303 (12)	0.8619 (4)	0.067 (4)
H340	0.546800	0.099633	0.841588	0.080*
N333	0.7988 (3)	0.5178 (11)	0.5312 (5)	0.094 (6)
N320	0.6304 (2)	−0.0273 (10)	0.6911 (4)	0.073 (4)
C388	0.7363 (3)	0.7053 (12)	0.6818 (5)	0.077 (5)
C357	0.6057 (3)	−0.1163 (11)	0.6961 (4)	0.060 (4)
C345	0.5620 (2)	−0.1915 (11)	0.9543 (3)	0.060 (4)
C324	0.4406 (3)	0.4147 (11)	0.8368 (3)	0.058 (4)
C389	0.7411 (3)	0.7901 (13)	0.6850 (5)	0.077 (5)
H389	0.741420	0.819826	0.705242	0.093*
C354	0.5752 (3)	−0.3220 (12)	0.8156 (5)	0.088 (7)
H354	0.579533	−0.381271	0.818155	0.106*
C334	0.4862 (3)	0.4492 (11)	0.8688 (4)	0.068 (5)
N334	0.7943 (3)	0.3888 (13)	0.5002 (5)	0.092 (5)
O1A	0.4954 (2)	0.2466 (12)	0.7006 (5)	0.084 (6)	0.6758
H1A	0.491477	0.249914	0.680526	0.126*	0.6758
N336	0.7433 (3)	0.2429 (12)	0.4298 (4)	0.088 (5)
C316	0.4004 (3)	0.2966 (11)	0.6371 (4)	0.071 (5)
C379	0.7288 (2)	0.6393 (14)	0.7616 (4)	0.068 (5)
C375	0.7227 (2)	0.4231 (11)	0.7261 (5)	0.069 (5)
C323	0.4269 (3)	0.2170 (13)	0.7838 (4)	0.074 (5)
H323	0.432285	0.165369	0.776819	0.089*
C308	0.3997 (3)	0.3464 (11)	0.6051 (4)	0.073 (5)
N330	0.7468 (3)	0.7933 (11)	0.6313 (4)	0.115 (8)
C361	0.6108 (3)	0.0892 (12)	0.6541 (4)	0.067 (4)
C343	0.5603 (3)	−0.1406 (11)	0.9231 (3)	0.066 (5)
C304	0.4064 (3)	0.1877 (13)	0.5241 (4)	0.082 (6)
H304	0.406515	0.155723	0.543789	0.098*
C351	0.5636 (3)	−0.1512 (11)	0.8100 (4)	0.069 (5)
H351	0.559898	−0.090841	0.807765	0.083*
C342	0.5551 (3)	−0.0158 (12)	0.8935 (4)	0.064 (4)
C311	0.3854 (4)	0.6840 (14)	0.5314 (5)	0.097 (7)
H311	0.381781	0.704338	0.509642	0.117*
C355	0.5812 (3)	−0.2072 (12)	0.6975 (4)	0.073 (5)
H355	0.569733	−0.222472	0.688219	0.088*
C363	0.6003 (3)	0.1536 (13)	0.6336 (5)	0.078 (5)
C307	0.3940 (3)	0.4614 (11)	0.5723 (4)	0.072 (5)
C350	0.5671 (3)	−0.1980 (13)	0.7838 (4)	0.081 (6)
H350	0.565060	−0.170095	0.763011	0.097*
C396	0.7821 (3)	0.5289 (13)	0.5278 (5)	0.080 (6)
C320	0.4127 (3)	0.3619 (11)	0.8059 (4)	0.071 (5)
H320	0.407122	0.411196	0.814092	0.086*
C328	0.4182 (3)	0.6423 (14)	0.8688 (4)	0.085 (6)
H328	0.410900	0.603787	0.854450	0.102*
C318	0.3964 (4)	0.2970 (15)	0.6932 (4)	0.100 (8)
H318	0.393456	0.329111	0.711183	0.120*
C398	0.7779 (3)	0.4077 (15)	0.4959 (5)	0.087 (6)
N332	0.7706 (3)	0.4749 (12)	0.5093 (4)	0.088 (5)
C381	0.7288 (3)	0.6882 (13)	0.7929 (5)	0.081 (5)
C348	0.5694 (3)	−0.3146 (14)	0.9870 (5)	0.089 (7)
H348	0.574560	−0.372054	0.989333	0.106*
C364	0.5832 (3)	0.1665 (12)	0.6344 (4)	0.073 (4)
H364	0.578063	0.136536	0.650389	0.087*
C406	0.7662 (3)	0.3497 (16)	0.4733 (5)	0.090 (6)
C306	0.4003 (3)	0.3293 (11)	0.5519 (4)	0.068 (5)
N331	0.7634 (4)	0.7483 (19)	0.5698 (6)	0.150 (8)
C338	0.5553 (3)	0.1339 (12)	0.9210 (4)	0.076 (5)
H338	0.558037	0.105038	0.941555	0.091*
C310	0.3886 (3)	0.5946 (13)	0.5372 (5)	0.086 (6)
H310	0.388337	0.555319	0.519168	0.103*
C315	0.4035 (3)	0.2057 (13)	0.6411 (4)	0.080 (6)
H315	0.405447	0.170404	0.623114	0.096*
C373	0.7210 (3)	0.2726 (14)	0.7451 (7)	0.092 (7)
H373	0.720899	0.230917	0.762258	0.111*
C336	0.5131 (3)	0.4719 (13)	0.9024 (5)	0.081 (6)
H336	0.519396	0.496081	0.921931	0.097*
C349	0.5677 (3)	−0.2751 (10)	0.9573 (4)	0.069 (5)
H349	0.570574	−0.306560	0.939143	0.083*
C329	0.4114 (3)	0.7173 (14)	0.8827 (5)	0.080 (6)
H329	0.399226	0.723733	0.879499	0.097*
C303	0.4042 (3)	0.2777 (11)	0.5227 (4)	0.067 (5)
C380	0.7319 (3)	0.6529 (11)	0.7104 (5)	0.070 (5)
C313	0.3933 (3)	0.6226 (13)	0.5931 (5)	0.091 (7)
H313	0.395876	0.603934	0.615225	0.109*
C312	0.3907 (3)	0.7101 (14)	0.5860 (5)	0.083 (6)
H312	0.391171	0.751632	0.603373	0.099*
C319	0.4037 (3)	0.3057 (15)	0.7861 (5)	0.086 (6)
H319	0.391718	0.317758	0.780050	0.103*
C362	0.6373 (3)	0.0443 (14)	0.6778 (5)	0.082 (6)
C331	0.4460 (3)	0.6895 (14)	0.8944 (6)	0.091 (6)
H331	0.458184	0.684596	0.898172	0.109*
C370	0.6563 (3)	0.0554 (15)	0.6863 (7)	0.101 (6)
C7A	0.5317 (2)	0.0477 (10)	0.7420 (4)	0.062 (5)	0.6758
C397	0.8041 (3)	0.4468 (15)	0.5190 (5)	0.091 (6)
C314	0.4038 (3)	0.1670 (13)	0.6710 (4)	0.085 (6)
H314	0.406756	0.105645	0.673759	0.102*
C382	0.7243 (3)	0.6462 (14)	0.8197 (5)	0.091 (7)
H382	0.721042	0.585040	0.817726	0.109*
C5A	0.5235 (3)	0.2091 (11)	0.7325 (5)	0.064 (6)	0.6758
C346	0.5565 (3)	−0.1519 (11)	0.9810 (4)	0.089 (7)
H346	0.551923	−0.092951	0.979339	0.106*
C390	0.7459 (3)	0.8370 (13)	0.6578 (6)	0.097 (7)
H390	0.748396	0.899149	0.659248	0.117*
C394	0.7583 (5)	0.6373 (18)	0.5301 (7)	0.119 (7)
H394	0.750890	0.604758	0.513757	0.143*
C359	0.6064 (3)	−0.2355 (13)	0.7341 (5)	0.080 (6)
H359	0.612620	−0.268551	0.751780	0.096*
C384	0.7337 (4)	0.8168 (14)	0.8281 (6)	0.101 (8)
H384	0.736893	0.877828	0.831136	0.122*
C333	0.4941 (3)	0.3970 (15)	0.8492 (5)	0.090 (7)
H333	0.487533	0.369339	0.830551	0.108*
C374	0.7221 (3)	0.3628 (14)	0.7526 (6)	0.093 (7)
H374	0.722354	0.383691	0.774186	0.112*
N324	0.6913 (3)	0.0833 (13)	0.6989 (7)	0.127 (7)
C335	0.4959 (3)	0.4866 (15)	0.8949 (5)	0.081 (6)
H335	0.490554	0.524351	0.908615	0.097*
C365	0.5731 (3)	0.2233 (13)	0.6119 (5)	0.084 (5)
H365	0.561206	0.229543	0.613053	0.101*
C317	0.3967 (3)	0.3422 (13)	0.6637 (5)	0.085 (6)
H317	0.394303	0.404430	0.662177	0.102*
C404	0.7374 (4)	0.3031 (17)	0.4494 (6)	0.105 (7)
H404	0.725382	0.312550	0.447545	0.126*
C405	0.7486 (3)	0.3504 (16)	0.4718 (5)	0.092 (6)
H405	0.743999	0.385788	0.487151	0.111*
C378	0.7244 (3)	0.5220 (13)	0.7306 (5)	0.078 (5)
C6A	0.5268 (3)	0.2991 (11)	0.7391 (5)	0.071 (6)	0.6758
H6A	0.519198	0.342804	0.727942	0.085*	0.6758
C393	0.7752 (4)	0.6086 (19)	0.5394 (7)	0.118 (7)
C358	0.6148 (3)	−0.1692 (13)	0.7204 (5)	0.078 (5)
H358	0.626780	−0.159754	0.727468	0.094*
C1A	0.5410 (3)	0.3260 (12)	0.7617 (5)	0.065 (6)	0.6758
H1AA	0.543389	0.387769	0.765262	0.078*	0.6758
C305	0.4086 (3)	0.1445 (14)	0.4960 (4)	0.094 (7)
H305	0.409063	0.081120	0.496349	0.113*
C385	0.7332 (3)	0.7777 (14)	0.7972 (5)	0.092 (7)
H385	0.735923	0.812011	0.779517	0.111*
C4A	0.5347 (3)	0.1461 (9)	0.7495 (5)	0.057 (5)	0.6758
C302	0.4043 (5)	0.3240 (13)	0.4948 (5)	0.129 (12)
H302	0.402167	0.386413	0.493414	0.155*
C2A	0.5517 (3)	0.2626 (11)	0.7791 (5)	0.060 (6)	0.6758
H2A	0.561213	0.280882	0.795033	0.072*	0.6758
C399	0.8231 (3)	0.4258 (17)	0.5272 (6)	0.094 (6)
C376	0.7211 (3)	0.3842 (14)	0.6940 (7)	0.102 (7)
H376	0.720799	0.421933	0.675577	0.122*
C12A	0.5260 (3)	−0.0091 (11)	0.7643 (5)	0.073 (6)	0.6758
C301	0.4078 (4)	0.2748 (13)	0.4684 (4)	0.117 (10)
H301	0.408702	0.307060	0.449074	0.140*
C3A	0.5485 (3)	0.1718 (12)	0.7733 (5)	0.059 (5)	0.6758
H3A	0.555591	0.128051	0.785469	0.070*	0.6758
C8A	0.5360 (3)	0.0109 (11)	0.7137 (5)	0.071 (6)	0.6758
C332	0.5120 (4)	0.3840 (15)	0.8569 (5)	0.097 (7)
H332	0.517427	0.346030	0.843365	0.117*
C377	0.7199 (4)	0.2918 (15)	0.6898 (8)	0.115 (9)
H377	0.719080	0.265917	0.668758	0.138*
C11A	0.5243 (3)	−0.0998 (12)	0.7584 (5)	0.077 (8)	0.6758
H11A	0.520144	−0.137684	0.773643	0.092*	0.6758
C9A	0.5345 (3)	−0.0799 (12)	0.7082 (6)	0.088 (9)	0.6758
H9A	0.537481	−0.104462	0.688890	0.106*	0.6758
C383	0.7243 (4)	0.6878 (15)	0.8491 (6)	0.109 (9)
H383	0.720416	0.657686	0.866540	0.131*
C347	0.5576 (5)	−0.1977 (13)	1.0094 (5)	0.126 (11)
H347	0.553345	−0.170577	1.027066	0.151*
C401	0.8502 (4)	0.447 (2)	0.5564 (7)	0.125 (8)
H401	0.857014	0.473859	0.575013	0.150*
C368	0.6829 (4)	0.031 (2)	0.7187 (10)	0.152 (10)
H368	0.689247	0.005764	0.738109	0.183*
C15A	0.5153 (4)	−0.024 (2)	0.8148 (9)	0.094 (10)	0.6758
H15A	0.505153	−0.055635	0.803336	0.141*	0.6758
H15B	0.511795	0.015235	0.831505	0.141*	0.6758
H15C	0.523864	−0.066597	0.825186	0.141*	0.6758
C330	0.4373 (5)	0.7615 (19)	0.9069 (6)	0.126 (11)
H330	0.444050	0.801165	0.921679	0.152*
C387	0.7369 (4)	0.6585 (15)	0.6527 (6)	0.117 (10)
H387	0.734410	0.596499	0.650270	0.141*
C386	0.7415 (6)	0.7088 (17)	0.6282 (7)	0.162 (15)
H386	0.740850	0.681396	0.607479	0.194*
C13A	0.5088 (3)	0.1807 (14)	0.7062 (6)	0.075 (7)	0.6758
H13A	0.513204	0.170167	0.685728	0.090*	0.6758
H13B	0.503950	0.123716	0.712687	0.090*	0.6758
C403	0.8312 (4)	0.368 (2)	0.5072 (7)	0.126 (8)
H403	0.824275	0.337911	0.489326	0.151*
C369	0.6660 (4)	0.015 (2)	0.7105 (9)	0.139 (9)
H369	0.660907	−0.027667	0.722836	0.167*
C371	0.6643 (3)	0.1095 (19)	0.6662 (8)	0.124 (8)
H371	0.657721	0.135193	0.647220	0.149*
C395	0.7515 (5)	0.7162 (19)	0.5446 (7)	0.130 (8)
H395	0.740362	0.741246	0.537537	0.155*
C391	0.7793 (5)	0.730 (2)	0.5802 (9)	0.154 (10)
H391	0.786543	0.759318	0.597574	0.185*
C402	0.8492 (4)	0.353 (2)	0.5134 (8)	0.126 (8)
H402	0.854628	0.316449	0.499540	0.152*
C366	0.5961 (4)	0.2524 (18)	0.5870 (6)	0.110 (7)
H366	0.600362	0.281246	0.569753	0.132*
C372	0.6825 (4)	0.127 (2)	0.6739 (9)	0.139 (9)
H372	0.687881	0.168123	0.661580	0.167*
C367	0.6067 (3)	0.2005 (18)	0.6068 (6)	0.105 (7)
H367	0.618315	0.193385	0.603924	0.127*
C10A	0.5287 (4)	−0.1352 (15)	0.7304 (6)	0.106 (10)	0.6758
H10A	0.527682	−0.197621	0.726411	0.128*	0.6758
C400	0.8337 (4)	0.469 (2)	0.5503 (7)	0.121 (8)
H400	0.829444	0.514722	0.562389	0.145*
C407	0.7715 (4)	0.292 (2)	0.4513 (8)	0.155 (15)
H407	0.783598	0.284499	0.452408	0.186*
C408	0.7611 (4)	0.245 (3)	0.4284 (9)	0.165 (16)
H408	0.765575	0.213801	0.411773	0.198*
C14A	0.5474 (5)	0.036 (2)	0.6648 (10)	0.107 (11)	0.6758
H14A	0.537466	0.013265	0.649427	0.161*	0.6758
H14B	0.555588	−0.012309	0.671286	0.161*	0.6758
H14C	0.552961	0.083834	0.654321	0.161*	0.6758
C392	0.7839 (5)	0.664 (2)	0.5633 (8)	0.142 (8)
H392	0.795942	0.652043	0.568306	0.170*
I418	0.7426 (5)	0.0115 (10)	0.3960 (3)	0.134 (5)	0.46 (6)
Zn49	0.72799 (17)	0.1619 (8)	0.3975 (4)	0.081 (5)	0.46 (6)
I417	0.69701 (19)	0.187 (2)	0.4049 (4)	0.140 (6)	0.46 (6)
I402	0.4385 (3)	0.0261 (11)	0.4374 (5)	0.179 (8)	0.237 (13)
Zn41	0.4140 (2)	0.1362 (14)	0.4230 (4)	0.112 (11)	0.237 (13)
I401	0.3845 (2)	0.0958 (9)	0.3909 (4)	0.190 (8)	0.237 (13)
I407	0.54841 (13)	−0.3834 (10)	0.7113 (3)	0.082 (2)	0.46 (4)
Zn44	0.57737 (16)	−0.3535 (5)	0.7454 (2)	0.101 (7)	0.46 (4)
I408	0.5982 (3)	−0.4801 (10)	0.7679 (3)	0.134 (4)	0.46 (4)
I409	0.53319 (14)	0.3461 (9)	0.5646 (2)	0.185 (5)	0.4755
Zn45	0.56439 (15)	0.3457 (12)	0.5557 (5)	0.0878 (10)	0.4755
I410	0.58199 (19)	0.4864 (6)	0.5533 (2)	0.180 (6)	0.4755
I414	0.79011 (11)	0.9381 (7)	0.6352 (2)	0.080*	0.140 (2)
Zn47	0.76333 (19)	0.8693 (11)	0.6043 (4)	0.080*	0.140 (2)
I413	0.73923 (12)	0.9544 (7)	0.5673 (2)	0.080*	0.140 (2)
I306	0.55935 (8)	0.4654 (3)	0.94685 (13)	0.136 (4)	0.71 (3)
Zn33	0.54773 (9)	0.4053 (4)	0.89061 (14)	0.094 (3)	0.71 (3)
I305	0.55854 (5)	0.4647 (2)	0.84104 (8)	0.0760 (17)	0.71 (3)
I303	0.36385 (18)	0.1699 (14)	0.7392 (5)	0.149 (5)	0.47 (4)
Zn32	0.39570 (19)	0.1523 (8)	0.7383 (3)	0.126 (8)	0.47 (4)
I304	0.4110 (3)	0.0032 (5)	0.7360 (4)	0.140 (5)	0.47 (4)
I415	0.8945 (2)	0.4408 (14)	0.5072 (6)	0.249 (10)	0.285 (9)
Zn48	0.8837 (2)	0.3859 (13)	0.5570 (5)	0.168 (11)	0.285 (9)
I416	0.89389 (18)	0.4621 (8)	0.6107 (5)	0.190 (7)	0.285 (9)
I412	0.72753 (11)	0.0314 (6)	0.7763 (5)	0.195 (7)	0.408 (10)
Zn46	0.71695 (14)	0.1000 (6)	0.7209 (4)	0.131 (5)	0.408 (10)
I411	0.72852 (11)	0.0511 (6)	0.6708 (5)	0.197 (6)	0.408 (10)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I404	0.103 (5)	0.0450 (19)	0.045 (2)	−0.0081 (13)	0.0225 (15)	0.0049 (11)
I307	0.176 (6)	0.091 (4)	0.092 (6)	−0.038 (3)	0.073 (4)	−0.038 (4)
I405	0.251 (18)	0.137 (12)	0.215 (15)	−0.044 (11)	0.090 (12)	0.050 (11)
I406	0.057 (5)	0.043 (4)	0.077 (5)	0.006 (3)	−0.001 (3)	−0.005 (4)
I308	0.156 (5)	0.036 (2)	0.071 (3)	0.016 (2)	0.063 (3)	0.0225 (13)
I316	0.0812 (13)	0.0434 (9)	0.0903 (15)	0.0007 (8)	0.0180 (9)	−0.0064 (9)
I301	0.132 (2)	0.0788 (14)	0.0639 (14)	−0.0303 (13)	0.0433 (12)	−0.0255 (9)
I403	0.081 (4)	0.099 (3)	0.061 (3)	−0.011 (2)	0.0115 (18)	0.0160 (18)
I302	0.168 (3)	0.0375 (14)	0.1087 (18)	−0.0019 (14)	0.0588 (18)	0.0125 (11)
I310	0.219 (6)	0.048 (3)	0.074 (5)	−0.004 (3)	0.028 (3)	−0.006 (2)
I318	0.132 (7)	0.068 (3)	0.114 (4)	−0.004 (3)	0.017 (4)	0.024 (3)
I309	0.094 (3)	0.129 (4)	0.080 (4)	0.022 (3)	0.011 (2)	−0.043 (3)
I315	0.1346 (18)	0.0441 (11)	0.0837 (15)	0.0051 (10)	0.0405 (12)	0.0147 (8)
I317	0.112 (4)	0.112 (5)	0.084 (4)	−0.024 (3)	0.012 (4)	0.022 (2)
I312	0.0684 (15)	0.0603 (14)	0.110 (2)	−0.0005 (10)	0.0063 (13)	0.0194 (14)
I311	0.116 (2)	0.0734 (18)	0.102 (2)	−0.0120 (15)	0.0366 (16)	−0.0012 (14)
I313	0.229 (3)	0.124 (2)	0.1107 (16)	0.0673 (19)	0.0651 (18)	0.0438 (14)
Zn34	0.096 (6)	0.052 (7)	0.080 (7)	−0.011 (4)	0.047 (4)	−0.017 (4)
I314	0.315 (4)	0.0843 (15)	0.158 (2)	−0.063 (2)	0.145 (3)	−0.0450 (15)
Zn42	0.072 (5)	0.048 (5)	0.035 (4)	−0.010 (3)	0.012 (3)	0.000 (3)
Zn43	0.040 (6)	0.030 (9)	0.098 (10)	0.012 (5)	−0.002 (6)	0.005 (7)
Zn35	0.170 (3)	0.0479 (14)	0.0439 (13)	0.0214 (15)	0.0136 (14)	−0.0039 (11)
Zn31	0.137 (4)	0.035 (2)	0.056 (2)	−0.021 (3)	0.050 (3)	−0.0065 (15)
Zn39	0.161 (13)	0.077 (8)	0.060 (6)	−0.053 (8)	0.012 (6)	−0.001 (5)
Zn38	0.086 (3)	0.043 (2)	0.075 (3)	−0.0001 (16)	0.0186 (19)	−0.0003 (18)
Zn36	0.069 (3)	0.056 (3)	0.091 (3)	−0.003 (2)	0.019 (2)	0.013 (2)
Zn37	0.220 (5)	0.061 (2)	0.094 (3)	0.008 (2)	0.083 (3)	0.0112 (18)
N315	0.112 (11)	0.032 (6)	0.040 (6)	−0.007 (6)	0.032 (7)	−0.013 (5)
N312	0.120 (13)	0.043 (8)	0.050 (7)	−0.004 (8)	0.003 (8)	−0.003 (6)
N310	0.135 (15)	0.040 (7)	0.045 (7)	0.009 (8)	0.025 (8)	0.008 (6)
N313	0.133 (14)	0.048 (8)	0.047 (7)	0.009 (8)	0.025 (8)	0.012 (6)
N319	0.106 (12)	0.052 (8)	0.048 (7)	0.010 (8)	0.029 (7)	0.011 (6)
N316	0.108 (11)	0.037 (7)	0.041 (6)	0.003 (7)	0.021 (7)	−0.004 (5)
N318	0.135 (13)	0.036 (7)	0.047 (7)	0.003 (7)	0.036 (8)	0.005 (5)
N314	0.117 (11)	0.014 (5)	0.052 (7)	−0.003 (6)	0.029 (7)	−0.013 (5)
N328	0.111 (12)	0.041 (7)	0.064 (9)	0.003 (7)	0.036 (8)	0.009 (6)
N304	0.115 (12)	0.051 (8)	0.046 (7)	0.002 (8)	0.032 (7)	0.007 (6)
N309	0.131 (13)	0.034 (7)	0.053 (7)	−0.008 (7)	0.025 (8)	−0.001 (6)
N302	0.147 (15)	0.039 (7)	0.051 (8)	−0.014 (8)	0.028 (8)	−0.021 (6)
N307	0.096 (11)	0.041 (7)	0.047 (7)	−0.005 (7)	0.021 (7)	−0.013 (5)
N327	0.098 (11)	0.040 (7)	0.076 (9)	0.010 (7)	0.038 (8)	0.018 (7)
N311	0.128 (14)	0.052 (9)	0.066 (9)	0.007 (10)	0.048 (10)	0.003 (7)
N301	0.162 (16)	0.034 (7)	0.060 (8)	−0.017 (8)	0.041 (9)	−0.012 (6)
N305	0.136 (15)	0.050 (9)	0.087 (12)	−0.008 (9)	0.038 (11)	0.010 (8)
N321	0.092 (10)	0.052 (8)	0.059 (8)	0.020 (7)	0.030 (7)	0.020 (6)
N308	0.150 (16)	0.034 (7)	0.033 (6)	0.003 (8)	0.019 (8)	−0.003 (5)
C352	0.108 (13)	0.031 (7)	0.050 (8)	0.001 (8)	0.030 (8)	−0.022 (6)
N317	0.158 (16)	0.038 (7)	0.046 (7)	−0.004 (8)	0.031 (8)	0.001 (6)
N323	0.132 (10)	0.050 (8)	0.055 (7)	−0.010 (8)	0.013 (8)	0.001 (6)
O3A	0.128 (15)	0.058 (11)	0.058 (10)	−0.001 (10)	0.006 (10)	0.024 (8)
N306	0.135 (14)	0.037 (7)	0.065 (9)	−0.013 (8)	0.034 (9)	−0.024 (6)
C341	0.098 (13)	0.032 (8)	0.053 (9)	0.003 (8)	0.010 (8)	−0.002 (6)
C321	0.123 (16)	0.035 (8)	0.043 (8)	0.003 (9)	0.018 (9)	0.002 (6)
C339	0.100 (12)	0.034 (7)	0.045 (8)	0.004 (7)	0.028 (8)	−0.008 (6)
C337	0.119 (15)	0.044 (9)	0.053 (9)	0.010 (9)	0.010 (9)	0.003 (7)
C325	0.098 (14)	0.051 (10)	0.049 (9)	0.003 (9)	0.020 (9)	−0.002 (7)
C322	0.101 (14)	0.056 (10)	0.066 (11)	0.008 (9)	0.031 (10)	−0.002 (8)
N326	0.099 (11)	0.051 (8)	0.054 (7)	−0.004 (7)	0.017 (7)	0.012 (6)
O2A	0.097 (12)	0.034 (8)	0.092 (12)	0.000 (8)	0.029 (10)	−0.022 (8)
C356	0.122 (17)	0.052 (10)	0.061 (10)	−0.001 (10)	0.037 (11)	−0.005 (8)
C326	0.124 (16)	0.047 (9)	0.041 (8)	−0.001 (9)	0.029 (9)	−0.004 (7)
N335	0.095 (11)	0.076 (11)	0.113 (13)	0.000 (8)	0.002 (8)	−0.004 (9)
N303	0.118 (12)	0.053 (8)	0.047 (7)	−0.011 (8)	0.022 (8)	−0.010 (6)
C353	0.148 (18)	0.048 (10)	0.057 (10)	0.005 (10)	0.061 (11)	0.014 (8)
N322	0.106 (14)	0.074 (11)	0.081 (11)	0.011 (10)	0.016 (10)	0.022 (9)
C327	0.133 (18)	0.039 (9)	0.042 (8)	−0.002 (10)	0.024 (10)	0.002 (6)
N329	0.123 (14)	0.055 (9)	0.076 (10)	0.006 (9)	0.024 (9)	0.014 (8)
C309	0.091 (12)	0.034 (8)	0.064 (10)	0.004 (8)	0.021 (9)	0.000 (7)
N325	0.107 (14)	0.072 (13)	0.128 (18)	−0.015 (10)	0.020 (13)	−0.021 (12)
C344	0.106 (13)	0.046 (9)	0.036 (7)	−0.021 (8)	0.022 (8)	−0.011 (6)
C360	0.096 (13)	0.032 (8)	0.059 (9)	−0.003 (8)	0.017 (9)	0.012 (7)
C340	0.084 (12)	0.057 (10)	0.064 (10)	−0.016 (9)	0.023 (9)	−0.009 (8)
N333	0.141 (18)	0.048 (9)	0.098 (13)	0.007 (10)	0.038 (12)	0.009 (8)
N320	0.114 (13)	0.047 (8)	0.061 (8)	−0.016 (8)	0.019 (8)	−0.002 (6)
C388	0.118 (15)	0.048 (7)	0.067 (9)	0.004 (8)	0.022 (10)	0.014 (7)
C357	0.100 (13)	0.044 (9)	0.038 (7)	−0.003 (8)	0.018 (8)	0.007 (6)
C345	0.102 (13)	0.046 (9)	0.033 (7)	−0.003 (8)	0.015 (7)	0.006 (6)
C324	0.098 (13)	0.045 (9)	0.033 (7)	0.005 (9)	0.017 (8)	0.005 (6)
C389	0.107 (14)	0.057 (8)	0.074 (10)	−0.004 (9)	0.031 (10)	0.001 (7)
C354	0.17 (2)	0.036 (9)	0.075 (12)	0.009 (11)	0.061 (13)	−0.002 (8)
C334	0.109 (15)	0.046 (9)	0.051 (9)	0.000 (9)	0.020 (9)	−0.008 (7)
N334	0.097 (13)	0.091 (13)	0.086 (12)	−0.005 (11)	0.011 (10)	−0.027 (10)
O1A	0.104 (14)	0.077 (13)	0.081 (12)	0.031 (11)	0.042 (10)	0.045 (10)
N336	0.124 (11)	0.073 (10)	0.071 (10)	−0.013 (9)	0.023 (9)	−0.015 (7)
C316	0.137 (16)	0.041 (8)	0.039 (8)	0.002 (9)	0.027 (9)	−0.001 (6)
C379	0.069 (11)	0.076 (12)	0.062 (10)	0.006 (9)	0.018 (8)	−0.011 (9)
C375	0.084 (12)	0.042 (9)	0.084 (12)	−0.006 (8)	0.018 (10)	0.009 (8)
C323	0.124 (17)	0.061 (11)	0.047 (9)	−0.012 (11)	0.040 (10)	−0.015 (8)
C308	0.117 (15)	0.045 (9)	0.063 (10)	−0.012 (9)	0.038 (10)	−0.017 (8)
N330	0.24 (2)	0.040 (7)	0.088 (10)	0.016 (10)	0.085 (13)	0.020 (7)
C361	0.082 (12)	0.050 (10)	0.070 (11)	−0.011 (8)	0.017 (9)	0.007 (8)
C343	0.119 (14)	0.052 (9)	0.036 (7)	0.014 (9)	0.040 (8)	0.024 (7)
C304	0.133 (17)	0.066 (12)	0.054 (10)	−0.016 (11)	0.037 (11)	−0.018 (9)
C351	0.119 (15)	0.036 (8)	0.055 (9)	0.002 (9)	0.021 (9)	0.005 (7)
C342	0.101 (13)	0.057 (10)	0.036 (7)	−0.010 (9)	0.016 (8)	0.002 (7)
C311	0.17 (2)	0.050 (11)	0.071 (12)	0.019 (13)	0.014 (13)	0.010 (9)
C355	0.112 (15)	0.048 (10)	0.058 (10)	0.008 (9)	0.012 (10)	−0.018 (8)
C363	0.120 (11)	0.057 (10)	0.065 (9)	0.009 (9)	0.037 (9)	0.018 (7)
C307	0.127 (16)	0.039 (9)	0.055 (9)	−0.005 (9)	0.031 (10)	0.001 (7)
C350	0.135 (18)	0.068 (12)	0.048 (9)	−0.005 (11)	0.035 (10)	−0.008 (8)
C396	0.116 (17)	0.047 (10)	0.083 (13)	0.013 (11)	0.032 (12)	0.011 (9)
C320	0.117 (16)	0.039 (9)	0.049 (9)	0.008 (9)	−0.012 (9)	−0.014 (7)
C328	0.125 (18)	0.076 (14)	0.051 (10)	0.025 (13)	0.010 (11)	−0.014 (9)
C318	0.20 (2)	0.077 (14)	0.039 (9)	−0.023 (15)	0.059 (12)	−0.009 (9)
C398	0.113 (18)	0.073 (14)	0.074 (12)	0.019 (12)	0.018 (12)	−0.014 (10)
N332	0.123 (14)	0.063 (10)	0.081 (11)	−0.017 (10)	0.024 (10)	−0.022 (8)
C381	0.109 (15)	0.051 (10)	0.087 (13)	0.009 (10)	0.029 (11)	0.014 (9)
C348	0.142 (19)	0.065 (12)	0.059 (11)	0.036 (12)	0.018 (11)	0.009 (9)
C364	0.122 (11)	0.052 (9)	0.053 (8)	0.007 (8)	0.041 (8)	0.010 (6)
C406	0.111 (11)	0.085 (14)	0.075 (12)	−0.003 (11)	0.024 (10)	−0.023 (10)
C306	0.109 (14)	0.047 (9)	0.049 (9)	−0.016 (9)	0.019 (9)	−0.001 (7)
N331	0.22 (2)	0.127 (16)	0.130 (16)	−0.019 (15)	0.110 (15)	−0.020 (13)
C338	0.134 (17)	0.055 (10)	0.045 (8)	0.000 (10)	0.032 (10)	0.003 (7)
C310	0.142 (19)	0.051 (11)	0.063 (11)	−0.010 (11)	0.013 (11)	0.017 (8)
C315	0.154 (19)	0.060 (11)	0.032 (7)	0.015 (11)	0.032 (9)	0.001 (7)
C373	0.084 (14)	0.058 (12)	0.14 (2)	0.007 (10)	0.035 (14)	0.041 (13)
C336	0.129 (18)	0.062 (12)	0.056 (10)	−0.002 (11)	0.031 (11)	−0.009 (8)
C349	0.137 (16)	0.032 (8)	0.042 (8)	0.006 (9)	0.025 (9)	0.005 (6)
C329	0.113 (16)	0.067 (12)	0.061 (10)	0.022 (11)	0.015 (10)	−0.013 (9)
C303	0.117 (14)	0.048 (9)	0.044 (8)	−0.024 (9)	0.033 (9)	−0.008 (7)
C380	0.097 (13)	0.045 (9)	0.074 (11)	0.017 (9)	0.035 (10)	0.015 (8)
C313	0.16 (2)	0.045 (10)	0.076 (12)	−0.012 (11)	0.041 (13)	0.014 (9)
C312	0.113 (16)	0.072 (13)	0.073 (12)	0.009 (11)	0.045 (11)	−0.005 (10)
C319	0.092 (14)	0.074 (13)	0.094 (15)	0.024 (11)	0.026 (12)	−0.008 (11)
C362	0.126 (18)	0.060 (12)	0.063 (11)	−0.019 (11)	0.019 (11)	−0.003 (9)
C331	0.123 (18)	0.052 (11)	0.096 (15)	−0.003 (11)	0.016 (13)	−0.012 (10)
C370	0.093 (11)	0.060 (11)	0.143 (17)	−0.001 (10)	0.005 (10)	0.028 (11)
C7A	0.087 (14)	0.027 (10)	0.071 (13)	−0.008 (10)	0.013 (11)	0.006 (9)
C397	0.129 (19)	0.064 (13)	0.081 (13)	−0.017 (13)	0.019 (13)	0.000 (11)
C314	0.16 (2)	0.050 (10)	0.051 (9)	0.010 (11)	0.029 (11)	0.002 (8)
C382	0.16 (2)	0.055 (11)	0.070 (12)	−0.001 (12)	0.044 (13)	0.001 (9)
C5A	0.106 (15)	0.029 (10)	0.063 (12)	0.000 (10)	0.032 (11)	−0.010 (9)
C346	0.20 (2)	0.028 (8)	0.050 (9)	0.001 (10)	0.052 (12)	0.004 (6)
C390	0.16 (2)	0.044 (9)	0.099 (12)	−0.001 (11)	0.060 (13)	0.001 (7)
C394	0.183 (17)	0.080 (13)	0.105 (14)	0.009 (13)	0.058 (13)	0.018 (10)
C359	0.115 (17)	0.059 (11)	0.069 (11)	0.000 (11)	0.029 (11)	0.016 (9)
C384	0.17 (2)	0.050 (11)	0.083 (14)	0.002 (13)	0.025 (15)	−0.007 (10)
C333	0.129 (19)	0.079 (14)	0.061 (11)	0.020 (13)	0.009 (12)	−0.034 (10)
C374	0.14 (2)	0.061 (12)	0.084 (14)	0.010 (13)	0.036 (13)	0.006 (10)
N324	0.096 (11)	0.051 (10)	0.22 (2)	−0.007 (9)	0.001 (11)	0.023 (11)
C335	0.094 (14)	0.091 (15)	0.062 (11)	0.001 (11)	0.027 (10)	−0.027 (10)
C365	0.131 (12)	0.057 (10)	0.068 (10)	0.009 (9)	0.027 (9)	0.009 (7)
C317	0.151 (19)	0.046 (10)	0.067 (11)	−0.016 (11)	0.044 (12)	0.008 (8)
C404	0.120 (14)	0.091 (15)	0.106 (15)	−0.013 (11)	0.024 (11)	−0.039 (12)
C405	0.113 (11)	0.094 (15)	0.075 (11)	−0.006 (10)	0.030 (10)	−0.026 (10)
C378	0.088 (13)	0.056 (11)	0.087 (14)	0.004 (9)	0.007 (11)	0.008 (10)
C6A	0.142 (19)	0.017 (9)	0.065 (13)	0.009 (11)	0.049 (13)	0.013 (9)
C393	0.174 (18)	0.086 (15)	0.102 (15)	−0.003 (12)	0.044 (14)	−0.021 (11)
C358	0.089 (13)	0.058 (11)	0.087 (13)	0.005 (10)	0.016 (11)	−0.007 (10)
C1A	0.124 (18)	0.017 (9)	0.064 (12)	−0.009 (10)	0.048 (12)	−0.011 (8)
C305	0.18 (2)	0.059 (11)	0.051 (10)	−0.020 (13)	0.038 (12)	−0.004 (8)
C385	0.15 (2)	0.058 (12)	0.074 (12)	0.001 (12)	0.020 (13)	−0.009 (10)
C4A	0.092 (14)	0.021 (9)	0.063 (12)	0.002 (9)	0.028 (11)	−0.007 (8)
C302	0.30 (4)	0.034 (10)	0.074 (13)	−0.003 (15)	0.094 (19)	−0.001 (9)
C2A	0.094 (15)	0.035 (11)	0.060 (12)	−0.014 (10)	0.034 (11)	−0.016 (9)
C399	0.100 (12)	0.089 (14)	0.093 (13)	−0.008 (10)	0.015 (9)	−0.004 (10)
C376	0.13 (2)	0.050 (12)	0.12 (2)	0.007 (12)	0.013 (15)	0.010 (12)
C12A	0.083 (14)	0.047 (12)	0.088 (15)	−0.004 (11)	0.008 (13)	0.030 (11)
C301	0.27 (3)	0.049 (11)	0.045 (9)	0.002 (15)	0.073 (15)	0.008 (8)
C3A	0.091 (15)	0.034 (10)	0.058 (12)	−0.001 (10)	0.034 (11)	−0.007 (9)
C8A	0.081 (14)	0.036 (11)	0.090 (15)	0.016 (10)	−0.003 (12)	−0.019 (11)
C332	0.15 (2)	0.078 (14)	0.068 (12)	−0.008 (14)	0.033 (13)	−0.036 (11)
C377	0.15 (2)	0.050 (13)	0.14 (2)	−0.010 (14)	0.011 (18)	0.026 (14)
C11A	0.076 (15)	0.045 (13)	0.095 (17)	−0.010 (11)	−0.027 (14)	0.031 (12)
C9A	0.094 (17)	0.046 (14)	0.11 (2)	0.013 (13)	−0.020 (16)	−0.037 (13)
C383	0.19 (3)	0.064 (13)	0.086 (15)	−0.010 (15)	0.068 (16)	0.000 (11)
C347	0.29 (4)	0.041 (11)	0.060 (12)	0.003 (16)	0.053 (17)	0.008 (9)
C401	0.119 (12)	0.124 (17)	0.121 (16)	0.000 (12)	−0.008 (12)	−0.045 (13)
C368	0.097 (12)	0.105 (17)	0.24 (2)	−0.011 (13)	−0.020 (13)	0.071 (16)
C15A	0.067 (16)	0.11 (2)	0.11 (2)	0.004 (16)	0.017 (15)	0.067 (19)
C330	0.21 (3)	0.10 (2)	0.073 (15)	0.02 (2)	0.044 (19)	−0.030 (13)
C387	0.22 (3)	0.050 (10)	0.091 (12)	−0.023 (14)	0.061 (16)	−0.005 (8)
C386	0.34 (4)	0.058 (10)	0.117 (17)	−0.021 (17)	0.13 (2)	−0.007 (10)
C13A	0.098 (18)	0.035 (12)	0.088 (17)	0.018 (12)	0.005 (14)	0.011 (11)
C403	0.115 (12)	0.129 (18)	0.125 (16)	−0.010 (13)	−0.001 (11)	−0.060 (14)
C369	0.105 (12)	0.105 (16)	0.19 (2)	−0.022 (12)	−0.019 (14)	0.072 (15)
C371	0.095 (11)	0.099 (16)	0.17 (2)	−0.022 (12)	0.002 (12)	0.045 (14)
C395	0.20 (2)	0.087 (14)	0.112 (15)	0.035 (14)	0.069 (14)	0.045 (11)
C391	0.21 (2)	0.121 (18)	0.148 (18)	−0.027 (18)	0.089 (17)	−0.052 (14)
C402	0.119 (12)	0.111 (17)	0.143 (17)	0.006 (13)	0.004 (12)	−0.050 (13)
C366	0.134 (13)	0.101 (15)	0.098 (14)	−0.005 (11)	0.029 (11)	0.047 (11)
C372	0.094 (11)	0.098 (17)	0.22 (2)	−0.016 (12)	0.005 (14)	0.046 (15)
C367	0.120 (12)	0.110 (15)	0.094 (13)	0.000 (11)	0.041 (10)	0.043 (11)
C10A	0.11 (2)	0.059 (16)	0.13 (2)	0.001 (15)	−0.042 (18)	−0.034 (16)
C400	0.123 (13)	0.112 (17)	0.126 (16)	0.007 (12)	0.014 (12)	−0.054 (13)
C407	0.113 (14)	0.19 (3)	0.16 (2)	−0.007 (16)	0.032 (15)	−0.12 (2)
C408	0.131 (14)	0.20 (4)	0.17 (3)	−0.031 (16)	0.040 (15)	−0.12 (3)
C14A	0.14 (3)	0.08 (2)	0.12 (3)	−0.01 (2)	0.05 (2)	−0.030 (19)
C392	0.196 (19)	0.101 (16)	0.141 (18)	−0.034 (14)	0.067 (14)	−0.050 (13)
I418	0.236 (14)	0.060 (3)	0.120 (5)	−0.014 (6)	0.074 (7)	−0.001 (3)
Zn49	0.098 (9)	0.073 (9)	0.074 (9)	0.012 (7)	0.021 (6)	0.001 (6)
I417	0.147 (7)	0.148 (12)	0.139 (8)	−0.014 (5)	0.064 (7)	0.025 (5)
I402	0.275 (17)	0.055 (7)	0.262 (17)	−0.017 (8)	0.198 (15)	0.022 (8)
Zn41	0.20 (2)	0.060 (12)	0.099 (12)	−0.057 (10)	0.105 (13)	−0.013 (8)
I401	0.264 (15)	0.133 (9)	0.224 (15)	−0.088 (10)	0.181 (15)	−0.109 (10)
I407	0.130 (5)	0.074 (3)	0.056 (3)	−0.043 (3)	0.059 (3)	−0.038 (2)
Zn44	0.255 (19)	0.029 (6)	0.034 (5)	0.001 (6)	0.066 (6)	0.002 (4)
I408	0.275 (10)	0.048 (3)	0.118 (5)	0.026 (4)	0.139 (7)	0.032 (3)
I409	0.275 (10)	0.216 (9)	0.059 (3)	0.147 (7)	0.016 (4)	−0.029 (4)
Zn45	0.170 (3)	0.0479 (14)	0.0439 (13)	0.0214 (15)	0.0136 (14)	−0.0039 (11)
I410	0.463 (16)	0.040 (3)	0.034 (2)	−0.053 (5)	0.039 (4)	−0.0090 (18)
I306	0.204 (7)	0.074 (3)	0.114 (4)	0.008 (3)	−0.015 (3)	−0.058 (3)
Zn33	0.177 (8)	0.041 (5)	0.067 (4)	−0.020 (4)	0.027 (4)	−0.015 (3)
I305	0.107 (3)	0.0341 (16)	0.093 (2)	−0.0073 (11)	0.0352 (15)	−0.0051 (10)
I303	0.169 (8)	0.136 (7)	0.149 (9)	−0.037 (6)	0.047 (6)	0.021 (6)
Zn32	0.25 (2)	0.052 (8)	0.076 (10)	−0.017 (8)	0.041 (9)	−0.004 (7)
I304	0.291 (13)	0.045 (3)	0.085 (5)	−0.003 (4)	0.036 (5)	0.009 (2)
I415	0.260 (15)	0.175 (15)	0.35 (2)	−0.049 (11)	0.164 (16)	0.055 (18)
Zn48	0.27 (3)	0.057 (10)	0.19 (2)	−0.027 (11)	0.082 (19)	0.012 (13)
I416	0.210 (11)	0.083 (6)	0.282 (19)	−0.006 (6)	0.057 (11)	−0.081 (9)
I412	0.165 (6)	0.085 (5)	0.316 (16)	−0.017 (4)	−0.010 (8)	0.109 (8)
Zn46	0.118 (7)	0.050 (5)	0.224 (14)	−0.001 (4)	0.031 (9)	0.015 (7)
I411	0.176 (6)	0.093 (5)	0.333 (16)	0.020 (4)	0.076 (8)	−0.068 (8)

Geometric parameters (Å, º)

I404—Zn42	2.554 (7)	N330—Zn47	2.18 (2)
I307—Zn34	2.530 (9)	C361—C363	1.44 (3)
I405—Zn43	2.537 (13)	C304—H304	0.9500
I406—Zn43	2.529 (11)	C304—C303	1.36 (3)
I308—Zn34	2.543 (8)	C304—C305	1.37 (2)
I316—Zn38	2.549 (5)	C351—H351	0.9500
I301—Zn31	2.514 (6)	C351—C350	1.36 (2)
I403—Zn42	2.521 (6)	C311—H311	0.9500
I302—Zn31	2.507 (5)	C311—C310	1.38 (3)
I310—Zn35	2.533 (11)	C355—H355	0.9500
I318—Zn39	2.548 (10)	C363—C364	1.37 (3)
I309—Zn35	2.549 (11)	C363—C367	1.48 (3)
I315—Zn38	2.531 (5)	C350—H350	0.9500
I317—Zn39	2.541 (11)	C396—N332	1.35 (3)
I312—Zn36	2.552 (6)	C396—C393	1.43 (3)
I311—Zn36	2.516 (6)	C320—H320	0.9500
I313—Zn37	2.524 (7)	C320—C319	1.30 (3)
Zn34—N319	2.061 (16)	C328—H328	0.9500
Zn34—N318	2.021 (15)	C328—C329	1.41 (3)
I314—Zn37	2.505 (6)	C318—H318	0.9500
Zn42—N307	2.017 (14)	C318—C317	1.41 (2)
Zn42—N306	2.088 (17)	C398—N332	1.33 (3)
Zn43—N312	2.01 (2)	C398—C406	1.47 (3)
Zn43—N313	2.100 (18)	C381—C382	1.38 (3)
Zn35—N317^i	2.07 (3)	C381—C385	1.39 (3)
Zn35—N323	2.047 (19)	C348—H348	0.9500
Zn31—N311^ii	2.110 (17)	C348—C349	1.36 (2)
Zn31—N301	2.055 (14)	C364—H364	0.9500
Zn39—N329^ii	2.03 (3)	C364—C365	1.40 (3)
Zn39—N336	2.055 (19)	C406—C405	1.38 (3)
Zn38—N305^iii	2.092 (17)	C406—C407	1.38 (3)
Zn38—N335	2.09 (2)	C306—C303	1.51 (2)
Zn36—N325	2.18 (2)	N331—C395	1.37 (4)
Zn36—N324	2.11 (2)	N331—C391	1.28 (5)
Zn37—N330	2.121 (15)	N331—Zn47	2.31 (3)
Zn37—N331	2.27 (3)	C338—H338	0.9500
N315—C343	1.31 (2)	C310—H310	0.9500
N315—C342	1.331 (19)	C315—H315	0.9500
N312—C336	1.38 (2)	C315—C314	1.37 (2)
N312—C332	1.31 (3)	C373—H373	0.9500
N312—Zn33	2.045 (19)	C373—C374	1.39 (3)
N310—C325	1.27 (2)	C336—H336	0.9500
N310—C326	1.34 (2)	C336—C335	1.35 (3)
N313—C341	1.28 (2)	C349—H349	0.9500
N313—C337	1.39 (2)	C329—H329	0.9500
N313—Zn33	2.071 (15)	C303—C302	1.35 (2)
N319—C355	1.35 (2)	C313—H313	0.9500
N319—C359	1.40 (3)	C313—C312	1.35 (3)
N319—Zn44	2.033 (16)	C312—H312	0.9500
N316—C344	1.298 (19)	C319—H319	0.9500
N316—C343	1.374 (19)	C362—C370	1.49 (3)
N318—C354	1.33 (2)	C331—H331	0.9500
N318—C350	1.37 (2)	C331—C330	1.42 (3)
N318—Zn44	2.071 (15)	C370—C369	1.31 (3)
N314—C344	1.36 (2)	C370—C371	1.39 (3)
N314—C342	1.361 (19)	C7A—C4A	1.515 (15)
N328—C379	1.36 (2)	C7A—C12A	1.392 (15)
N328—C380	1.24 (2)	C7A—C8A	1.394 (15)
N304—C308	1.27 (2)	C397—C399	1.52 (3)
N304—C307	1.34 (2)	C314—H314	0.9500
N309—C325	1.35 (2)	C382—H382	0.9500
N309—C324	1.35 (2)	C382—C383	1.37 (3)
N302—C308	1.38 (2)	C5A—C6A	1.388 (16)
N302—C306	1.29 (2)	C5A—C4A	1.395 (16)
N307—C323	1.36 (2)	C5A—C13A	1.511 (17)
N307—C319	1.37 (2)	C346—H346	0.9500
N307—Zn32	2.037 (17)	C346—C347	1.36 (2)
N327—C379	1.29 (2)	C390—H390	0.9500
N327—C378	1.30 (3)	C394—H394	0.9500
N311—C329	1.29 (3)	C394—C393	1.39 (4)
N311—C330	1.31 (4)	C394—C395	1.47 (4)
N311—Zn41^iv	1.75 (3)	C359—H359	0.9500
N301—C305	1.36 (2)	C359—C358	1.37 (3)
N301—C301	1.33 (2)	C384—H384	0.9500
N301—Zn41	2.08 (2)	C384—C385	1.41 (3)
N305—C311	1.29 (3)	C333—H333	0.9500
N305—C312	1.35 (3)	C333—C332	1.41 (3)
N305—Zn48^v	2.20 (3)	C374—H374	0.9500
N321—C360	1.35 (2)	N324—C368	1.39 (4)
N321—C361	1.31 (2)	N324—C372	1.32 (4)
N308—C326	1.37 (2)	N324—Zn46	2.09 (2)
N308—C324	1.31 (2)	C335—H335	0.9500
C352—C353	1.31 (2)	C365—H365	0.9500
C352—C344	1.491 (18)	C317—H317	0.9500
C352—C351	1.40 (2)	C404—H404	0.9500
N317—C348	1.34 (2)	C404—C405	1.36 (3)
N317—C347	1.33 (3)	C405—H405	0.9500
N323—C365	1.28 (2)	C6A—H6A	0.9500
N323—C366	1.38 (3)	C6A—C1A	1.394 (18)
N323—Zn45	2.05 (2)	C393—C392	1.39 (4)
O3A—C12A	1.371 (17)	C358—H358	0.9500
O3A—C15A	1.42 (3)	C1A—H1AA	0.9500
N306—C318	1.30 (3)	C1A—C2A	1.386 (18)
N306—C314	1.34 (2)	C305—H305	0.9500
N306—Zn32	2.037 (19)	C385—H385	0.9500
C341—H341	0.9500	C4A—C3A	1.391 (17)
C341—C340	1.38 (2)	C302—H302	0.9500
C321—C322	1.36 (2)	C302—C301	1.39 (3)
C321—C324	1.48 (2)	C2A—H2A	0.9500
C321—C320	1.35 (3)	C2A—C3A	1.395 (16)
C339—C340	1.42 (2)	C399—C403	1.43 (4)
C339—C342	1.50 (2)	C399—C400	1.32 (3)
C339—C338	1.41 (2)	C376—H376	0.9500
C337—H337	0.9500	C376—C377	1.39 (3)
C337—C338	1.31 (2)	C12A—C11A	1.381 (15)
C325—C327	1.50 (2)	C301—H301	0.9500
C322—H322	0.9500	C3A—H3A	0.9500
C322—C323	1.34 (3)	C8A—C9A	1.380 (15)
N326—C380	1.37 (2)	C332—H332	0.9500
N326—C378	1.35 (2)	C377—H377	0.9500
O2A—C8A	1.377 (16)	C11A—H11A	0.9500
O2A—C14A	1.42 (4)	C11A—C10A	1.380 (16)
C356—H356	0.9500	C9A—H9A	0.9500
C356—C357	1.39 (3)	C9A—C10A	1.378 (16)
C356—C355	1.34 (3)	C383—H383	0.9500
C326—C334	1.53 (3)	C347—H347	0.9500
N335—C401	1.34 (3)	C401—H401	0.9500
N335—C402	1.29 (3)	C401—C400	1.32 (4)
N335—Zn48	2.03 (2)	C368—H368	0.9500
N303—C307	1.34 (2)	C368—C369	1.34 (4)
N303—C306	1.35 (2)	C15A—H15A	0.9800
C353—H353	0.9500	C15A—H15B	0.9800
C353—C354	1.41 (2)	C15A—H15C	0.9800
N322—C361	1.33 (2)	C330—H330	0.9500
N322—C362	1.30 (3)	C330—Zn41^iv	2.56 (4)
C327—C328	1.34 (3)	C387—H387	0.9500
C327—C331	1.40 (3)	C387—C386	1.36 (3)
N329—C384	1.29 (3)	C386—H386	0.9500
N329—C383	1.34 (3)	C13A—H13A	0.9900
N329—Zn49^iv	2.15 (3)	C13A—H13B	0.9900
C309—C307	1.49 (2)	C403—H403	0.9500
C309—C310	1.38 (2)	C403—C402	1.42 (4)
C309—C313	1.38 (3)	C369—H369	0.9500
N325—C373	1.31 (3)	C371—H371	0.9500
N325—C377	1.30 (3)	C371—C372	1.43 (3)
N325—Zn46	2.16 (2)	C395—H395	0.9500
C360—N320	1.31 (2)	C391—H391	0.9500
C360—C357	1.47 (2)	C391—C392	1.29 (4)
C340—H340	0.9500	C402—H402	0.9500
N333—C396	1.31 (3)	C366—H366	0.9500
N333—C397	1.28 (3)	C366—C367	1.32 (3)
N320—C362	1.36 (2)	C372—H372	0.9500
C388—C389	1.33 (3)	C367—H367	0.9500
C388—C380	1.52 (2)	C10A—H10A	0.9500
C388—C387	1.41 (3)	C400—H400	0.9500
C357—C358	1.38 (3)	C407—H407	0.9500
C345—C343	1.490 (18)	C407—C408	1.34 (4)
C345—C349	1.33 (2)	C408—H408	0.9500
C345—C346	1.40 (2)	C14A—H14A	0.9800
C389—H389	0.9500	C14A—H14B	0.9800
C389—C390	1.44 (3)	C14A—H14C	0.9800
C354—H354	0.9500	C392—H392	0.9500
C334—C333	1.36 (2)	I418—Zn49	2.534 (10)
C334—C335	1.34 (3)	Zn49—I417	2.541 (11)
N334—C398	1.31 (3)	I402—Zn41	2.527 (16)
N334—C397	1.32 (3)	Zn41—I401	2.543 (16)
O1A—H1A	0.8400	I407—Zn44	2.510 (11)
O1A—C13A	1.435 (17)	Zn44—I408	2.575 (10)
N336—C404	1.35 (3)	I409—Zn45	2.549 (12)
N336—C408	1.41 (3)	Zn45—I410	2.533 (11)
N336—Zn49	2.04 (2)	I414—Zn47	2.493 (15)
C316—C308	1.52 (2)	Zn47—I413	2.566 (16)
C316—C315	1.39 (2)	I306—Zn33	2.527 (6)
C316—C317	1.38 (2)	Zn33—I305	2.528 (6)
C379—C381	1.49 (3)	I303—Zn32	2.530 (12)
C375—C374	1.43 (3)	Zn32—I304	2.548 (11)
C375—C378	1.49 (3)	I415—Zn48	2.516 (16)
C375—C376	1.44 (3)	Zn48—I416	2.514 (15)
C323—H323	0.9500	I412—Zn46	2.532 (13)
N330—C390	1.30 (3)	Zn46—I411	2.527 (14)
N330—C386	1.33 (3)
I307—Zn34—I308	126.4 (5)	C339—C338—H338	120.6
N319—Zn34—I307	109.8 (7)	C337—C338—C339	118.9 (16)
N319—Zn34—I308	104.9 (6)	C337—C338—H338	120.6
N318—Zn34—I307	102.7 (7)	C309—C310—H310	119.0
N318—Zn34—I308	109.9 (6)	C311—C310—C309	122 (2)
N318—Zn34—N319	100.2 (6)	C311—C310—H310	119.0
I403—Zn42—I404	124.7 (3)	C316—C315—H315	120.1
N307—Zn42—I404	107.3 (5)	C314—C315—C316	119.8 (16)
N307—Zn42—I403	106.5 (5)	C314—C315—H315	120.1
N307—Zn42—N306	100.8 (6)	N325—C373—H373	118.6
N306—Zn42—I404	106.5 (5)	N325—C373—C374	123 (2)
N306—Zn42—I403	108.6 (6)	C374—C373—H373	118.6
I406—Zn43—I405	120.1 (6)	N312—C336—H336	119.3
N312—Zn43—I405	114.4 (10)	C335—C336—N312	121.4 (19)
N312—Zn43—I406	107.3 (6)	C335—C336—H336	119.3
N312—Zn43—N313	101.2 (8)	C345—C349—C348	118.3 (16)
N313—Zn43—I405	101.9 (9)	C345—C349—H349	120.9
N313—Zn43—I406	110.0 (6)	C348—C349—H349	120.9
I310—Zn35—I309	125.4 (8)	N311—C329—C328	124 (2)
N317^i—Zn35—I310	110.8 (8)	N311—C329—H329	118.0
N317^i—Zn35—I309	104.9 (8)	C328—C329—H329	118.0
N323—Zn35—I310	106.5 (8)	C304—C303—C306	121.0 (15)
N323—Zn35—I309	104.6 (8)	C302—C303—C304	121.4 (16)
N323—Zn35—N317^i	102.4 (10)	C302—C303—C306	117.5 (16)
I302—Zn31—I301	127.2 (3)	N328—C380—N326	126.2 (16)
N311^ii—Zn31—I301	107.3 (6)	N328—C380—C388	119.0 (17)
N311^ii—Zn31—I302	105.2 (6)	N326—C380—C388	114.7 (16)
N301—Zn31—I301	105.1 (6)	C309—C313—H313	119.8
N301—Zn31—I302	110.3 (6)	C312—C313—C309	120.4 (19)
N301—Zn31—N311^ii	97.9 (6)	C312—C313—H313	119.8
I317—Zn39—I318	124.2 (7)	N305—C312—C313	122.4 (19)
N329^ii—Zn39—I318	108.4 (8)	N305—C312—H312	118.8
N329^ii—Zn39—I317	107.8 (8)	C313—C312—H312	118.8
N329^ii—Zn39—N336	104.5 (9)	N307—C319—H319	116.9
N336—Zn39—I318	103.8 (8)	C320—C319—N307	126 (2)
N336—Zn39—I317	106.5 (8)	C320—C319—H319	116.9
I315—Zn38—I316	121.1 (2)	N322—C362—N320	122 (2)
N305^iii—Zn38—I316	111.5 (6)	N322—C362—C370	121.2 (19)
N305^iii—Zn38—I315	106.1 (5)	N320—C362—C370	116 (2)
N305^iii—Zn38—N335	100.4 (8)	C327—C331—H331	122.4
N335—Zn38—I316	106.3 (6)	C327—C331—C330	115 (3)
N335—Zn38—I315	109.5 (6)	C330—C331—H331	122.4
I311—Zn36—I312	121.7 (2)	C369—C370—C362	124 (2)
N325—Zn36—I312	109.1 (7)	C369—C370—C371	118 (3)
N325—Zn36—I311	108.5 (7)	C371—C370—C362	118 (2)
N324—Zn36—I312	102.2 (7)	C12A—C7A—C4A	120.8 (15)
N324—Zn36—I311	113.5 (8)	C12A—C7A—C8A	118.5 (12)
N324—Zn36—N325	99.5 (8)	C8A—C7A—C4A	120.5 (14)
I314—Zn37—I313	126.59 (19)	N333—C397—N334	126 (3)
N330—Zn37—I313	109.2 (6)	N333—C397—C399	118 (2)
N330—Zn37—I314	105.0 (6)	N334—C397—C399	117 (2)
N330—Zn37—N331	91.5 (8)	N306—C314—C315	122.6 (18)
N331—Zn37—I313	117.8 (8)	N306—C314—H314	118.7
N331—Zn37—I314	100.7 (7)	C315—C314—H314	118.7
C343—N315—C342	115.9 (12)	C381—C382—H382	118.2
C336—N312—Zn43	123.1 (14)	C383—C382—C381	124 (2)
C336—N312—Zn33	122.9 (14)	C383—C382—H382	118.2
C332—N312—Zn43	120.1 (16)	C6A—C5A—C4A	118.5 (15)
C332—N312—C336	117 (2)	C6A—C5A—C13A	120.5 (17)
C332—N312—Zn33	120.2 (16)	C4A—C5A—C13A	120.9 (15)
C325—N310—C326	115.5 (17)	C345—C346—H346	120.0
C341—N313—Zn43	122.0 (12)	C347—C346—C345	119.9 (18)
C341—N313—C337	117.8 (15)	C347—C346—H346	120.0
C341—N313—Zn33	122.8 (11)	C389—C390—H390	120.4
C337—N313—Zn43	120.2 (12)	N330—C390—C389	119.1 (19)
C337—N313—Zn33	119.4 (12)	N330—C390—H390	120.4
C355—N319—Zn34	127.5 (15)	C393—C394—H394	118.8
C355—N319—C359	115.0 (16)	C393—C394—C395	122 (3)
C355—N319—Zn44	124.7 (15)	C395—C394—H394	118.8
C359—N319—Zn34	117.4 (11)	N319—C359—H359	118.7
C359—N319—Zn44	120.2 (12)	C358—C359—N319	122.6 (19)
C344—N316—C343	115.4 (13)	C358—C359—H359	118.7
C354—N318—Zn34	119.9 (12)	N329—C384—H384	119.1
C354—N318—C350	116.9 (14)	N329—C384—C385	122 (2)
C354—N318—Zn44	122.0 (12)	C385—C384—H384	119.1
C350—N318—Zn34	123.0 (11)	C334—C333—H333	120.3
C350—N318—Zn44	120.8 (11)	C334—C333—C332	119.5 (19)
C344—N314—C342	114.3 (13)	C332—C333—H333	120.3
C380—N328—C379	115.5 (16)	C375—C374—H374	121.6
C308—N304—C307	114.4 (15)	C373—C374—C375	117 (2)
C324—N309—C325	114.1 (18)	C373—C374—H374	121.6
C306—N302—C308	114.1 (16)	C368—N324—Zn36	127.1 (19)
C323—N307—Zn42	119.2 (11)	C368—N324—Zn46	109 (2)
C323—N307—C319	113.0 (16)	C372—N324—Zn36	112 (2)
C323—N307—Zn32	122.2 (11)	C372—N324—C368	121 (2)
C319—N307—Zn42	127.6 (15)	C372—N324—Zn46	128.6 (19)
C319—N307—Zn32	124.5 (15)	C334—C335—C336	121.6 (18)
C379—N327—C378	113.6 (16)	C334—C335—H335	119.2
C329—N311—Zn31^iv	123.3 (16)	C336—C335—H335	119.2
C329—N311—C330	116 (2)	N323—C365—C364	123 (2)
C329—N311—Zn41^iv	128.3 (18)	N323—C365—H365	118.4
C330—N311—Zn31^iv	118.7 (16)	C364—C365—H365	118.4
C330—N311—Zn41^iv	113.1 (18)	C316—C317—C318	120.3 (18)
C305—N301—Zn31	122.8 (12)	C316—C317—H317	119.9
C305—N301—Zn41	131.0 (14)	C318—C317—H317	119.9
C301—N301—Zn31	121.8 (12)	N336—C404—H404	119.7
C301—N301—C305	114.2 (15)	N336—C404—C405	121 (2)
C301—N301—Zn41	114.8 (13)	C405—C404—H404	119.7
Zn38^v—N305—Zn48^v	16.0 (5)	C406—C405—H405	118.2
C311—N305—Zn38^v	117.9 (14)	C404—C405—C406	124 (2)
C311—N305—C312	119.0 (18)	C404—C405—H405	118.2
C311—N305—Zn48^v	132.9 (16)	N327—C378—N326	127.3 (18)
C312—N305—Zn38^v	123.1 (15)	N327—C378—C375	118.9 (18)
C312—N305—Zn48^v	107.7 (15)	N326—C378—C375	112.8 (18)
C361—N321—C360	116.1 (16)	C5A—C6A—H6A	119.6
C324—N308—C326	115.4 (15)	C5A—C6A—C1A	120.8 (17)
C353—C352—C344	120.4 (15)	C1A—C6A—H6A	119.6
C353—C352—C351	119.4 (14)	C394—C393—C396	125 (3)
C351—C352—C344	120.2 (14)	C394—C393—C392	110 (3)
C348—N317—Zn35^vi	124.2 (13)	C392—C393—C396	125 (3)
C347—N317—Zn35^vi	120.2 (13)	C357—C358—H358	120.2
C347—N317—C348	115.3 (16)	C359—C358—C357	120 (2)
C365—N323—Zn35	123.4 (18)	C359—C358—H358	120.2
C365—N323—C366	117.8 (19)	C6A—C1A—H1AA	120.0
C365—N323—Zn45	123.7 (18)	C2A—C1A—C6A	120.0 (17)
C366—N323—Zn35	118.4 (14)	C2A—C1A—H1AA	120.0
C366—N323—Zn45	118.0 (14)	N301—C305—C304	124.2 (19)
C12A—O3A—C15A	120 (2)	N301—C305—H305	117.9
C318—N306—Zn42	119.2 (11)	C304—C305—H305	117.9
C318—N306—C314	118.9 (16)	C381—C385—C384	119 (2)
C318—N306—Zn32	117.0 (12)	C381—C385—H385	120.6
C314—N306—Zn42	121.4 (12)	C384—C385—H385	120.6
C314—N306—Zn32	123.3 (13)	C5A—C4A—C7A	119.3 (15)
N313—C341—H341	117.6	C3A—C4A—C7A	119.4 (15)
N313—C341—C340	124.8 (16)	C3A—C4A—C5A	121.3 (14)
C340—C341—H341	117.6	C303—C302—H302	121.9
C322—C321—C324	123 (2)	C303—C302—C301	116.3 (18)
C320—C321—C322	115.3 (17)	C301—C302—H302	121.9
C320—C321—C324	121.9 (16)	C1A—C2A—H2A	120.0
C340—C339—C342	122.2 (13)	C1A—C2A—C3A	119.9 (18)
C338—C339—C340	118.2 (15)	C3A—C2A—H2A	120.0
C338—C339—C342	119.6 (14)	C403—C399—C397	121 (2)
N313—C337—H337	118.3	C400—C399—C397	122 (2)
C338—C337—N313	123.4 (17)	C400—C399—C403	116 (2)
C338—C337—H337	118.3	C375—C376—H376	119.7
N310—C325—N309	126.8 (17)	C377—C376—C375	121 (2)
N310—C325—C327	117.8 (17)	C377—C376—H376	119.7
N309—C325—C327	115.0 (19)	O3A—C12A—C7A	116.8 (15)
C321—C322—H322	118.3	O3A—C12A—C11A	122.3 (16)
C323—C322—C321	123 (2)	C11A—C12A—C7A	120.9 (13)
C323—C322—H322	118.3	N301—C301—C302	125.8 (16)
C378—N326—C380	111.3 (16)	N301—C301—H301	117.1
C8A—O2A—C14A	118 (2)	C302—C301—H301	117.1
C357—C356—H356	120.1	C4A—C3A—C2A	119.3 (17)
C355—C356—H356	120.1	C4A—C3A—H3A	120.3
C355—C356—C357	119.8 (19)	C2A—C3A—H3A	120.3
N310—C326—N308	123 (2)	O2A—C8A—C7A	115.5 (13)
N310—C326—C334	120.6 (17)	O2A—C8A—C9A	124.2 (15)
N308—C326—C334	116.0 (15)	C9A—C8A—C7A	120.3 (13)
C401—N335—Zn38	124.7 (18)	N312—C332—C333	122.2 (19)
C401—N335—Zn48	110.0 (19)	N312—C332—H332	118.9
C402—N335—Zn38	115 (2)	C333—C332—H332	118.9
C402—N335—C401	119 (2)	N325—C377—C376	118 (3)
C402—N335—Zn48	131 (2)	N325—C377—H377	120.9
C307—N303—C306	112.6 (14)	C376—C377—H377	120.9
C352—C353—H353	119.8	C12A—C11A—H11A	120.1
C352—C353—C354	120.4 (16)	C10A—C11A—C12A	119.8 (14)
C354—C353—H353	119.8	C10A—C11A—H11A	120.1
C362—N322—C361	117.6 (18)	C8A—C9A—H9A	119.8
C328—C327—C325	123.5 (18)	C10A—C9A—C8A	120.5 (15)
C328—C327—C331	119.2 (19)	C10A—C9A—H9A	119.8
C331—C327—C325	117 (2)	N329—C383—C382	118 (2)
Zn39^iv—N329—Zn49^iv	3.1 (6)	N329—C383—H383	121.1
C384—N329—Zn39^iv	118.6 (15)	C382—C383—H383	121.1
C384—N329—C383	122 (2)	N317—C347—C346	122 (2)
C384—N329—Zn49^iv	120.6 (15)	N317—C347—H347	118.8
C383—N329—Zn39^iv	119.0 (14)	C346—C347—H347	118.8
C383—N329—Zn49^iv	116.6 (14)	N335—C401—H401	117.3
C310—C309—C307	118.1 (16)	C400—C401—N335	125 (3)
C313—C309—C307	126.9 (16)	C400—C401—H401	117.3
C313—C309—C310	115.0 (16)	N324—C368—H368	119.8
C373—N325—Zn36	124.2 (17)	C369—C368—N324	120 (3)
C373—N325—Zn46	103.4 (17)	C369—C368—H368	119.8
C377—N325—Zn36	111.1 (18)	O3A—C15A—H15A	109.5
C377—N325—C373	125 (2)	O3A—C15A—H15B	109.5
C377—N325—Zn46	132 (2)	O3A—C15A—H15C	109.5
N316—C344—N314	125.1 (13)	H15A—C15A—H15B	109.5
N316—C344—C352	117.6 (15)	H15A—C15A—H15C	109.5
N314—C344—C352	117.1 (13)	H15B—C15A—H15C	109.5
N321—C360—C357	117.5 (17)	N311—C330—C331	125 (3)
N320—C360—N321	123.1 (15)	N311—C330—H330	117.3
N320—C360—C357	119.4 (15)	N311—C330—Zn41^iv	38.8 (12)
C341—C340—C339	116.9 (16)	C331—C330—H330	117.3
C341—C340—H340	121.6	C331—C330—Zn41^iv	164 (3)
C339—C340—H340	121.6	Zn41^iv—C330—H330	78.7
C397—N333—C396	117 (2)	C388—C387—H387	122.5
C360—N320—C362	116.9 (18)	C386—C387—C388	115 (2)
C389—C388—C380	121.1 (18)	C386—C387—H387	122.5
C389—C388—C387	120.7 (19)	N330—C386—C387	125 (2)
C387—C388—C380	117.8 (17)	N330—C386—H386	117.5
C356—C357—C360	121.6 (16)	C387—C386—H386	117.5
C358—C357—C356	117.9 (17)	O1A—C13A—C5A	112.1 (17)
C358—C357—C360	120.4 (18)	O1A—C13A—H13A	109.2
C349—C345—C343	122.9 (14)	O1A—C13A—H13B	109.2
C349—C345—C346	118.1 (14)	C5A—C13A—H13A	109.2
C346—C345—C343	118.9 (15)	C5A—C13A—H13B	109.2
N309—C324—C321	117.9 (18)	H13A—C13A—H13B	107.9
N308—C324—N309	124.4 (16)	C399—C403—H403	119.4
N308—C324—C321	117.2 (15)	C402—C403—C399	121 (2)
C388—C389—H389	120.1	C402—C403—H403	119.4
C388—C389—C390	119.9 (19)	C370—C369—C368	123 (3)
C390—C389—H389	120.1	C370—C369—H369	118.7
N318—C354—C353	121.9 (17)	C368—C369—H369	118.7
N318—C354—H354	119.0	C370—C371—H371	119.6
C353—C354—H354	119.0	C370—C371—C372	121 (3)
C333—C334—C326	120.7 (17)	C372—C371—H371	119.6
C335—C334—C326	121.0 (16)	N331—C395—C394	110 (3)
C335—C334—C333	118 (2)	N331—C395—H395	125.0
C398—N334—C397	114 (2)	C394—C395—H395	125.0
C13A—O1A—H1A	109.5	N331—C391—H391	125.3
C404—N336—Zn39	128.3 (18)	N331—C391—C392	109 (4)
C404—N336—C408	117 (2)	C392—C391—H391	125.3
C404—N336—Zn49	124.5 (18)	N335—C402—C403	118 (3)
C408—N336—Zn39	113.2 (16)	N335—C402—H402	121.1
C408—N336—Zn49	117.5 (16)	C403—C402—H402	121.1
C315—C316—C308	124.3 (14)	N323—C366—H366	118.1
C317—C316—C308	118.9 (15)	C367—C366—N323	124 (2)
C317—C316—C315	116.6 (15)	C367—C366—H366	118.1
N328—C379—C381	114.3 (17)	N324—C372—C371	117 (3)
N327—C379—N328	125.9 (16)	N324—C372—H372	121.5
N327—C379—C381	119.8 (17)	C371—C372—H372	121.5
C374—C375—C378	122.9 (19)	C363—C367—H367	120.3
C374—C375—C376	116.7 (18)	C366—C367—C363	119 (2)
C376—C375—C378	120.3 (18)	C366—C367—H367	120.3
N307—C323—H323	119.3	C11A—C10A—H10A	120.0
C322—C323—N307	121.5 (18)	C9A—C10A—C11A	120.0 (15)
C322—C323—H323	119.3	C9A—C10A—H10A	120.0
N304—C308—N302	126.1 (17)	C399—C400—H400	120.1
N304—C308—C316	121.3 (14)	C401—C400—C399	120 (3)
N302—C308—C316	112.5 (15)	C401—C400—H400	120.1
C390—N330—Zn37	120.6 (14)	C406—C407—H407	117.2
C390—N330—C386	119.7 (19)	C408—C407—C406	126 (3)
C390—N330—Zn47	107.6 (16)	C408—C407—H407	117.2
C386—N330—Zn37	116.5 (17)	N336—C408—H408	121.1
C386—N330—Zn47	130.8 (17)	C407—C408—N336	118 (3)
N321—C361—N322	123.7 (17)	C407—C408—H408	121.1
N321—C361—C363	119.1 (18)	O2A—C14A—H14A	109.5
N322—C361—C363	117.1 (16)	O2A—C14A—H14B	109.5
N315—C343—N316	124.7 (12)	O2A—C14A—H14C	109.5
N315—C343—C345	120.2 (14)	H14A—C14A—H14B	109.5
N316—C343—C345	115.0 (14)	H14A—C14A—H14C	109.5
C303—C304—H304	121.1	H14B—C14A—H14C	109.5
C303—C304—C305	117.8 (18)	C393—C392—H392	113.1
C305—C304—H304	121.1	C391—C392—C393	134 (4)
C352—C351—H351	120.7	C391—C392—H392	113.1
C350—C351—C352	118.7 (16)	N329^ii—Zn49—I418	106.5 (8)
C350—C351—H351	120.7	N329^ii—Zn49—I417	104.7 (8)
N315—C342—N314	124.5 (16)	N336—Zn49—N329^ii	100.5 (10)
N315—C342—C339	118.3 (14)	N336—Zn49—I418	108.9 (9)
N314—C342—C339	116.6 (13)	N336—Zn49—I417	107.8 (8)
N305—C311—H311	119.6	I418—Zn49—I417	125.6 (8)
N305—C311—C310	121 (2)	N311^ii—Zn41—N301	109.7 (11)
C310—C311—H311	119.6	N311^ii—Zn41—C330^ii	28.0 (9)
N319—C355—H355	117.6	N311^ii—Zn41—I402	108.8 (10)
C356—C355—N319	125 (2)	N311^ii—Zn41—I401	102.7 (11)
C356—C355—H355	117.6	N301—Zn41—C330^ii	104.2 (11)
C361—C363—C367	122 (2)	N301—Zn41—I402	104.6 (10)
C364—C363—C361	122.7 (16)	N301—Zn41—I401	106.7 (9)
C364—C363—C367	114.7 (18)	I402—Zn41—I401	124.0 (9)
N304—C307—N303	125.9 (16)	N319—Zn44—N318	99.5 (7)
N304—C307—C309	116.8 (15)	N319—Zn44—I407	107.9 (7)
N303—C307—C309	115.7 (14)	N319—Zn44—I408	112.5 (8)
N318—C350—H350	118.8	N318—Zn44—I407	107.5 (7)
C351—C350—N318	122.5 (17)	N318—Zn44—I408	104.5 (6)
C351—C350—H350	118.8	I407—Zn44—I408	122.3 (6)
N333—C396—N332	123 (2)	N317^i—Zn45—N323	104.0 (11)
N333—C396—C393	120 (2)	N317^i—Zn45—I409	105.8 (9)
N332—C396—C393	116 (2)	N317^i—Zn45—I410	106.8 (9)
C321—C320—H320	119.8	N323—Zn45—I409	110.1 (9)
C319—C320—C321	120.5 (18)	N323—Zn45—I410	104.9 (8)
C319—C320—H320	119.8	I410—Zn45—I409	123.6 (9)
C327—C328—H328	120.5	N330—Zn47—N331	88.8 (9)
C327—C328—C329	119 (2)	N330—Zn47—I414	118.5 (10)
C329—C328—H328	120.5	N330—Zn47—I413	97.1 (7)
N306—C318—H318	119.2	N331—Zn47—I414	123.3 (11)
N306—C318—C317	121.6 (17)	N331—Zn47—I413	95.6 (8)
C317—C318—H318	119.2	I414—Zn47—I413	125.2 (7)
N334—C398—N332	127 (2)	N312—Zn33—N313	101.0 (7)
N334—C398—C406	116.7 (19)	N312—Zn33—I306	107.9 (5)
N332—C398—C406	117 (2)	N312—Zn33—I305	106.6 (5)
C398—N332—C396	114 (2)	N313—Zn33—I306	110.7 (5)
C382—C381—C379	121.3 (19)	N313—Zn33—I305	107.8 (5)
C382—C381—C385	116 (2)	I306—Zn33—I305	120.9 (3)
C385—C381—C379	123.1 (19)	N307—Zn32—I303	110.4 (8)
N317—C348—H348	117.2	N307—Zn32—I304	109.1 (7)
N317—C348—C349	125.7 (18)	N306—Zn32—N307	101.9 (7)
C349—C348—H348	117.2	N306—Zn32—I303	106.1 (8)
C363—C364—H364	119.5	N306—Zn32—I304	101.8 (7)
C363—C364—C365	121.0 (17)	I303—Zn32—I304	124.7 (6)
C365—C364—H364	119.5	N305^iii—Zn48—I415	103.0 (9)
C405—C406—C398	122 (2)	N305^iii—Zn48—I416	117.3 (9)
C407—C406—C398	125 (2)	N335—Zn48—N305^iii	99.0 (10)
C407—C406—C405	113 (2)	N335—Zn48—I415	97.4 (9)
N302—C306—N303	126.2 (15)	N335—Zn48—I416	117.5 (11)
N302—C306—C303	119.4 (16)	I416—Zn48—I415	119.0 (9)
N303—C306—C303	113.8 (14)	N325—Zn46—I412	118.1 (9)
C395—N331—Zn37	101 (2)	N325—Zn46—I411	97.7 (8)
C395—N331—Zn47	132 (2)	N324—Zn46—N325	101.0 (9)
C391—N331—Zn37	126 (3)	N324—Zn46—I412	119.5 (9)
C391—N331—C395	133 (3)	N324—Zn46—I411	93.7 (9)
C391—N331—Zn47	94 (2)	I411—Zn46—I412	121.8 (5)
Zn34—N319—C355—C356	173.5 (13)	C396—N333—C397—C399	−171 (2)
Zn34—N319—C359—C358	−177.6 (16)	C396—C393—C392—C391	−168 (4)
Zn34—N318—C354—C353	−176.3 (18)	C320—C321—C322—C323	4 (3)
Zn34—N318—C350—C351	179.3 (16)	C320—C321—C324—N309	−1 (2)
Zn42—N307—C323—C322	173.9 (13)	C320—C321—C324—N308	−173.0 (16)
Zn42—N307—C319—C320	−174.3 (17)	C328—C327—C331—C330	7 (3)
Zn42—N306—C318—C317	−173.9 (19)	C318—N306—C314—C315	−2 (4)
Zn42—N306—C314—C315	170.5 (18)	C398—N334—C397—N333	−3 (3)
Zn43—N312—C336—C335	174.8 (16)	C398—N334—C397—C399	176 (2)
Zn43—N312—C332—C333	−176.2 (18)	C398—C406—C405—C404	174 (3)
Zn43—N313—C341—C340	180 (100)	C398—C406—C407—C408	−173 (4)
Zn43—N313—C337—C338	−180 (100)	N332—C396—C393—C394	−7 (4)
Zn35^vi—N317—C348—C349	172.2 (19)	N332—C396—C393—C392	168 (3)
Zn35^vi—N317—C347—C346	−177 (2)	N332—C398—C406—C405	−15 (4)
Zn35—N323—C365—C364	178.5 (16)	N332—C398—C406—C407	163 (3)
Zn35—N323—C366—C367	−179 (2)	C381—C382—C383—N329	−4 (4)
Zn31^iv—N311—C329—C328	−172.6 (15)	C348—N317—C347—C346	−2 (4)
Zn31^iv—N311—C330—C331	174 (2)	C364—C363—C367—C366	2 (4)
Zn31—N301—C305—C304	−172.6 (19)	C406—C398—N332—C396	−175 (2)
Zn31—N301—C301—C302	168 (3)	C406—C407—C408—N336	−10 (7)
Zn39^iv—N329—C384—C385	−176 (2)	C306—N302—C308—N304	−4 (3)
Zn39^iv—N329—C383—C382	178 (2)	C306—N302—C308—C316	173.4 (18)
Zn39—N336—C404—C405	179 (2)	C306—N303—C307—N304	8 (3)
Zn39—N336—C408—C407	−177 (3)	C306—N303—C307—C309	173.2 (17)
Zn38^v—N305—C311—C310	174 (2)	C306—C303—C302—C301	−180 (3)
Zn38^v—N305—C312—C313	−176.1 (18)	N331—C391—C392—C393	−7 (6)
Zn38—N335—C401—C400	168 (3)	C338—C339—C340—C341	1 (3)
Zn38—N335—C402—C403	−174 (2)	C338—C339—C342—N315	11 (3)
Zn36—N325—C373—C374	−179.4 (18)	C338—C339—C342—N314	−159.8 (18)
Zn36—N325—C377—C376	180 (100)	C310—C309—C307—N304	−175.7 (19)
Zn36—N324—C368—C369	−169 (3)	C310—C309—C307—N303	18 (3)
Zn36—N324—C372—C371	171 (3)	C310—C309—C313—C312	1 (3)
Zn37—N330—C390—C389	166.6 (18)	C315—C316—C308—N304	178 (2)
Zn37—N330—C386—C387	−169 (3)	C315—C316—C308—N302	0 (3)
Zn37—N331—C395—C394	−177.4 (17)	C315—C316—C317—C318	1 (4)
Zn37—N331—C391—C392	−176 (2)	C373—N325—C377—C376	1 (4)
N312—C336—C335—C334	4 (3)	C336—N312—C332—C333	5 (3)
N310—C325—C327—C328	176.0 (17)	C349—C345—C343—N315	−173 (2)
N310—C325—C327—C331	−4 (2)	C349—C345—C343—N316	5 (3)
N310—C326—C334—C333	−157.8 (19)	C349—C345—C346—C347	2 (4)
N310—C326—C334—C335	21 (3)	C329—N311—C330—C331	8 (4)
N313—C341—C340—C339	−1 (3)	C329—N311—C330—Zn41^iv	−165 (3)
N313—C337—C338—C339	1 (3)	C303—C304—C305—N301	6 (4)
N319—C359—C358—C357	4 (3)	C303—C302—C301—N301	4 (5)
N328—C379—C381—C382	177 (2)	C380—N328—C379—N327	2 (3)
N328—C379—C381—C385	−3 (3)	C380—N328—C379—C381	−176.1 (18)
N309—C325—C327—C328	3 (2)	C380—N326—C378—N327	−4 (3)
N309—C325—C327—C331	−177.5 (16)	C380—N326—C378—C375	−172.5 (17)
N302—C306—C303—C304	14 (3)	C380—C388—C389—C390	177 (2)
N302—C306—C303—C302	−170 (2)	C380—C388—C387—C386	−178 (3)
N327—C379—C381—C382	−1 (3)	C313—C309—C307—N304	3 (3)
N327—C379—C381—C385	179 (2)	C313—C309—C307—N303	−163 (2)
N305—C311—C310—C309	7 (4)	C313—C309—C310—C311	−4 (3)
N321—C360—N320—C362	−4 (3)	C312—N305—C311—C310	−7 (4)
N321—C360—C357—C356	12 (2)	C319—N307—C323—C322	−2 (2)
N321—C360—C357—C358	−164.4 (17)	C362—N322—C361—N321	3 (3)
N321—C361—C363—C364	20 (3)	C362—N322—C361—C363	−179.4 (18)
N321—C361—C363—C367	−151 (2)	C362—C370—C369—C368	−176 (3)
N308—C326—C334—C333	23 (2)	C362—C370—C371—C372	177 (3)
N308—C326—C334—C335	−158.1 (18)	C331—C327—C328—C329	−7 (3)
C352—C353—C354—N318	−3 (4)	C370—C371—C372—N324	6 (5)
C352—C351—C350—N318	−3 (3)	C7A—C4A—C3A—C2A	177.0 (19)
N317—C348—C349—C345	6 (4)	C7A—C12A—C11A—C10A	1 (3)
N323—C366—C367—C363	1 (4)	C7A—C8A—C9A—C10A	0 (3)
O3A—C12A—C11A—C10A	−178 (2)	C397—N333—C396—N332	−7 (3)
N306—C318—C317—C316	2 (4)	C397—N333—C396—C393	−177 (2)
C341—N313—C337—C338	−1 (3)	C397—N334—C398—N332	−3 (4)
C321—C322—C323—N307	0 (3)	C397—N334—C398—C406	176 (2)
C321—C320—C319—N307	2 (3)	C397—C399—C403—C402	175 (3)
C337—N313—C341—C340	1 (3)	C397—C399—C400—C401	180 (3)
C325—N310—C326—N308	3 (2)	C314—N306—C318—C317	−1 (4)
C325—N310—C326—C334	−176.7 (15)	C382—C381—C385—C384	3 (4)
C325—N309—C324—N308	−5 (2)	C5A—C6A—C1A—C2A	−3 (3)
C325—N309—C324—C321	−177.2 (14)	C5A—C4A—C3A—C2A	−3 (3)
C325—C327—C328—C329	172.6 (17)	C346—C345—C343—N315	11 (3)
C325—C327—C331—C330	−172.5 (19)	C346—C345—C343—N316	−171.0 (19)
C322—C321—C324—N309	−177.6 (15)	C346—C345—C349—C348	−6 (3)
C322—C321—C324—N308	10 (2)	C390—N330—C386—C387	−9 (6)
C322—C321—C320—C319	−4 (3)	C394—C393—C392—C391	8 (6)
O2A—C8A—C9A—C10A	−180 (2)	C359—N319—C355—C356	−5 (2)
C356—C357—C358—C359	−6 (3)	C384—N329—C383—C382	6 (4)
C326—N310—C325—N309	−2 (2)	C333—C334—C335—C336	−1 (3)
C326—N310—C325—C327	−174.6 (14)	C374—C375—C378—N327	−2 (3)
C326—N308—C324—N309	6 (2)	C374—C375—C378—N326	167 (2)
C326—N308—C324—C321	177.7 (13)	C374—C375—C376—C377	−3 (4)
C326—C334—C333—C332	179 (2)	N324—C368—C369—C370	−8 (6)
C326—C334—C335—C336	179.7 (18)	C335—C334—C333—C332	0 (3)
N335—C401—C400—C399	8 (6)	C365—N323—C366—C367	−5 (4)
N303—C306—C303—C304	−174 (2)	C317—C316—C308—N304	2 (3)
N303—C306—C303—C302	2 (3)	C317—C316—C308—N302	−176 (2)
C353—C352—C344—N316	−2 (3)	C317—C316—C315—C314	−4 (4)
C353—C352—C344—N314	173.9 (19)	C404—N336—C408—C407	14 (5)
C353—C352—C351—C350	0 (3)	C405—C406—C407—C408	5 (6)
N322—C361—C363—C364	−158 (2)	C378—N327—C379—N328	−2 (3)
N322—C361—C363—C367	31 (3)	C378—N327—C379—C381	176.7 (18)
N322—C362—C370—C369	161 (3)	C378—N326—C380—N328	5 (3)
N322—C362—C370—C371	−21 (4)	C378—N326—C380—C388	−179.6 (17)
C327—C328—C329—N311	8 (3)	C378—C375—C374—C373	−178 (2)
C327—C331—C330—N311	−8 (4)	C378—C375—C376—C377	178 (2)
C327—C331—C330—Zn41^iv	8 (8)	C6A—C5A—C4A—C7A	−178 (2)
N329—C384—C385—C381	−1 (4)	C6A—C5A—C4A—C3A	2 (3)
C309—C313—C312—N305	−2 (4)	C6A—C5A—C13A—O1A	−26 (3)
N325—C373—C374—C375	−2 (4)	C6A—C1A—C2A—C3A	2 (3)
C344—N316—C343—N315	−3 (3)	C393—C396—N332—C398	172 (2)
C344—N316—C343—C345	178.8 (16)	C393—C394—C395—N331	−6 (4)
C344—N314—C342—N315	2 (3)	C1A—C2A—C3A—C4A	1 (3)
C344—N314—C342—C339	172.9 (16)	C305—N301—C301—C302	0 (5)
C344—C352—C353—C354	−177 (2)	C305—C304—C303—C306	175 (2)
C344—C352—C351—C350	−179.6 (19)	C305—C304—C303—C302	−1 (4)
C360—N321—C361—N322	−5 (3)	C385—C381—C382—C383	−1 (4)
C360—N321—C361—C363	176.9 (16)	C4A—C7A—C12A—O3A	3 (2)
C360—N320—C362—N322	1 (3)	C4A—C7A—C12A—C11A	−176 (2)
C360—N320—C362—C370	178.1 (19)	C4A—C7A—C8A—O2A	−5 (2)
C360—C357—C358—C359	170.4 (17)	C4A—C7A—C8A—C9A	175 (2)
C340—C339—C342—N315	−169.3 (17)	C4A—C5A—C6A—C1A	1 (4)
C340—C339—C342—N314	20 (3)	C4A—C5A—C13A—O1A	158 (2)
C340—C339—C338—C337	−1 (3)	C399—C403—C402—N335	3 (5)
N333—C396—N332—C398	2 (3)	C376—C375—C374—C373	4 (3)
N333—C396—C393—C394	163 (3)	C376—C375—C378—N327	176 (2)
N333—C396—C393—C392	−22 (4)	C376—C375—C378—N326	−15 (3)
N333—C397—C399—C403	−159 (3)	C12A—C7A—C4A—C5A	−110 (2)
N333—C397—C399—C400	12 (4)	C12A—C7A—C4A—C3A	70 (3)
N320—C360—C357—C356	−166.6 (16)	C12A—C7A—C8A—O2A	−180 (2)
N320—C360—C357—C358	17 (3)	C12A—C7A—C8A—C9A	0.3 (19)
N320—C362—C370—C369	−16 (4)	C12A—C11A—C10A—C9A	−1 (4)
N320—C362—C370—C371	161 (2)	C301—N301—C305—C304	−5 (4)
C388—C389—C390—N330	−6 (4)	C8A—C7A—C4A—C5A	76 (3)
C388—C387—C386—N330	7 (6)	C8A—C7A—C4A—C3A	−104 (2)
C357—C356—C355—N319	3 (3)	C8A—C7A—C12A—O3A	178 (2)
C357—C360—N320—C362	174.9 (16)	C8A—C7A—C12A—C11A	−1.1 (19)
C345—C346—C347—N317	2 (5)	C8A—C9A—C10A—C11A	0 (4)
C324—N309—C325—N310	3 (2)	C332—N312—C336—C335	−6 (3)
C324—N309—C325—C327	175.9 (13)	C377—N325—C373—C374	0 (4)
C324—N308—C326—N310	−4 (2)	C383—N329—C384—C385	−4 (4)
C324—N308—C326—C334	175.0 (13)	C347—N317—C348—C349	−2 (4)
C324—C321—C322—C323	−179.1 (16)	C401—N335—C402—C403	−4 (5)
C324—C321—C320—C319	178.4 (18)	C368—N324—C372—C371	−7 (5)
C389—C388—C380—N328	0 (3)	C15A—O3A—C12A—C7A	175 (2)
C389—C388—C380—N326	−175 (2)	C15A—O3A—C12A—C11A	−6 (4)
C389—C388—C387—C386	−5 (4)	C330—N311—C329—C328	−8 (3)
C354—N318—C350—C351	3 (3)	C387—C388—C389—C390	5 (4)
C334—C333—C332—N312	−2 (4)	C387—C388—C380—N328	173 (2)
N334—C398—N332—C396	3 (3)	C387—C388—C380—N326	−2 (3)
N334—C398—C406—C405	166 (2)	C386—N330—C390—C389	7 (4)
N334—C398—C406—C407	−15 (4)	C13A—C5A—C6A—C1A	−176 (2)
N334—C397—C399—C403	22 (4)	C13A—C5A—C4A—C7A	−2 (3)
N334—C397—C399—C400	−167 (3)	C13A—C5A—C4A—C3A	179 (2)
N336—C404—C405—C406	9 (4)	C403—C399—C400—C401	−9 (5)
C316—C315—C314—N306	5 (4)	C369—C370—C371—C372	−6 (5)
C379—N328—C380—N326	−4 (3)	C371—C370—C369—C368	7 (6)
C379—N328—C380—C388	−179.5 (17)	C395—N331—C391—C392	−3 (6)
C379—N327—C378—N326	3 (3)	C395—C394—C393—C396	175 (2)
C379—N327—C378—C375	170.6 (17)	C395—C394—C393—C392	0 (4)
C379—C381—C382—C383	179 (2)	C391—N331—C395—C394	9 (5)
C379—C381—C385—C384	−177 (2)	C402—N335—C401—C400	−1 (5)
C375—C376—C377—N325	1 (4)	C366—N323—C365—C364	5 (3)
C323—N307—C319—C320	2 (3)	C372—N324—C368—C369	8 (6)
C308—N304—C307—N303	−8 (3)	C367—C363—C364—C365	−2 (3)
C308—N304—C307—C309	−172.6 (18)	C400—C399—C403—C402	4 (5)
C308—N302—C306—N303	5 (3)	C407—C406—C405—C404	−4 (4)
C308—N302—C306—C303	175.7 (17)	C408—N336—C404—C405	−13 (4)
C308—C316—C315—C314	−180 (2)	C14A—O2A—C8A—C7A	176 (2)
C308—C316—C317—C318	177 (2)	C14A—O2A—C8A—C9A	−4 (4)
C361—N321—C360—N320	6 (3)	Zn49^iv—N329—C384—C385	−173.2 (19)
C361—N321—C360—C357	−172.7 (15)	Zn49^iv—N329—C383—C382	176 (2)
C361—N322—C362—N320	0 (3)	Zn49—N336—C404—C405	176 (2)
C361—N322—C362—C370	−178 (2)	Zn49—N336—C408—C407	−174 (3)
C361—C363—C364—C365	−173.8 (19)	Zn41^iv—N311—C329—C328	−169.8 (17)
C361—C363—C367—C366	174 (2)	Zn41^iv—N311—C330—C331	173 (2)
C343—N315—C342—N314	−2 (3)	Zn41—N301—C305—C304	178 (2)
C343—N315—C342—C339	−172.1 (17)	Zn41—N301—C301—C302	178 (3)
C343—N316—C344—N314	4 (3)	Zn44—N319—C355—C356	174.5 (14)
C343—N316—C344—C352	179.4 (16)	Zn44—N319—C359—C358	−178.5 (15)
C343—C345—C349—C348	178 (2)	Zn44—N318—C354—C353	−174.3 (18)
C343—C345—C346—C347	179 (2)	Zn44—N318—C350—C351	177.5 (17)
C304—C303—C302—C301	−3 (4)	Zn45—N323—C365—C364	177.0 (17)
C351—C352—C353—C354	3 (3)	Zn45—N323—C366—C367	−177 (2)
C351—C352—C344—N316	178.5 (18)	Zn47—N330—C390—C389	−159 (2)
C351—C352—C344—N314	−6 (3)	Zn47—N330—C386—C387	154 (3)
C342—N315—C343—N316	2 (3)	Zn47—N331—C395—C394	178.8 (19)
C342—N315—C343—C345	179.9 (17)	Zn47—N331—C391—C392	−176 (3)
C342—N314—C344—N316	−4 (3)	Zn33—N312—C336—C335	175.9 (16)
C342—N314—C344—C352	−178.9 (16)	Zn33—N312—C332—C333	−177.3 (18)
C342—C339—C340—C341	−178.5 (17)	Zn33—N313—C341—C340	179 (100)
C342—C339—C338—C337	178.7 (19)	Zn33—N313—C337—C338	−179 (100)
C311—N305—C312—C313	5 (4)	Zn32—N307—C323—C322	172.1 (13)
C355—N319—C359—C358	1 (3)	Zn32—N307—C319—C320	−172.8 (18)
C355—C356—C357—C360	−174.0 (16)	Zn32—N306—C318—C317	−171.6 (19)
C355—C356—C357—C358	2 (3)	Zn32—N306—C314—C315	167.8 (19)
C363—C364—C365—N323	−1 (3)	Zn48^v—N305—C311—C310	−179.4 (19)
C307—N304—C308—N302	5 (3)	Zn48^v—N305—C312—C313	179 (100)
C307—N304—C308—C316	−172.0 (19)	Zn48—N335—C401—C400	177 (3)
C307—N303—C306—N302	−7 (3)	Zn48—N335—C402—C403	178 (2)
C307—N303—C306—C303	−178.0 (17)	Zn46—N325—C373—C374	−176 (2)
C307—C309—C310—C311	175 (2)	Zn46—N325—C377—C376	175.5 (19)
C307—C309—C313—C312	−178 (2)	Zn46—N324—C368—C369	176 (3)
C350—N318—C354—C353	0 (3)	Zn46—N324—C372—C371	−173 (2)
C396—N333—C397—N334	8 (3)

Symmetry codes: (i) x, −y, z−1/2; (ii) x, −y+1, z−1/2; (iii) x+1/2, y−1/2, z; (iv) x, −y+1, z+1/2; (v) x−1/2, y+1/2, z; (vi) x, −y, z+1/2.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (25_5_96b)

Crystal data

C108H72I18N36Zn9·0.964(C15H16O3)·1.89(C6H12)	F(000) = 19296
Mr = 5140.97	Dx = 1.418 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 78.4975 (16) Å	Cell parameters from 21047 reflections
b = 14.9701 (2) Å	θ = 2.2–73.3°
c = 41.6228 (6) Å	µ = 19.41 mm^−1
β = 100.008 (2)°	T = 100 K
V = 48167.3 (14) Å^3	Block, light yellow
Z = 8	0.19 × 0.18 × 0.07 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	44037 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	31697 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.062
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.2°
profile data from ω–scans	h = −94→94
Absorption correction: analytical CrysAlisPro 1.171.41.122a (Rigaku Oxford Diffraction, 2021) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −17→18
Tmin = 0.089, Tmax = 0.383	l = −50→50
224407 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.093	H-atom parameters constrained
wR(F^2) = 0.285	w = 1/[σ^2(Fo^2) + (0.1206P)^2 + 875.7648P] where P = (Fo^2 + 2Fc^2)/3
S = 1.08	(Δ/σ)max = 0.005
44037 reflections	Δρmax = 1.96 e Å^−3
2493 parameters	Δρmin = −1.25 e Å^−3
1166 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I311	0.41402 (5)	0.0026 (2)	0.74200 (8)	0.0575 (6)	0.5562
I404	0.54807 (17)	−0.3941 (13)	0.7185 (5)	0.114 (4)	0.32 (3)
I307	0.55813 (7)	0.4656 (3)	0.84022 (9)	0.0640 (7)	0.539
I308	0.55969 (8)	0.4677 (4)	0.94552 (16)	0.0757 (12)	0.539
I403	0.60299 (10)	−0.4642 (5)	0.7678 (2)	0.068 (2)	0.32 (3)
I313	0.39717 (15)	0.9681 (7)	0.5980 (2)	0.075 (3)	0.3265
I310	0.37785 (8)	0.8939 (6)	0.8983 (2)	0.0771 (14)	0.496 (3)
I405	0.57961 (11)	−0.4961 (5)	1.0573 (2)	0.096 (3)	0.2955
I309	0.43198 (7)	1.0010 (3)	0.93199 (14)	0.0805 (10)	0.496 (3)
I312	0.36549 (6)	0.1594 (4)	0.74526 (10)	0.0773 (8)	0.5562
I314	0.39243 (12)	0.9073 (4)	0.4916 (2)	0.083 (2)	0.3265
I406	0.53276 (12)	−0.3278 (10)	1.0682 (3)	0.097 (3)	0.2955
I318	0.19787 (8)	0.6660 (9)	0.4057 (2)	0.091 (2)	0.51 (4)
I317	0.24691 (11)	0.5178 (4)	0.3993 (3)	0.091 (2)	0.51 (4)
I301	0.73031 (12)	0.0074 (6)	0.7510 (2)	0.0635 (12)	0.3966
I316	0.21720 (3)	1.38854 (18)	0.55579 (7)	0.0993 (7)	0.624 (3)
I302	0.72777 (15)	0.0808 (8)	0.6465 (2)	0.081 (2)	0.3966
I315	0.27104 (7)	1.4788 (3)	0.60086 (9)	0.1228 (11)	0.624 (3)
Zn42	0.57849 (11)	−0.3554 (6)	0.7475 (3)	0.069 (5)	0.32 (3)
Zn36	0.39673 (7)	0.1472 (4)	0.74003 (11)	0.0465 (12)	0.5562
Zn43	0.5629 (3)	−0.3507 (16)	1.0550 (6)	0.0661 (12)	0.2955
Zn34	0.54758 (10)	0.4050 (4)	0.88979 (19)	0.068 (4)	0.539
Zn35	0.40943 (13)	0.8779 (6)	0.9233 (3)	0.064 (2)	0.496 (3)
Zn39	0.22876 (8)	0.6600 (5)	0.39635 (18)	0.067 (4)	0.51 (4)
Zn37	0.38470 (18)	0.8786 (7)	0.5474 (3)	0.073 (8)	0.3265
Zn31	0.71827 (16)	0.1009 (11)	0.7016 (4)	0.055 (3)	0.3966
Zn38	0.24756 (7)	1.3641 (4)	0.58635 (13)	0.0842 (14)	0.624 (3)
N310	0.55668 (13)	−0.0557 (5)	0.92199 (19)	0.051 (2)
N309	0.56379 (13)	−0.1885 (5)	0.89680 (18)	0.051 (2)
N308	0.55791 (12)	−0.0573 (5)	0.86554 (19)	0.049 (2)
N316	0.43259 (13)	0.4853 (5)	0.8478 (2)	0.055 (2)
N312	0.54997 (15)	0.2674 (6)	0.8902 (2)	0.064 (3)
N332	0.23258 (13)	0.8079 (6)	0.2368 (2)	0.058 (2)
N306	0.58935 (15)	−0.2579 (5)	0.7217 (2)	0.058 (2)
N320	0.39560 (14)	0.4289 (5)	0.60275 (19)	0.057 (2)
N315	0.46039 (15)	0.5362 (6)	0.8734 (2)	0.058 (2)
N304	0.60277 (13)	0.0221 (6)	0.6663 (2)	0.054 (2)
N307	0.57339 (14)	−0.2842 (5)	0.78630 (19)	0.059 (3)
N318	0.40981 (14)	0.2314 (6)	0.7741 (2)	0.057 (2)
N321	0.40211 (16)	0.2915 (5)	0.5803 (2)	0.066 (3)
N313	0.52157 (15)	0.4225 (6)	0.8825 (2)	0.065 (3)
N333	0.22475 (14)	0.9442 (6)	0.2594 (2)	0.063 (2)
N314	0.45747 (15)	0.4030 (5)	0.84222 (18)	0.056 (2)
N305	0.57900 (16)	0.2669 (6)	0.5894 (2)	0.064 (3)
N323	0.40908 (16)	0.1877 (5)	0.4677 (2)	0.068 (3)
N334	0.22774 (13)	0.9335 (6)	0.2035 (2)	0.057 (2)
N317	0.42089 (17)	0.7766 (6)	0.8996 (2)	0.069 (3)
C321	0.56566 (14)	−0.1927 (6)	0.8399 (2)	0.046 (2)
O2A	0.47716 (17)	0.0310 (7)	0.7079 (3)	0.072 (3)	0.7253
N311	0.56462 (16)	−0.2804 (5)	1.0131 (2)	0.066 (3)
N324	0.38745 (15)	0.7436 (7)	0.5562 (3)	0.071 (3)
N302	0.63034 (15)	−0.0281 (6)	0.6908 (2)	0.062 (2)
N322	0.39591 (15)	0.4172 (6)	0.5460 (2)	0.065 (3)
C345	0.42975 (17)	0.3504 (6)	0.8156 (2)	0.055 (3)
O3A	0.45879 (15)	0.0717 (7)	0.8078 (3)	0.067 (3)	0.7253
C344	0.44344 (17)	0.5435 (6)	0.8659 (2)	0.054 (3)
C327	0.56179 (16)	−0.1913 (6)	0.9541 (2)	0.051 (3)
N319	0.39923 (15)	0.2136 (6)	0.6965 (2)	0.066 (3)
C324	0.56206 (15)	−0.1436 (6)	0.8692 (2)	0.047 (2)
N328	0.26983 (15)	0.9757 (7)	0.5087 (2)	0.071 (3)
C317	0.58821 (16)	−0.1370 (7)	0.6842 (2)	0.056 (3)
H317	0.581566	−0.102656	0.667324	0.067*
C334	0.55304 (14)	0.0822 (6)	0.8921 (2)	0.047 (2)
N327	0.29808 (17)	1.0194 (7)	0.5319 (3)	0.076 (3)
C346	0.43678 (17)	0.2753 (7)	0.8043 (3)	0.060 (3)
H346	0.448810	0.263785	0.810315	0.072*
C326	0.55573 (15)	−0.0167 (6)	0.8933 (2)	0.050 (2)
C339	0.48581 (17)	0.4496 (7)	0.8686 (3)	0.059 (3)
C325	0.56057 (16)	−0.1419 (6)	0.9230 (2)	0.051 (3)
N325	0.35822 (16)	0.8961 (7)	0.5388 (3)	0.079 (3)
C316	0.60544 (16)	−0.1163 (7)	0.6954 (2)	0.052 (3)
N331	0.22978 (16)	0.7255 (6)	0.3526 (3)	0.072 (3)
C308	0.61338 (16)	−0.0356 (6)	0.6839 (2)	0.050 (2)
C343	0.44055 (16)	0.4149 (6)	0.8368 (2)	0.050 (2)
N330	0.24335 (16)	0.7427 (8)	0.4297 (3)	0.077 (3)
N303	0.62785 (16)	0.1023 (7)	0.6592 (3)	0.073 (3)
C320	0.57128 (18)	−0.2792 (7)	0.8429 (3)	0.064 (3)
H320	0.572505	−0.309179	0.863332	0.077*
C370	0.39166 (17)	0.5600 (7)	0.5680 (3)	0.058 (3)
O1A	0.50468 (12)	0.2437 (7)	0.8007 (3)	0.074 (3)	0.7253
H1A	0.506588	0.266707	0.783258	0.110*	0.7253
C361	0.40002 (17)	0.3306 (7)	0.5519 (2)	0.058 (3)
C332	0.54778 (17)	0.2199 (7)	0.8632 (3)	0.059 (3)
H332	0.544925	0.250672	0.843043	0.071*
C333	0.54937 (15)	0.1284 (6)	0.8623 (2)	0.052 (2)
H333	0.548016	0.097430	0.842147	0.062*
C396	0.22867 (16)	0.8585 (7)	0.2615 (3)	0.057 (3)
C336	0.55349 (19)	0.2215 (7)	0.9189 (3)	0.069 (4)
H336	0.555150	0.254269	0.938793	0.083*
C397	0.23188 (17)	0.8485 (7)	0.2093 (3)	0.059 (3)
C347	0.42655 (19)	0.2174 (7)	0.7844 (3)	0.063 (3)
H347	0.431626	0.164640	0.777524	0.075*
C342	0.46671 (16)	0.4632 (7)	0.8610 (2)	0.056 (3)
N335	0.21997 (18)	1.2613 (8)	0.2157 (4)	0.089 (4)
C362	0.39409 (18)	0.4635 (7)	0.5725 (3)	0.061 (3)
C352	0.43502 (19)	0.6260 (7)	0.8766 (3)	0.061 (3)
C309	0.60011 (17)	0.1527 (7)	0.6324 (3)	0.062 (3)
N326	0.29409 (15)	0.8910 (7)	0.4996 (3)	0.072 (3)
C318	0.58095 (17)	−0.2071 (7)	0.6976 (2)	0.057 (3)
H318	0.569187	−0.220743	0.689393	0.069*
C357	0.39963 (18)	0.2979 (7)	0.6370 (2)	0.062 (3)
C360	0.39914 (19)	0.3441 (7)	0.6050 (3)	0.066 (3)
C319	0.5752 (2)	−0.3224 (7)	0.8154 (3)	0.072 (4)
H319	0.579295	−0.382150	0.817692	0.087*
C329	0.56934 (17)	−0.3166 (7)	0.9872 (2)	0.059 (3)
H329	0.573956	−0.375352	0.989388	0.071*
C399	0.23641 (18)	0.7969 (7)	0.1816 (3)	0.067 (3)
C379	0.2813 (2)	1.0305 (8)	0.5266 (3)	0.071 (3)
C312	0.57327 (19)	0.2221 (9)	0.6118 (3)	0.073 (3)
H312	0.561476	0.230030	0.613747	0.087*
C363	0.40308 (19)	0.2790 (7)	0.5219 (3)	0.067 (3)
C354	0.4113 (2)	0.7178 (8)	0.8819 (3)	0.069 (3)
H354	0.399138	0.727450	0.877284	0.083*
C322	0.56378 (18)	−0.1516 (6)	0.8098 (3)	0.061 (3)
H322	0.560063	−0.091272	0.807189	0.074*
C328	0.56810 (16)	−0.2758 (6)	0.9572 (2)	0.056 (3)
H328	0.571548	−0.305781	0.939228	0.068*
C307	0.61083 (17)	0.0888 (7)	0.6542 (3)	0.061 (3)
C406	0.22219 (16)	1.0770 (7)	0.2257 (3)	0.064 (3)
C313	0.58301 (19)	0.1636 (8)	0.6333 (3)	0.072 (4)
H313	0.577774	0.131219	0.648642	0.086*
C364	0.40609 (19)	0.1887 (7)	0.5238 (3)	0.068 (3)
H364	0.406264	0.156904	0.543560	0.082*
N336	0.2452 (2)	0.7049 (7)	0.1293 (3)	0.092 (4)
C335	0.55470 (19)	0.1319 (7)	0.9204 (3)	0.066 (3)
H335	0.556715	0.102772	0.940971	0.080*
C400	0.24115 (18)	0.7087 (8)	0.1850 (3)	0.069 (3)
H400	0.241306	0.678316	0.205047	0.083*
C393	0.22870 (17)	0.8118 (7)	0.2927 (3)	0.067 (3)
C349	0.41223 (19)	0.3631 (8)	0.8061 (3)	0.068 (3)
H349	0.406715	0.413912	0.813317	0.081*
C353	0.4179 (2)	0.6415 (8)	0.8694 (3)	0.067 (3)
H353	0.410478	0.601013	0.856130	0.081*
C398	0.22471 (17)	0.9783 (7)	0.2299 (3)	0.061 (3)
C371	0.3880 (2)	0.5952 (8)	0.5367 (3)	0.074 (4)
H371	0.386982	0.556117	0.518524	0.088*
C7A	0.4681 (2)	0.0475 (7)	0.7580 (3)	0.054 (3)	0.7253
C356	0.40316 (19)	0.2087 (8)	0.6412 (3)	0.069 (3)
H356	0.405613	0.174335	0.623326	0.083*
N329	0.2595 (2)	1.2602 (9)	0.5635 (3)	0.099 (5)
C4A	0.46572 (11)	0.1459 (4)	0.7512 (2)	0.051 (3)	0.7253
C5A	0.47671 (10)	0.2098 (5)	0.7678 (2)	0.062 (4)	0.7253
C6A	0.47365 (13)	0.3000 (5)	0.7613 (2)	0.070 (5)	0.7253
H6A	0.481167	0.343650	0.772709	0.084*	0.7253
C1A	0.45961 (15)	0.3263 (4)	0.7381 (2)	0.071 (5)	0.7253
H1AA	0.457517	0.387955	0.733693	0.085*	0.7253
C2A	0.44861 (12)	0.2624 (6)	0.7215 (2)	0.064 (4)	0.7253
H2A	0.439013	0.280403	0.705648	0.077*	0.7253
C3A	0.45167 (11)	0.1722 (5)	0.7280 (2)	0.055 (4)	0.7253
H3A	0.444157	0.128544	0.716618	0.066*	0.7253
C306	0.63718 (19)	0.0432 (8)	0.6782 (3)	0.067 (3)
C348	0.4030 (2)	0.3024 (8)	0.7864 (3)	0.072 (3)
H348	0.390870	0.310970	0.780834	0.087*
C355	0.4032 (2)	0.1687 (8)	0.6705 (3)	0.073 (4)
H355	0.406097	0.107162	0.672827	0.088*
C375	0.3227 (2)	0.9284 (10)	0.5258 (4)	0.081 (4)
C378	0.3036 (2)	0.9469 (9)	0.5190 (3)	0.078 (4)
C372	0.3859 (2)	0.6859 (9)	0.5315 (3)	0.084 (4)
H372	0.383259	0.707616	0.509748	0.100*
C368	0.39030 (19)	0.7107 (8)	0.5863 (3)	0.073 (3)
H368	0.390853	0.751020	0.604040	0.087*
C388	0.26545 (19)	0.8492 (9)	0.4731 (3)	0.074 (4)
C303	0.65606 (18)	0.0566 (9)	0.6857 (4)	0.075 (4)
C359	0.3962 (2)	0.3001 (8)	0.6930 (3)	0.087 (5)
H359	0.394078	0.333371	0.711328	0.104*
N301	0.69150 (17)	0.0847 (7)	0.6999 (4)	0.105 (5)
C315	0.61456 (18)	−0.1699 (8)	0.7199 (3)	0.068 (3)
H315	0.626472	−0.159036	0.727783	0.082*
C338	0.4938 (2)	0.3970 (9)	0.8492 (3)	0.077 (4)
H338	0.487393	0.368180	0.830614	0.093*
C391	0.2339 (2)	0.6826 (8)	0.3273 (3)	0.077 (4)
H391	0.237388	0.621805	0.329667	0.092*
C341	0.5132 (2)	0.4713 (10)	0.9020 (3)	0.081 (4)
H341	0.519662	0.495992	0.921375	0.097*
C351	0.4456 (2)	0.6881 (9)	0.8948 (4)	0.083 (4)
H351	0.457797	0.680606	0.899232	0.099*
C331	0.5566 (2)	−0.1517 (7)	0.9807 (3)	0.078 (4)
H331	0.552227	−0.092387	0.979235	0.094*
C323	0.56740 (19)	−0.1997 (7)	0.7839 (3)	0.067 (3)
H323	0.565581	−0.171979	0.763006	0.080*
C358	0.3961 (2)	0.3445 (7)	0.6637 (3)	0.077 (4)
H358	0.393534	0.406576	0.661990	0.092*
C380	0.27721 (19)	0.9081 (9)	0.4957 (3)	0.072 (3)
C314	0.6062 (2)	−0.2384 (9)	0.7324 (3)	0.073 (4)
H314	0.612500	−0.273772	0.749377	0.088*
C381	0.2742 (2)	1.1118 (10)	0.5391 (4)	0.086 (4)
C369	0.3925 (2)	0.6212 (8)	0.5930 (3)	0.076 (4)
H369	0.394613	0.601245	0.614972	0.092*
C340	0.4956 (2)	0.4871 (10)	0.8954 (3)	0.084 (4)
H340	0.490358	0.524047	0.909525	0.101*
C392	0.2333 (2)	0.7234 (8)	0.2976 (3)	0.080 (4)
H392	0.236156	0.689763	0.279961	0.096*
C390	0.2374 (2)	0.7971 (10)	0.4496 (4)	0.085 (4)
H390	0.225216	0.799498	0.448843	0.102*
C365	0.40886 (19)	0.1460 (8)	0.4959 (3)	0.070 (4)
H365	0.410722	0.083280	0.496830	0.085*
C394	0.2243 (2)	0.8554 (9)	0.3198 (3)	0.086 (4)
H394	0.220867	0.916367	0.318224	0.103*
C404	0.2209 (2)	1.2277 (9)	0.2446 (5)	0.090 (5)
H404	0.221028	1.267952	0.262253	0.107*
C8A	0.4736 (2)	−0.0090 (8)	0.7357 (4)	0.068 (4)	0.7253
C385	0.2569 (3)	1.1362 (10)	0.5288 (4)	0.097 (5)
H385	0.249769	1.100853	0.512976	0.117*
C408	0.2198 (2)	1.2079 (9)	0.1901 (5)	0.100 (5)
H408	0.218645	1.232528	0.168746	0.120*
C337	0.5117 (2)	0.3861 (9)	0.8571 (3)	0.081 (4)
H337	0.517178	0.349751	0.843176	0.097*
C330	0.5578 (3)	−0.1982 (7)	1.0092 (3)	0.094 (6)
H330	0.553595	−0.171327	1.026934	0.113*
C11A	0.4658 (2)	−0.0794 (9)	0.7924 (5)	0.081 (6)	0.7253
H11A	0.463219	−0.103790	0.812112	0.098*	0.7253
C389	0.2475 (2)	0.8501 (11)	0.4713 (3)	0.087 (4)
H389	0.242413	0.888018	0.485301	0.104*
C401	0.2457 (2)	0.6648 (9)	0.1581 (4)	0.086 (4)
H401	0.249370	0.604269	0.160380	0.104*
C407	0.2213 (2)	1.1150 (9)	0.1946 (4)	0.090 (5)
H407	0.221781	1.077390	0.176422	0.108*
C12A	0.4640 (2)	0.0115 (8)	0.7866 (4)	0.066 (4)	0.7253
C405	0.2217 (2)	1.1344 (9)	0.2518 (4)	0.089 (4)
H405	0.221937	1.112709	0.273317	0.107*
C14A	0.4846 (3)	−0.0227 (13)	0.6854 (5)	0.085 (6)	0.7253
H14A	0.486470	0.014133	0.666815	0.128*	0.7253
H14B	0.476791	−0.072022	0.677607	0.128*	0.7253
H14C	0.495738	−0.046742	0.696361	0.128*	0.7253
C395	0.2249 (3)	0.8108 (9)	0.3488 (4)	0.098 (5)
H395	0.221770	0.841720	0.366781	0.117*
C376	0.3304 (3)	0.8701 (14)	0.5074 (5)	0.126 (8)
H376	0.323653	0.839236	0.489694	0.151*
C366	0.4066 (3)	0.2742 (9)	0.4682 (3)	0.115 (7)
H366	0.406907	0.305468	0.448454	0.139*
C305	0.6835 (2)	0.0314 (15)	0.7172 (7)	0.155 (11)
H305	0.690073	0.003559	0.735871	0.186*
C384	0.2501 (3)	1.2122 (10)	0.5416 (4)	0.105 (6)
H384	0.238344	1.228348	0.534031	0.126*
C304	0.6666 (2)	0.0139 (12)	0.7100 (6)	0.123 (8)
H304	0.661768	−0.029759	0.722431	0.148*
C403	0.2364 (3)	0.8383 (9)	0.1524 (4)	0.106 (6)
H403	0.233852	0.900254	0.150066	0.127*
C367	0.4036 (3)	0.3240 (7)	0.4940 (3)	0.123 (8)
H367	0.401933	0.386847	0.492466	0.148*
C373	0.3503 (2)	0.9499 (14)	0.5569 (5)	0.120 (7)
H373	0.357111	0.975820	0.575668	0.144*
C377	0.3489 (2)	0.8555 (13)	0.5148 (6)	0.130 (8)
H377	0.354252	0.815528	0.501815	0.156*
C9A	0.4758 (2)	−0.0999 (8)	0.7421 (4)	0.083 (6)	0.7253
H9A	0.480421	−0.137733	0.727399	0.100*	0.7253
C302	0.6640 (2)	0.1127 (14)	0.6674 (6)	0.128 (8)
H302	0.657546	0.143403	0.649333	0.153*
C10A	0.4712 (2)	−0.1338 (10)	0.7701 (4)	0.089 (6)	0.7253
H10A	0.471883	−0.196378	0.773870	0.107*	0.7253
C13A	0.4915 (2)	0.1799 (10)	0.7936 (4)	0.076 (5)	0.7253
H13A	0.486944	0.165958	0.813769	0.091*	0.7253
H13B	0.496380	0.124216	0.786149	0.091*	0.7253
C350	0.4377 (3)	0.7624 (10)	0.9067 (4)	0.094 (5)
H350	0.444766	0.803931	0.920268	0.112*
C301	0.6819 (2)	0.1248 (14)	0.6755 (6)	0.140 (9)
H301	0.687390	0.164255	0.662552	0.168*
C382	0.2836 (3)	1.1657 (11)	0.5621 (5)	0.116 (7)
H382	0.295543	1.153152	0.569501	0.139*
C374	0.3336 (3)	0.9704 (12)	0.5507 (5)	0.116 (7)
H374	0.329104	1.014130	0.563571	0.139*
C402	0.2401 (4)	0.7894 (10)	0.1261 (4)	0.141 (9)
H402	0.238909	0.817054	0.105286	0.170*
C310	0.6069 (2)	0.1978 (13)	0.6073 (5)	0.116 (7)
H310	0.618633	0.189904	0.604671	0.139*
C383	0.2757 (3)	1.2412 (14)	0.5754 (5)	0.117 (7)
H383	0.282133	1.276456	0.592325	0.141*
C311	0.5958 (2)	0.2537 (13)	0.5867 (5)	0.116 (7)
H311	0.600247	0.284370	0.569948	0.139*
C387	0.2718 (2)	0.7933 (16)	0.4516 (5)	0.145 (10)
H387	0.283977	0.788031	0.452709	0.174*
C386	0.2606 (3)	0.7439 (17)	0.4282 (6)	0.155 (11)
H386	0.264922	0.711945	0.411607	0.186*
I303	0.59946 (16)	−0.4763 (5)	0.76500 (15)	0.1255 (19)	0.68 (3)
Zn32	0.57752 (7)	−0.3548 (2)	0.74542 (10)	0.073 (2)	0.68 (3)
I304	0.54804 (6)	−0.3859 (5)	0.71266 (13)	0.0813 (12)	0.68 (3)
I411	0.40987 (9)	0.0047 (3)	0.73524 (14)	0.118 (3)	0.4438
Zn46	0.39467 (13)	0.1541 (6)	0.7370 (2)	0.106 (4)	0.4438
I412	0.36292 (10)	0.1694 (7)	0.73960 (19)	0.139 (3)	0.4438
I305	0.58136 (7)	−0.4892 (2)	1.05406 (6)	0.1215 (18)	0.6584
Zn33	0.56469 (13)	−0.3458 (7)	1.0564 (3)	0.0661 (12)	0.6584
I306	0.53350 (7)	−0.3402 (5)	1.06541 (13)	0.1192 (19)	0.6584
I401	0.7291 (2)	0.0172 (10)	0.7593 (3)	0.104 (6)	0.2603
Zn41	0.7184 (2)	0.1093 (17)	0.7088 (6)	0.085 (13)	0.2603
I402	0.7299 (2)	0.0828 (11)	0.6552 (3)	0.084 (4)	0.2603
I413	0.39798 (13)	0.9779 (5)	0.59026 (15)	0.0550 (9)	0.4828
Zn47	0.38467 (11)	0.8766 (6)	0.5428 (2)	0.054 (3)	0.4828
I414	0.39464 (7)	0.8886 (3)	0.48770 (9)	0.0626 (8)	0.4828
Zn48	0.2525 (2)	1.3663 (7)	0.5914 (3)	0.205 (13)	0.312 (3)
I415	0.2774 (2)	1.4663 (7)	0.6117 (4)	0.305 (11)	0.312 (3)
I416	0.2228 (2)	1.4167 (6)	0.56220 (16)	0.357 (12)	0.312 (3)
I409	0.43679 (14)	0.9905 (5)	0.9380 (2)	0.158 (4)	0.422 (3)
Zn45	0.41259 (15)	0.8784 (8)	0.9268 (4)	0.075 (4)	0.422 (3)
I410	0.38182 (12)	0.9068 (7)	0.8994 (2)	0.108 (3)	0.422 (3)
I407	0.56091 (12)	0.4577 (5)	0.8441 (2)	0.122 (3)	0.4099
Zn44	0.54763 (10)	0.4062 (6)	0.8919 (2)	0.063 (5)	0.4099
I408	0.55866 (14)	0.4608 (6)	0.9493 (2)	0.110 (4)	0.4099
I417	0.2433 (2)	0.5147 (4)	0.3923 (3)	0.141 (4)	0.49 (4)
Zn49	0.22820 (13)	0.6633 (6)	0.39560 (19)	0.098 (5)	0.49 (4)
I418	0.19736 (12)	0.6827 (14)	0.4041 (3)	0.136 (4)	0.49 (4)
I505	0.5963 (3)	−0.4747 (17)	1.0547 (6)	0.080*	0.0461
I506	0.5417 (3)	−0.3967 (16)	1.0605 (6)	0.080*	0.0461
Zn53	0.5751 (6)	−0.358 (3)	1.0559 (12)	0.080*	0.0461
I501	0.72743 (16)	0.0324 (7)	0.7777 (3)	0.195 (7)	0.3431
I502	0.72809 (9)	0.0495 (4)	0.6720 (2)	0.173 (4)	0.3431
Zn51	0.7162 (3)	0.0959 (13)	0.7206 (9)	0.136 (10)	0.3431
I514	0.39362 (13)	0.9493 (7)	0.5115 (4)	0.177 (5)	0.1908
I513	0.39320 (19)	0.9580 (8)	0.6160 (4)	0.169 (7)	0.1908
Zn57	0.3824 (4)	0.8940 (16)	0.5602 (9)	0.135 (13)	0.1908
I515	0.2914 (2)	1.4336 (12)	0.6411 (4)	0.080*	0.0637 (18)
I516	0.2426 (2)	1.4689 (12)	0.5720 (4)	0.080*	0.0637 (18)
Zn58	0.2645 (5)	1.369 (4)	0.6061 (11)	0.080*	0.0637 (18)
I508	0.5621 (3)	0.4045 (15)	0.8212 (5)	0.080*	0.051
I507	0.5651 (3)	0.4789 (14)	0.9243 (6)	0.080*	0.051
Zn54	0.5520 (5)	0.385 (3)	0.8716 (11)	0.080*	0.051
I510	0.37961 (19)	0.8881 (9)	0.8803 (4)	0.080*	0.082 (2)
I509	0.4342 (3)	0.9762 (15)	0.9319 (6)	0.080*	0.082 (2)
Zn55	0.4081 (2)	0.8776 (18)	0.9182 (8)	0.080*	0.082 (2)
C15A	0.4536 (3)	0.0376 (16)	0.8368 (6)	0.113 (9)	0.7253
H15A	0.442565	0.005932	0.830997	0.170*	0.7253
H15B	0.452253	0.087202	0.851498	0.170*	0.7253
H15C	0.462439	−0.003724	0.847700	0.170*	0.7253
C3B	0.3129 (4)	0.840 (2)	0.4089 (9)	0.077 (9)	0.2383
H3B	0.300808	0.831780	0.402012	0.092*	0.2383
C4B	0.3239 (4)	0.7673 (19)	0.4124 (7)	0.069 (7)	0.2383
C5B	0.3416 (3)	0.777 (2)	0.4225 (9)	0.081 (8)	0.2383
C6B	0.3482 (4)	0.863 (3)	0.4275 (9)	0.086 (9)	0.2383
H6B	0.360375	0.871548	0.432405	0.103*	0.2383
C9B	0.3012 (5)	0.550 (2)	0.4221 (11)	0.112 (12)	0.2383
H9B	0.295584	0.522386	0.437930	0.135*	0.2383
C10B	0.3031 (6)	0.506 (3)	0.3936 (12)	0.111 (13)	0.2383
H10B	0.298567	0.447721	0.389804	0.133*	0.2383
C1B	0.3374 (5)	0.936 (2)	0.4254 (10)	0.094 (11)	0.2383
H1B	0.341976	0.994135	0.430656	0.113*	0.2383
C2B	0.3196 (5)	0.925 (2)	0.4155 (9)	0.085 (10)	0.2383
H2B	0.312129	0.975250	0.413239	0.103*	0.2383
C7B	0.3163 (4)	0.677 (2)	0.4047 (8)	0.100 (9)	0.2383
O2B	0.3075 (7)	0.688 (3)	0.4541 (11)	0.139 (14)	0.2383
C8B	0.3077 (5)	0.636 (2)	0.4269 (9)	0.118 (11)	0.2383
C810	0.5022 (3)	0.740 (3)	0.6021 (7)	0.080*	0.3368
H81A	0.507278	0.679883	0.605140	0.096*	0.3368
H81B	0.507179	0.770736	0.584754	0.096*	0.3368
C811	0.4824 (3)	0.733 (3)	0.5915 (6)	0.080*	0.3368
H81C	0.477467	0.793076	0.586928	0.096*	0.3368
H81D	0.479876	0.697378	0.571120	0.096*	0.3368
C812	0.4739 (4)	0.688 (2)	0.6179 (7)	0.080*	0.3368
H81E	0.461228	0.686839	0.610817	0.096*	0.3368
H81F	0.478043	0.625481	0.621056	0.096*	0.3368
C807	0.4785 (3)	0.740 (3)	0.6500 (6)	0.080*	0.3368
H80A	0.473784	0.707378	0.667302	0.096*	0.3368
H80B	0.473044	0.799290	0.647426	0.096*	0.3368
C808	0.4982 (3)	0.750 (3)	0.6604 (6)	0.080*	0.3368
H80C	0.500503	0.787419	0.680323	0.096*	0.3368
H80D	0.503383	0.690737	0.665780	0.096*	0.3368
C809	0.5067 (4)	0.793 (2)	0.6340 (7)	0.080*	0.3368
H80E	0.519384	0.794192	0.641074	0.096*	0.3368
H80F	0.502618	0.855577	0.630375	0.096*	0.3368
C1	0.3531 (7)	0.288 (4)	0.5862 (16)	0.097 (15)	0.177
H1C	0.354415	0.313653	0.564888	0.117*	0.177
H1D	0.359698	0.325707	0.603634	0.117*	0.177
C8	0.3602 (7)	0.192 (4)	0.5891 (14)	0.092 (15)	0.177
H8A	0.354031	0.155803	0.570844	0.110*	0.177
H8B	0.372613	0.192902	0.587544	0.110*	0.177
C9	0.3579 (6)	0.150 (4)	0.6216 (14)	0.092 (15)	0.177
H9C	0.365143	0.181806	0.639787	0.110*	0.177
H9D	0.361818	0.086770	0.622176	0.110*	0.177
C10	0.3389 (7)	0.152 (4)	0.6266 (16)	0.101 (15)	0.177
H10C	0.338221	0.130589	0.648819	0.121*	0.177
H10D	0.331953	0.111637	0.610739	0.121*	0.177
C11	0.3314 (7)	0.247 (4)	0.6222 (15)	0.103 (16)	0.177
H11C	0.337092	0.285421	0.640252	0.123*	0.177
H11D	0.318856	0.244815	0.623298	0.123*	0.177
C12	0.3338 (6)	0.288 (4)	0.5894 (15)	0.102 (16)	0.177
H12A	0.329315	0.349406	0.587773	0.123*	0.177
H12B	0.327173	0.252316	0.571358	0.123*	0.177
C813	0.3066 (5)	0.222 (2)	0.6957 (10)	0.104 (12)	0.2752
H81G	0.303149	0.274060	0.707569	0.125*	0.2752
H81H	0.315912	0.240093	0.683893	0.125*	0.2752
C818	0.2910 (5)	0.187 (3)	0.6713 (10)	0.110 (12)	0.2752
H81I	0.281465	0.171949	0.683118	0.132*	0.2752
H81J	0.286777	0.235386	0.655475	0.132*	0.2752
C817	0.2958 (5)	0.105 (3)	0.6528 (7)	0.106 (12)	0.2752
H81K	0.304639	0.121672	0.639675	0.127*	0.2752
H81L	0.285416	0.083562	0.637760	0.127*	0.2752
C816	0.3028 (5)	0.030 (2)	0.6766 (9)	0.101 (12)	0.2752
H81M	0.293460	0.008458	0.687950	0.121*	0.2752
H81N	0.306562	−0.020727	0.664306	0.121*	0.2752
C815	0.3180 (4)	0.063 (3)	0.7018 (8)	0.090 (11)	0.2752
H81O	0.327838	0.078425	0.690672	0.108*	0.2752
H81P	0.321872	0.015433	0.717794	0.108*	0.2752
C814	0.3130 (4)	0.146 (3)	0.7198 (7)	0.092 (11)	0.2752
H81Q	0.303760	0.130260	0.732221	0.110*	0.2752
H81R	0.323129	0.167402	0.735501	0.110*	0.2752
C823	0.3714 (8)	0.586 (3)	0.8732 (9)	0.115 (15)	0.2432
H82A	0.383454	0.596169	0.884426	0.138*	0.2432
H82B	0.363786	0.621747	0.884970	0.138*	0.2432
C822	0.3697 (8)	0.623 (3)	0.8386 (10)	0.115 (15)	0.2432
H82C	0.376033	0.680824	0.839408	0.138*	0.2432
H82D	0.357354	0.635831	0.830168	0.138*	0.2432
C821	0.3767 (8)	0.560 (3)	0.8148 (10)	0.120 (15)	0.2432
H82E	0.373138	0.583399	0.792321	0.144*	0.2432
H82F	0.389461	0.560572	0.819805	0.144*	0.2432
C820	0.3702 (8)	0.464 (3)	0.8163 (9)	0.122 (15)	0.2432
H82G	0.376425	0.425892	0.802766	0.146*	0.2432
H82H	0.357748	0.462239	0.806742	0.146*	0.2432
C819	0.3727 (8)	0.426 (3)	0.8510 (12)	0.122 (15)	0.2432
H81S	0.366211	0.369737	0.850488	0.146*	0.2432
H81T	0.385154	0.412112	0.857927	0.146*	0.2432
C824	0.3671 (8)	0.488 (3)	0.8765 (10)	0.116 (15)	0.2432
H82I	0.354414	0.481956	0.875073	0.140*	0.2432
H82J	0.372612	0.467003	0.898376	0.140*	0.2432
C11B	0.3114 (6)	0.547 (3)	0.3707 (11)	0.108 (12)	0.2383
H11B	0.312619	0.515865	0.351289	0.129*	0.2383
O3B	0.3269 (6)	0.684 (3)	0.3573 (10)	0.112 (11)	0.2383
C12B	0.3178 (5)	0.633 (2)	0.3762 (8)	0.102 (10)	0.2383
C13B	0.3534 (8)	0.697 (4)	0.4252 (14)	0.113 (14)	0.2383
H13C	0.350351	0.659597	0.405447	0.136*	0.2383
H13D	0.365503	0.717675	0.426286	0.136*	0.2383
O1B	0.3523 (9)	0.645 (4)	0.4533 (16)	0.18 (2)	0.2383
H1BA	0.361559	0.616900	0.459136	0.276*	0.2383
C830	0.3558 (4)	0.830 (2)	0.6225 (6)	0.069 (8)	0.2888
H83A	0.364837	0.848080	0.610036	0.083*	0.2888
H83B	0.345629	0.808800	0.606702	0.083*	0.2888
C829	0.3626 (5)	0.7527 (19)	0.6455 (8)	0.083 (9)	0.2888
H82K	0.366187	0.702250	0.632848	0.099*	0.2888
H82L	0.353356	0.731347	0.657084	0.099*	0.2888
C828	0.3782 (4)	0.786 (3)	0.6705 (9)	0.097 (11)	0.2888
H82M	0.382802	0.736440	0.685205	0.116*	0.2888
H82N	0.387446	0.806646	0.658913	0.116*	0.2888
C827	0.3724 (6)	0.863 (3)	0.6905 (7)	0.105 (12)	0.2888
H82O	0.363186	0.842196	0.702190	0.126*	0.2888
H82P	0.382284	0.883775	0.706864	0.126*	0.2888
C826	0.3655 (5)	0.941 (2)	0.6678 (9)	0.093 (11)	0.2888
H82Q	0.361517	0.989731	0.680747	0.111*	0.2888
H82R	0.374988	0.964789	0.657304	0.111*	0.2888
C825	0.3505 (4)	0.910 (2)	0.6414 (8)	0.075 (9)	0.2888
H82S	0.340518	0.893624	0.651762	0.090*	0.2888
H82T	0.346912	0.959867	0.626064	0.090*	0.2888
C14B	0.2971 (15)	0.654 (7)	0.4769 (19)	0.20 (3)	0.2383
H14D	0.297162	0.588604	0.476561	0.293*	0.2383
H14E	0.285245	0.675874	0.470858	0.293*	0.2383
H14F	0.301994	0.674985	0.498942	0.293*	0.2383
C15B	0.3291 (12)	0.644 (6)	0.3266 (13)	0.14 (2)	0.2383
H15D	0.327700	0.690729	0.309758	0.205*	0.2383
H15E	0.320287	0.597966	0.320580	0.205*	0.2383
H15F	0.340609	0.617908	0.328736	0.205*	0.2383
C804	0.4961 (5)	0.263 (3)	0.4877 (10)	0.130 (13)	0.3529
H80G	0.498599	0.257141	0.511735	0.155*	0.3529
H80H	0.504071	0.222945	0.478479	0.155*	0.3529
C803	0.4773 (5)	0.235 (2)	0.4750 (10)	0.135 (13)	0.3529
H80I	0.475568	0.171913	0.481222	0.162*	0.3529
H80J	0.474863	0.238535	0.450850	0.162*	0.3529
C802	0.4647 (5)	0.296 (3)	0.4894 (10)	0.147 (14)	0.3529
H80K	0.452667	0.278032	0.480910	0.177*	0.3529
H80L	0.466785	0.289739	0.513441	0.177*	0.3529
C801	0.4675 (5)	0.394 (3)	0.4802 (12)	0.164 (15)	0.3529
H80M	0.463867	0.400967	0.456390	0.196*	0.3529
H80N	0.460020	0.432501	0.491162	0.196*	0.3529
C806	0.4863 (6)	0.424 (2)	0.4899 (11)	0.151 (14)	0.3529
H80O	0.489108	0.428014	0.513995	0.181*	0.3529
H80P	0.487563	0.483723	0.480821	0.181*	0.3529
C805	0.4991 (5)	0.360 (3)	0.4780 (11)	0.144 (14)	0.3529
H80Q	0.511006	0.378020	0.487467	0.173*	0.3529
H80R	0.497761	0.364080	0.453965	0.173*	0.3529
C831	0.3310 (6)	0.828 (3)	0.7183 (13)	0.080*	0.2157
H83C	0.338236	0.869710	0.733374	0.096*	0.2157
H83D	0.330632	0.850562	0.695802	0.096*	0.2157
C836	0.3394 (6)	0.735 (3)	0.7213 (11)	0.080*	0.2157
H83E	0.351739	0.740760	0.719627	0.096*	0.2157
H83F	0.333720	0.697230	0.703062	0.096*	0.2157
C835	0.3378 (5)	0.689 (3)	0.7538 (11)	0.080*	0.2157
H83G	0.344931	0.722498	0.771999	0.096*	0.2157
H83H	0.342452	0.627881	0.753838	0.096*	0.2157
C834	0.3189 (6)	0.686 (3)	0.7593 (12)	0.080*	0.2157
H83I	0.311991	0.648705	0.742240	0.096*	0.2157
H83J	0.318455	0.658538	0.780779	0.096*	0.2157
C833	0.3112 (6)	0.781 (3)	0.7582 (11)	0.080*	0.2157
H83K	0.298874	0.777369	0.760606	0.096*	0.2157
H83L	0.317397	0.816456	0.776683	0.096*	0.2157
C832	0.3126 (5)	0.828 (3)	0.7260 (12)	0.080*	0.2157
H83M	0.308600	0.890636	0.727116	0.096*	0.2157
H83N	0.304749	0.798125	0.708023	0.096*	0.2157

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I311	0.1050 (13)	0.0359 (10)	0.0353 (9)	−0.0052 (8)	0.0227 (11)	0.0068 (7)
I404	0.162 (7)	0.079 (4)	0.111 (7)	−0.039 (4)	0.051 (5)	−0.044 (5)
I307	0.0967 (18)	0.0252 (11)	0.0780 (12)	−0.0063 (10)	0.0369 (11)	−0.0052 (9)
I308	0.090 (2)	0.0414 (16)	0.086 (2)	0.0078 (14)	−0.0111 (17)	−0.0207 (13)
I403	0.107 (7)	0.025 (2)	0.085 (3)	0.014 (2)	0.051 (2)	0.0108 (16)
I313	0.069 (4)	0.035 (3)	0.117 (9)	−0.001 (2)	0.004 (6)	−0.009 (5)
I310	0.1013 (18)	0.068 (3)	0.074 (3)	0.0246 (15)	0.0489 (17)	0.0293 (19)
I405	0.134 (5)	0.043 (3)	0.108 (6)	−0.010 (3)	0.011 (4)	0.012 (3)
I309	0.140 (3)	0.0276 (11)	0.0844 (16)	0.0055 (13)	0.0484 (16)	0.0039 (13)
I312	0.0827 (17)	0.0917 (17)	0.0588 (10)	−0.0103 (13)	0.0157 (11)	0.0158 (11)
I314	0.130 (3)	0.013 (2)	0.127 (4)	0.0212 (19)	0.077 (3)	0.0065 (19)
I406	0.068 (4)	0.127 (6)	0.095 (7)	0.000 (4)	0.013 (4)	0.046 (5)
I318	0.078 (3)	0.117 (3)	0.078 (3)	−0.024 (2)	0.0115 (19)	0.024 (2)
I317	0.125 (5)	0.068 (2)	0.081 (3)	0.0077 (15)	0.021 (2)	0.0056 (16)
I301	0.059 (2)	0.0440 (19)	0.090 (2)	0.0038 (15)	0.0184 (18)	0.0131 (15)
I316	0.1323 (17)	0.0791 (14)	0.0959 (16)	0.0353 (11)	0.0457 (11)	0.0222 (11)
I302	0.107 (5)	0.069 (3)	0.076 (3)	−0.012 (3)	0.039 (4)	−0.009 (2)
I315	0.216 (3)	0.0675 (15)	0.1014 (14)	−0.0402 (15)	0.0732 (18)	−0.0227 (11)
Zn42	0.063 (6)	0.059 (8)	0.093 (9)	−0.013 (4)	0.039 (5)	−0.020 (6)
Zn36	0.083 (3)	0.037 (2)	0.0225 (15)	−0.0076 (19)	0.0172 (15)	−0.0004 (14)
Zn43	0.125 (3)	0.0368 (13)	0.0342 (12)	−0.0214 (17)	0.0078 (17)	0.0030 (11)
Zn34	0.122 (8)	0.014 (4)	0.064 (5)	−0.006 (3)	0.005 (4)	−0.006 (3)
Zn35	0.117 (4)	0.036 (4)	0.050 (5)	0.017 (3)	0.045 (3)	0.018 (3)
Zn39	0.068 (5)	0.061 (6)	0.074 (7)	−0.009 (4)	0.021 (4)	−0.001 (5)
Zn37	0.100 (14)	0.019 (6)	0.096 (14)	0.000 (6)	0.008 (9)	−0.006 (7)
Zn31	0.062 (5)	0.041 (6)	0.067 (3)	−0.003 (3)	0.023 (3)	0.004 (3)
Zn38	0.132 (3)	0.055 (3)	0.072 (3)	0.001 (2)	0.034 (2)	0.012 (2)
N310	0.096 (7)	0.023 (4)	0.040 (4)	−0.002 (4)	0.032 (4)	−0.007 (3)
N309	0.097 (7)	0.022 (4)	0.036 (4)	0.000 (4)	0.023 (4)	0.000 (3)
N308	0.088 (6)	0.024 (4)	0.040 (4)	−0.005 (4)	0.022 (4)	−0.007 (3)
N316	0.097 (7)	0.033 (4)	0.040 (4)	−0.001 (4)	0.025 (4)	0.002 (3)
N312	0.103 (8)	0.034 (4)	0.056 (5)	0.000 (5)	0.019 (5)	0.000 (4)
N332	0.081 (7)	0.041 (5)	0.058 (5)	−0.008 (4)	0.026 (5)	−0.007 (4)
N306	0.107 (8)	0.035 (4)	0.039 (4)	0.009 (5)	0.033 (5)	0.007 (3)
N320	0.104 (7)	0.037 (4)	0.036 (4)	−0.009 (4)	0.025 (4)	−0.005 (3)
N315	0.097 (8)	0.038 (4)	0.044 (5)	0.006 (5)	0.026 (5)	0.002 (4)
N304	0.084 (6)	0.041 (4)	0.042 (4)	0.006 (4)	0.022 (4)	0.011 (4)
N307	0.118 (8)	0.030 (4)	0.039 (4)	0.001 (4)	0.040 (5)	−0.001 (3)
N318	0.090 (7)	0.044 (5)	0.041 (4)	0.001 (5)	0.022 (5)	−0.004 (4)
N321	0.133 (9)	0.032 (4)	0.042 (5)	−0.017 (5)	0.036 (5)	−0.010 (4)
N313	0.109 (8)	0.033 (4)	0.054 (5)	−0.004 (5)	0.013 (5)	0.000 (4)
N333	0.083 (7)	0.037 (5)	0.072 (6)	−0.003 (4)	0.027 (5)	−0.013 (4)
N314	0.104 (8)	0.037 (4)	0.029 (4)	0.002 (5)	0.015 (4)	0.000 (3)
N305	0.108 (9)	0.044 (5)	0.040 (5)	−0.003 (5)	0.013 (5)	0.007 (4)
N323	0.130 (9)	0.028 (4)	0.053 (5)	−0.016 (5)	0.035 (5)	−0.010 (4)
N334	0.085 (7)	0.039 (5)	0.052 (5)	−0.002 (4)	0.022 (5)	−0.004 (4)
N317	0.112 (9)	0.043 (5)	0.058 (6)	0.000 (6)	0.034 (6)	0.000 (4)
C321	0.074 (7)	0.031 (4)	0.039 (5)	−0.003 (4)	0.022 (5)	−0.009 (4)
O2A	0.102 (9)	0.049 (6)	0.062 (6)	0.017 (6)	0.009 (6)	−0.022 (5)
N311	0.131 (9)	0.031 (4)	0.037 (4)	−0.013 (5)	0.017 (5)	0.003 (3)
N324	0.098 (8)	0.050 (6)	0.070 (6)	−0.006 (5)	0.026 (6)	0.007 (5)
N302	0.089 (8)	0.047 (5)	0.049 (5)	0.000 (5)	0.014 (5)	0.003 (4)
N322	0.108 (8)	0.039 (5)	0.053 (5)	−0.009 (5)	0.028 (5)	−0.006 (4)
C345	0.101 (9)	0.034 (5)	0.033 (5)	0.006 (5)	0.020 (5)	0.003 (4)
O3A	0.084 (8)	0.046 (6)	0.076 (7)	−0.006 (5)	0.029 (6)	0.023 (5)
C344	0.096 (9)	0.034 (5)	0.034 (5)	−0.001 (5)	0.019 (5)	0.000 (4)
C327	0.093 (8)	0.024 (4)	0.039 (5)	−0.004 (5)	0.026 (5)	−0.001 (4)
N319	0.115 (8)	0.039 (5)	0.047 (5)	−0.016 (5)	0.025 (5)	−0.014 (4)
C324	0.079 (7)	0.030 (4)	0.036 (5)	−0.008 (4)	0.023 (5)	−0.003 (4)
N328	0.100 (8)	0.055 (6)	0.060 (6)	−0.004 (5)	0.016 (5)	−0.011 (5)
C317	0.086 (8)	0.045 (6)	0.039 (5)	0.004 (5)	0.019 (5)	0.002 (4)
C334	0.075 (7)	0.031 (5)	0.039 (5)	−0.002 (4)	0.021 (5)	−0.007 (4)
N327	0.096 (9)	0.054 (6)	0.077 (7)	−0.001 (6)	0.017 (6)	0.001 (5)
C346	0.093 (9)	0.043 (6)	0.053 (6)	−0.003 (5)	0.035 (6)	−0.012 (5)
C326	0.085 (8)	0.035 (5)	0.032 (4)	−0.003 (5)	0.014 (5)	−0.004 (4)
C339	0.094 (9)	0.040 (5)	0.048 (6)	−0.002 (5)	0.024 (6)	−0.003 (4)
C325	0.099 (8)	0.026 (4)	0.035 (5)	−0.005 (5)	0.030 (5)	0.005 (4)
N325	0.094 (8)	0.059 (6)	0.084 (8)	−0.009 (6)	0.014 (6)	−0.013 (6)
C316	0.086 (8)	0.039 (5)	0.033 (5)	0.005 (5)	0.020 (5)	0.006 (4)
N331	0.105 (8)	0.047 (5)	0.068 (6)	−0.015 (5)	0.025 (6)	−0.010 (5)
C308	0.076 (8)	0.036 (5)	0.043 (5)	0.004 (5)	0.020 (5)	0.001 (4)
C343	0.083 (8)	0.037 (5)	0.034 (5)	0.007 (5)	0.017 (5)	0.000 (4)
N330	0.085 (8)	0.072 (7)	0.076 (7)	−0.008 (6)	0.020 (6)	−0.011 (6)
N303	0.090 (8)	0.050 (6)	0.076 (7)	0.001 (5)	0.006 (6)	0.017 (5)
C320	0.127 (11)	0.033 (5)	0.042 (5)	0.006 (6)	0.042 (6)	0.009 (4)
C370	0.094 (9)	0.033 (5)	0.051 (6)	−0.010 (5)	0.026 (6)	−0.006 (4)
O1A	0.098 (9)	0.059 (7)	0.074 (7)	−0.025 (6)	0.043 (6)	−0.035 (6)
C361	0.098 (9)	0.037 (5)	0.044 (5)	−0.016 (5)	0.021 (5)	−0.010 (4)
C332	0.099 (9)	0.031 (5)	0.047 (6)	0.001 (5)	0.011 (6)	0.000 (4)
C333	0.082 (8)	0.031 (5)	0.046 (5)	−0.003 (5)	0.020 (5)	−0.002 (4)
C396	0.078 (8)	0.047 (6)	0.052 (6)	−0.008 (5)	0.023 (5)	−0.003 (5)
C336	0.121 (11)	0.033 (5)	0.050 (6)	0.002 (6)	0.006 (6)	−0.013 (5)
C397	0.088 (8)	0.036 (5)	0.060 (6)	−0.014 (5)	0.028 (6)	−0.012 (5)
C347	0.106 (10)	0.048 (6)	0.043 (5)	−0.006 (6)	0.036 (6)	−0.011 (5)
C342	0.090 (8)	0.044 (6)	0.040 (5)	0.002 (5)	0.027 (5)	0.006 (4)
N335	0.100 (9)	0.055 (7)	0.111 (10)	0.003 (6)	0.016 (8)	0.009 (7)
C362	0.102 (9)	0.036 (5)	0.048 (6)	−0.013 (5)	0.022 (6)	−0.011 (4)
C352	0.119 (11)	0.030 (5)	0.042 (5)	−0.001 (6)	0.033 (6)	−0.002 (4)
C309	0.089 (9)	0.044 (6)	0.055 (6)	−0.002 (6)	0.020 (6)	0.014 (5)
N326	0.079 (8)	0.064 (6)	0.072 (7)	0.000 (5)	0.010 (5)	−0.011 (5)
C318	0.097 (9)	0.034 (5)	0.045 (5)	0.005 (5)	0.022 (5)	−0.004 (4)
C357	0.114 (10)	0.034 (5)	0.042 (5)	−0.010 (6)	0.024 (6)	−0.006 (4)
C360	0.118 (10)	0.035 (5)	0.050 (6)	−0.011 (6)	0.032 (6)	−0.012 (4)
C319	0.136 (12)	0.035 (5)	0.055 (6)	0.010 (6)	0.042 (7)	−0.001 (5)
C329	0.101 (9)	0.042 (5)	0.037 (5)	−0.001 (6)	0.016 (5)	−0.001 (4)
C399	0.101 (10)	0.041 (6)	0.064 (7)	−0.009 (6)	0.027 (7)	−0.009 (5)
C379	0.103 (11)	0.046 (6)	0.068 (8)	−0.003 (7)	0.023 (7)	0.004 (6)
C312	0.094 (10)	0.070 (8)	0.060 (7)	0.017 (7)	0.032 (7)	0.010 (6)
C363	0.121 (11)	0.039 (6)	0.047 (6)	−0.024 (6)	0.038 (6)	−0.013 (5)
C354	0.110 (10)	0.054 (7)	0.048 (6)	0.013 (7)	0.029 (6)	0.001 (5)
C322	0.118 (10)	0.023 (4)	0.047 (6)	0.004 (5)	0.026 (6)	0.000 (4)
C328	0.102 (9)	0.032 (5)	0.037 (5)	0.001 (5)	0.020 (5)	0.002 (4)
C307	0.082 (9)	0.041 (6)	0.063 (7)	−0.008 (5)	0.022 (6)	0.008 (5)
C406	0.073 (8)	0.038 (6)	0.081 (8)	−0.005 (5)	0.018 (6)	−0.018 (5)
C313	0.110 (11)	0.052 (7)	0.064 (7)	0.017 (7)	0.046 (7)	0.029 (6)
C364	0.121 (11)	0.044 (6)	0.049 (6)	−0.007 (6)	0.038 (6)	−0.003 (5)
N336	0.178 (13)	0.036 (5)	0.077 (7)	−0.004 (6)	0.063 (8)	−0.005 (5)
C335	0.122 (11)	0.034 (5)	0.044 (6)	0.002 (6)	0.017 (6)	0.001 (4)
C400	0.099 (10)	0.047 (6)	0.068 (7)	−0.001 (6)	0.033 (7)	−0.008 (5)
C393	0.087 (9)	0.042 (6)	0.079 (8)	−0.016 (6)	0.035 (7)	−0.020 (6)
C349	0.097 (10)	0.047 (6)	0.056 (6)	0.007 (6)	0.002 (6)	−0.015 (5)
C353	0.100 (10)	0.054 (7)	0.048 (6)	0.013 (7)	0.013 (6)	−0.005 (5)
C398	0.081 (8)	0.036 (5)	0.064 (7)	−0.007 (5)	0.005 (6)	−0.003 (5)
C371	0.114 (11)	0.045 (6)	0.061 (7)	−0.011 (7)	0.015 (7)	−0.001 (5)
C7A	0.071 (9)	0.023 (6)	0.067 (8)	0.005 (6)	0.013 (7)	0.001 (6)
C356	0.118 (11)	0.046 (6)	0.046 (6)	−0.001 (6)	0.022 (6)	−0.010 (5)
N329	0.168 (15)	0.068 (8)	0.071 (8)	−0.021 (9)	0.052 (9)	0.000 (6)
C4A	0.080 (9)	0.022 (6)	0.057 (8)	−0.003 (6)	0.028 (7)	0.004 (5)
C5A	0.092 (11)	0.021 (6)	0.080 (10)	−0.005 (6)	0.038 (8)	−0.004 (6)
C6A	0.130 (14)	0.025 (6)	0.069 (9)	−0.015 (8)	0.057 (10)	−0.008 (6)
C1A	0.134 (14)	0.034 (7)	0.060 (9)	0.018 (8)	0.062 (9)	0.018 (7)
C2A	0.105 (12)	0.045 (8)	0.053 (8)	0.021 (8)	0.047 (8)	0.016 (6)
C3A	0.078 (10)	0.045 (7)	0.053 (8)	0.004 (7)	0.040 (7)	0.006 (6)
C306	0.104 (10)	0.043 (6)	0.054 (6)	−0.008 (6)	0.015 (6)	0.005 (5)
C348	0.103 (10)	0.052 (7)	0.062 (7)	0.012 (7)	0.014 (7)	−0.006 (6)
C355	0.135 (12)	0.043 (6)	0.045 (6)	0.006 (7)	0.024 (7)	−0.006 (5)
C375	0.098 (11)	0.070 (8)	0.074 (8)	−0.013 (8)	0.016 (8)	−0.004 (7)
C378	0.116 (12)	0.052 (7)	0.065 (8)	−0.008 (7)	0.016 (8)	−0.007 (6)
C372	0.142 (14)	0.051 (7)	0.057 (7)	−0.003 (8)	0.016 (8)	0.004 (6)
C368	0.100 (10)	0.043 (6)	0.079 (8)	−0.005 (6)	0.029 (7)	−0.011 (6)
C388	0.091 (10)	0.072 (8)	0.061 (7)	−0.003 (7)	0.019 (7)	−0.018 (6)
C303	0.077 (9)	0.053 (7)	0.090 (9)	−0.002 (6)	−0.001 (7)	0.013 (7)
C359	0.190 (16)	0.038 (6)	0.041 (6)	−0.016 (8)	0.044 (8)	−0.014 (5)
N301	0.077 (8)	0.041 (6)	0.189 (15)	−0.008 (6)	0.005 (9)	0.007 (8)
C315	0.079 (8)	0.055 (7)	0.073 (8)	0.008 (6)	0.019 (6)	0.020 (6)
C338	0.095 (10)	0.068 (8)	0.068 (8)	0.003 (7)	0.014 (7)	−0.032 (7)
C391	0.117 (11)	0.046 (6)	0.069 (8)	−0.002 (7)	0.022 (8)	−0.007 (6)
C341	0.107 (12)	0.084 (10)	0.056 (7)	−0.007 (8)	0.026 (7)	−0.018 (7)
C351	0.091 (10)	0.055 (7)	0.101 (10)	−0.007 (7)	0.014 (8)	−0.028 (7)
C331	0.169 (14)	0.028 (5)	0.048 (6)	0.006 (7)	0.048 (7)	0.001 (4)
C323	0.114 (10)	0.044 (6)	0.045 (6)	0.003 (6)	0.022 (6)	−0.001 (5)
C358	0.158 (14)	0.033 (5)	0.048 (6)	−0.009 (7)	0.042 (7)	0.001 (5)
C380	0.087 (10)	0.065 (8)	0.066 (7)	0.006 (7)	0.021 (7)	−0.013 (6)
C314	0.097 (11)	0.059 (7)	0.067 (8)	0.012 (7)	0.025 (7)	0.023 (6)
C381	0.129 (14)	0.066 (9)	0.074 (9)	−0.014 (9)	0.045 (9)	−0.009 (7)
C369	0.133 (12)	0.037 (6)	0.064 (7)	−0.001 (7)	0.032 (8)	0.000 (5)
C340	0.097 (11)	0.083 (10)	0.072 (9)	0.005 (8)	0.013 (8)	−0.030 (7)
C392	0.126 (12)	0.046 (6)	0.070 (8)	−0.007 (7)	0.024 (8)	0.000 (6)
C390	0.089 (10)	0.083 (10)	0.086 (9)	−0.007 (8)	0.024 (8)	−0.022 (8)
C365	0.130 (11)	0.043 (6)	0.048 (6)	−0.008 (6)	0.042 (7)	−0.005 (5)
C394	0.142 (14)	0.051 (7)	0.075 (8)	0.001 (8)	0.047 (9)	−0.001 (6)
C404	0.088 (10)	0.055 (8)	0.128 (14)	−0.010 (7)	0.027 (9)	−0.050 (9)
C8A	0.077 (10)	0.028 (7)	0.091 (11)	0.002 (7)	−0.006 (9)	−0.021 (7)
C385	0.154 (17)	0.065 (9)	0.081 (10)	0.019 (10)	0.045 (10)	−0.001 (7)
C408	0.137 (15)	0.048 (8)	0.114 (13)	0.000 (8)	0.018 (11)	−0.010 (8)
C337	0.115 (12)	0.066 (8)	0.065 (8)	−0.004 (8)	0.025 (8)	−0.034 (7)
C330	0.212 (18)	0.030 (6)	0.053 (7)	−0.005 (8)	0.053 (9)	0.000 (5)
C11A	0.084 (12)	0.043 (9)	0.106 (13)	−0.008 (8)	−0.014 (10)	0.029 (9)
C389	0.103 (12)	0.093 (11)	0.069 (8)	−0.008 (9)	0.027 (8)	−0.023 (8)
C401	0.135 (13)	0.045 (7)	0.092 (10)	−0.001 (7)	0.056 (9)	0.003 (6)
C407	0.142 (14)	0.044 (7)	0.085 (10)	0.000 (8)	0.022 (9)	−0.004 (6)
C12A	0.073 (10)	0.029 (7)	0.091 (11)	−0.012 (7)	0.002 (8)	0.012 (7)
C405	0.126 (13)	0.050 (7)	0.091 (10)	−0.003 (8)	0.014 (9)	−0.007 (7)
C14A	0.089 (13)	0.083 (13)	0.089 (13)	0.012 (10)	0.028 (10)	−0.048 (11)
C395	0.172 (17)	0.043 (7)	0.091 (10)	−0.013 (8)	0.057 (11)	−0.007 (7)
C376	0.107 (14)	0.127 (16)	0.137 (16)	−0.007 (12)	0.005 (12)	−0.083 (14)
C366	0.27 (2)	0.043 (7)	0.051 (7)	−0.022 (10)	0.069 (11)	−0.004 (6)
C305	0.082 (12)	0.135 (18)	0.23 (3)	−0.011 (12)	−0.025 (14)	0.107 (19)
C384	0.176 (19)	0.053 (8)	0.091 (11)	0.017 (10)	0.036 (12)	0.016 (8)
C304	0.091 (12)	0.093 (12)	0.18 (2)	−0.012 (10)	−0.005 (12)	0.074 (13)
C403	0.22 (2)	0.041 (7)	0.075 (9)	0.004 (9)	0.069 (11)	0.000 (6)
C367	0.31 (3)	0.023 (5)	0.057 (7)	−0.004 (9)	0.082 (12)	−0.006 (5)
C373	0.081 (12)	0.137 (17)	0.130 (16)	−0.006 (11)	−0.015 (11)	−0.054 (13)
C377	0.093 (13)	0.100 (13)	0.19 (2)	0.008 (10)	0.003 (13)	−0.062 (14)
C9A	0.096 (13)	0.031 (8)	0.107 (13)	0.010 (8)	−0.024 (11)	−0.022 (8)
C302	0.076 (11)	0.125 (16)	0.17 (2)	−0.029 (10)	−0.012 (11)	0.062 (14)
C10A	0.095 (13)	0.029 (8)	0.128 (16)	−0.005 (8)	−0.026 (12)	0.016 (9)
C13A	0.098 (13)	0.039 (8)	0.089 (12)	−0.018 (8)	0.013 (10)	−0.005 (8)
C350	0.128 (15)	0.062 (9)	0.092 (11)	−0.004 (9)	0.022 (10)	−0.033 (8)
C301	0.080 (12)	0.106 (14)	0.22 (3)	−0.006 (10)	−0.012 (14)	0.072 (16)
C382	0.136 (15)	0.072 (10)	0.150 (17)	−0.019 (10)	0.057 (13)	−0.055 (11)
C374	0.112 (14)	0.095 (12)	0.138 (16)	0.003 (10)	0.009 (12)	−0.058 (12)
C402	0.30 (3)	0.055 (9)	0.091 (12)	0.009 (13)	0.098 (16)	0.005 (8)
C310	0.091 (11)	0.129 (15)	0.131 (15)	0.003 (10)	0.028 (10)	0.084 (13)
C383	0.115 (15)	0.120 (16)	0.120 (15)	−0.029 (13)	0.029 (13)	−0.036 (12)
C311	0.111 (14)	0.120 (14)	0.119 (14)	0.000 (11)	0.028 (11)	0.083 (12)
C387	0.086 (12)	0.18 (2)	0.164 (19)	−0.006 (12)	0.008 (12)	−0.126 (18)
C386	0.090 (13)	0.19 (2)	0.19 (2)	−0.026 (14)	0.038 (14)	−0.13 (2)
I303	0.276 (6)	0.0460 (17)	0.0735 (17)	0.049 (2)	0.084 (3)	0.0218 (13)
Zn32	0.177 (6)	0.021 (2)	0.034 (2)	0.003 (2)	0.056 (2)	0.0001 (15)
I304	0.129 (2)	0.0663 (16)	0.0653 (15)	−0.0365 (13)	0.0632 (12)	−0.0385 (10)
I411	0.243 (7)	0.0333 (14)	0.073 (3)	−0.004 (2)	0.015 (3)	0.0113 (15)
Zn46	0.178 (10)	0.045 (4)	0.089 (6)	−0.024 (5)	0.008 (5)	0.004 (4)
I412	0.118 (4)	0.144 (5)	0.147 (6)	−0.047 (4)	−0.001 (3)	0.023 (4)
I305	0.306 (5)	0.0294 (11)	0.0307 (8)	0.0254 (17)	0.0341 (15)	0.0049 (7)
Zn33	0.125 (3)	0.0368 (13)	0.0342 (12)	−0.0214 (17)	0.0078 (17)	0.0030 (11)
I306	0.140 (4)	0.159 (4)	0.0551 (15)	−0.068 (3)	0.0088 (18)	0.0404 (19)
I401	0.082 (8)	0.052 (5)	0.160 (15)	−0.008 (4)	−0.034 (8)	0.036 (9)
Zn41	0.063 (10)	0.025 (7)	0.17 (4)	−0.010 (6)	0.017 (15)	0.008 (15)
I402	0.083 (4)	0.053 (4)	0.114 (11)	−0.002 (3)	0.012 (6)	−0.020 (6)
I413	0.0785 (17)	0.0307 (16)	0.0587 (12)	−0.0008 (12)	0.0199 (11)	−0.0005 (10)
Zn47	0.073 (5)	0.037 (5)	0.057 (3)	0.004 (3)	0.023 (3)	0.001 (3)
I414	0.106 (2)	0.0242 (18)	0.0651 (12)	0.0164 (13)	0.0367 (12)	0.0058 (11)
Zn48	0.47 (3)	0.039 (5)	0.187 (16)	0.056 (13)	0.274 (19)	0.023 (8)
I415	0.56 (3)	0.085 (6)	0.389 (18)	−0.128 (10)	0.407 (19)	−0.123 (9)
I416	0.89 (3)	0.127 (6)	0.058 (3)	0.254 (12)	0.093 (7)	0.038 (3)
I409	0.277 (10)	0.068 (3)	0.153 (6)	−0.052 (5)	0.105 (6)	−0.067 (4)
Zn45	0.157 (9)	0.035 (4)	0.039 (3)	0.010 (4)	0.033 (5)	−0.001 (3)
I410	0.197 (7)	0.072 (3)	0.057 (3)	0.041 (4)	0.028 (4)	0.0154 (19)
I407	0.126 (5)	0.049 (3)	0.204 (7)	−0.011 (2)	0.063 (4)	0.023 (3)
Zn44	0.061 (6)	0.036 (7)	0.093 (9)	0.000 (4)	0.020 (5)	−0.015 (5)
I408	0.149 (6)	0.058 (4)	0.115 (5)	−0.003 (3)	0.001 (3)	−0.061 (4)
I417	0.283 (10)	0.0522 (19)	0.080 (3)	−0.002 (3)	0.006 (4)	0.0091 (15)
Zn49	0.173 (11)	0.066 (7)	0.050 (6)	−0.040 (6)	0.002 (5)	0.003 (5)
I418	0.130 (5)	0.166 (8)	0.116 (5)	−0.053 (4)	0.032 (4)	0.031 (4)
I501	0.161 (6)	0.084 (6)	0.294 (14)	−0.043 (4)	−0.091 (9)	0.114 (8)
I502	0.146 (4)	0.069 (3)	0.310 (12)	0.023 (3)	0.057 (6)	−0.054 (4)
Zn51	0.088 (9)	0.032 (5)	0.28 (3)	−0.009 (4)	−0.001 (11)	0.041 (9)
I514	0.143 (7)	0.108 (6)	0.304 (15)	−0.042 (6)	0.107 (9)	−0.020 (8)
I513	0.127 (9)	0.069 (6)	0.29 (2)	0.012 (5)	−0.017 (10)	−0.083 (10)
Zn57	0.099 (12)	0.043 (10)	0.26 (4)	−0.004 (8)	0.030 (18)	−0.028 (13)
C15A	0.129 (19)	0.102 (17)	0.132 (19)	0.022 (14)	0.086 (16)	0.055 (15)
C3B	0.071 (18)	0.109 (18)	0.05 (2)	0.017 (14)	0.025 (17)	0.022 (17)
C4B	0.076 (15)	0.111 (16)	0.029 (14)	0.020 (12)	0.037 (13)	0.021 (13)
C5B	0.073 (15)	0.14 (2)	0.043 (17)	0.018 (13)	0.039 (14)	0.011 (17)
C6B	0.081 (19)	0.15 (2)	0.039 (18)	0.006 (14)	0.034 (17)	0.004 (19)
C9B	0.08 (3)	0.10 (2)	0.15 (3)	0.01 (2)	0.01 (2)	0.01 (2)
C10B	0.08 (3)	0.10 (2)	0.15 (3)	0.01 (2)	−0.01 (2)	0.008 (19)
C1B	0.09 (2)	0.13 (2)	0.07 (2)	−0.002 (16)	0.036 (19)	0.00 (2)
C2B	0.090 (19)	0.110 (18)	0.06 (2)	0.011 (17)	0.036 (19)	0.02 (2)
C7B	0.09 (2)	0.110 (17)	0.098 (18)	0.018 (15)	0.018 (16)	0.018 (14)
O2B	0.17 (3)	0.12 (3)	0.15 (2)	−0.02 (3)	0.09 (2)	0.00 (2)
C8B	0.13 (3)	0.10 (2)	0.13 (2)	−0.005 (19)	0.04 (2)	0.012 (17)
C1	0.06 (3)	0.11 (3)	0.11 (3)	0.01 (2)	0.01 (3)	−0.04 (3)
C8	0.05 (3)	0.11 (3)	0.11 (3)	0.00 (2)	0.00 (2)	−0.05 (3)
C9	0.07 (3)	0.10 (3)	0.10 (3)	0.00 (2)	0.01 (2)	−0.06 (3)
C10	0.07 (3)	0.12 (4)	0.11 (3)	0.01 (3)	0.02 (3)	−0.05 (3)
C11	0.08 (3)	0.12 (4)	0.11 (3)	0.01 (3)	0.02 (3)	−0.05 (3)
C12	0.07 (3)	0.13 (4)	0.11 (3)	0.01 (2)	0.01 (3)	−0.04 (3)
C813	0.06 (2)	0.18 (3)	0.08 (2)	0.005 (19)	0.028 (15)	−0.043 (19)
C818	0.06 (2)	0.21 (3)	0.07 (2)	0.01 (2)	0.015 (15)	−0.02 (2)
C817	0.06 (2)	0.20 (3)	0.057 (18)	−0.02 (2)	0.005 (15)	−0.028 (18)
C816	0.07 (2)	0.18 (3)	0.050 (17)	−0.02 (2)	0.006 (15)	−0.043 (18)
C815	0.042 (17)	0.17 (3)	0.053 (17)	−0.006 (18)	0.009 (13)	−0.038 (18)
C814	0.025 (16)	0.17 (3)	0.080 (19)	−0.018 (18)	0.005 (14)	−0.050 (17)
C823	0.09 (3)	0.19 (4)	0.07 (2)	−0.04 (3)	0.03 (2)	−0.04 (3)
C822	0.09 (3)	0.19 (4)	0.06 (2)	−0.03 (3)	0.03 (2)	−0.04 (2)
C821	0.11 (3)	0.19 (4)	0.06 (2)	−0.02 (3)	0.03 (2)	−0.04 (3)
C820	0.10 (3)	0.19 (4)	0.09 (2)	0.00 (3)	0.04 (2)	−0.03 (3)
C819	0.10 (3)	0.18 (4)	0.09 (2)	−0.01 (3)	0.03 (2)	−0.03 (2)
C824	0.09 (3)	0.18 (4)	0.08 (2)	−0.03 (3)	0.03 (2)	−0.04 (2)
C11B	0.08 (3)	0.10 (2)	0.13 (3)	0.029 (19)	−0.01 (2)	0.011 (18)
O3B	0.12 (3)	0.13 (3)	0.08 (2)	0.02 (2)	0.009 (18)	0.016 (19)
C12B	0.10 (2)	0.10 (2)	0.096 (19)	0.020 (18)	0.004 (17)	0.012 (15)
C13B	0.08 (2)	0.16 (3)	0.10 (3)	0.03 (2)	0.01 (2)	0.02 (2)
O1B	0.15 (5)	0.22 (5)	0.17 (4)	0.01 (4)	−0.01 (3)	0.09 (4)
C830	0.053 (18)	0.11 (2)	0.052 (15)	−0.003 (16)	0.020 (13)	−0.011 (13)
C829	0.068 (19)	0.12 (2)	0.068 (18)	0.006 (17)	0.034 (14)	0.006 (15)
C828	0.07 (2)	0.15 (3)	0.073 (19)	0.009 (19)	0.017 (14)	0.019 (19)
C827	0.08 (2)	0.15 (3)	0.077 (19)	−0.01 (2)	−0.003 (17)	−0.007 (16)
C826	0.08 (2)	0.13 (2)	0.071 (19)	−0.014 (18)	0.007 (16)	−0.024 (16)
C825	0.055 (18)	0.11 (2)	0.060 (16)	−0.002 (16)	0.019 (13)	−0.020 (15)
C14B	0.20 (6)	0.24 (7)	0.18 (4)	−0.01 (6)	0.11 (4)	0.04 (5)
C15B	0.15 (6)	0.16 (5)	0.10 (3)	0.01 (5)	0.03 (3)	0.00 (3)
C804	0.18 (3)	0.14 (3)	0.06 (2)	0.03 (3)	0.00 (2)	−0.01 (2)
C803	0.17 (3)	0.17 (3)	0.06 (2)	0.03 (3)	0.016 (19)	−0.03 (2)
C802	0.19 (3)	0.18 (3)	0.07 (2)	0.05 (3)	0.02 (2)	−0.02 (2)
C801	0.21 (3)	0.18 (3)	0.09 (3)	0.05 (3)	0.01 (2)	−0.02 (3)
C806	0.22 (3)	0.15 (3)	0.08 (2)	0.05 (3)	0.00 (2)	0.00 (2)
C805	0.20 (3)	0.14 (3)	0.08 (2)	0.03 (3)	−0.01 (2)	−0.01 (2)

Geometric parameters (Å, º)

I311—Zn36	2.549 (6)	C331—C330	1.362 (16)
I404—Zn42	2.548 (12)	C323—H323	0.9500
I307—Zn34	2.521 (7)	C358—H358	0.9500
I308—Zn34	2.529 (8)	C314—H314	0.9500
I403—Zn42	2.550 (10)	C381—C385	1.39 (2)
I313—Zn37	2.544 (13)	C381—C382	1.37 (2)
I310—Zn35	2.527 (10)	C369—H369	0.9500
I405—Zn43	2.532 (14)	C340—H340	0.9500
I309—Zn35	2.537 (9)	C392—H392	0.9500
I312—Zn36	2.506 (6)	C390—H390	0.9500
I314—Zn37	2.538 (13)	C390—C389	1.35 (2)
I406—Zn43	2.547 (14)	C365—H365	0.9500
I318—Zn39	2.524 (7)	C394—H394	0.9500
I317—Zn39	2.553 (7)	C394—C395	1.370 (19)
I301—Zn31	2.529 (14)	C404—H404	0.9500
I316—Zn38	2.526 (6)	C404—C405	1.43 (2)
I302—Zn31	2.553 (15)	C8A—C9A	1.391 (13)
I315—Zn38	2.514 (7)	C385—H385	0.9500
Zn42—N306	2.080 (12)	C385—C384	1.40 (2)
Zn42—N307	2.034 (12)	C408—H408	0.9500
Zn36—N318	2.036 (11)	C408—C407	1.406 (19)
Zn36—N319	2.105 (10)	C337—H337	0.9500
Zn43—N305^i	2.14 (4)	C330—H330	0.9500
Zn43—N311	2.060 (16)	C11A—H11A	0.9500
Zn34—N312	2.068 (11)	C11A—C12A	1.385 (13)
Zn34—N313	2.029 (14)	C11A—C10A	1.361 (14)
Zn35—N323^ii	2.099 (16)	C389—H389	0.9500
Zn35—N317	2.094 (13)	C401—H401	0.9500
Zn39—N331	2.082 (13)	C407—H407	0.9500
Zn39—N330	2.053 (13)	C405—H405	0.9500
Zn37—N324	2.058 (15)	C14A—H14A	0.9800
Zn37—N325	2.064 (19)	C14A—H14B	0.9800
Zn31—N335^iii	2.14 (2)	C14A—H14C	0.9800
Zn31—N301	2.104 (18)	C395—H395	0.9500
Zn38—N336^iv	2.101 (12)	C376—H376	0.9500
Zn38—N329	2.124 (15)	C376—C377	1.45 (3)
N310—C326	1.321 (12)	C366—H366	0.9500
N310—C325	1.325 (12)	C366—C367	1.362 (17)
N309—C324	1.317 (12)	C305—H305	0.9500
N309—C325	1.353 (12)	C305—C304	1.34 (2)
N308—C324	1.335 (12)	C384—H384	0.9500
N308—C326	1.341 (12)	C304—H304	0.9500
N316—C344	1.354 (14)	C403—H403	0.9500
N316—C343	1.345 (13)	C403—C402	1.39 (2)
N312—C332	1.317 (14)	C367—H367	0.9500
N312—C336	1.364 (15)	C373—H373	0.9500
N312—Zn44	2.088 (12)	C373—C374	1.33 (2)
N312—Zn54	1.94 (4)	C377—H377	0.9500
N332—C396	1.354 (14)	C9A—H9A	0.9500
N332—C397	1.287 (14)	C9A—C10A	1.375 (14)
N306—C318	1.337 (14)	C302—H302	0.9500
N306—C314	1.352 (17)	C302—C301	1.40 (2)
N306—Zn32	2.064 (9)	C10A—H10A	0.9500
N320—C362	1.346 (13)	C13A—H13A	0.9900
N320—C360	1.300 (14)	C13A—H13B	0.9900
N315—C344	1.317 (15)	C350—H350	0.9500
N315—C342	1.339 (13)	C301—H301	0.9500
N304—C308	1.328 (14)	C382—H382	0.9500
N304—C307	1.327 (14)	C382—C383	1.44 (3)
N307—C319	1.326 (14)	C374—H374	0.9500
N307—C323	1.348 (14)	C402—H402	0.9500
N307—Zn32	2.075 (8)	C310—H310	0.9500
N318—C347	1.326 (16)	C310—C311	1.39 (2)
N318—C348	1.331 (15)	C383—H383	0.9500
N318—Zn46	2.121 (13)	C311—H311	0.9500
N321—C361	1.303 (14)	C311—Zn53^v	2.45 (5)
N321—C360	1.350 (13)	C387—H387	0.9500
N313—C341	1.349 (16)	C387—C386	1.41 (2)
N313—C337	1.313 (16)	C386—H386	0.9500
N313—Zn44	2.030 (14)	I303—Zn32	2.540 (5)
N313—Zn54	2.57 (4)	Zn32—I304	2.517 (6)
N333—C396	1.318 (14)	I411—Zn46	2.542 (10)
N333—C398	1.331 (15)	Zn46—I412	2.524 (11)
N314—C343	1.320 (15)	I305—Zn33	2.525 (7)
N314—C342	1.323 (14)	Zn33—I306	2.541 (7)
N305—C312	1.294 (15)	I401—Zn41	2.533 (17)
N305—C311	1.36 (2)	Zn41—I402	2.58 (2)
N305—Zn33^v	2.001 (18)	I413—Zn47	2.564 (10)
N305—Zn53^v	1.94 (5)	Zn47—I414	2.556 (9)
N323—C365	1.333 (14)	Zn48—I415	2.488 (14)
N323—C366	1.310 (16)	Zn48—I416	2.549 (15)
N323—Zn45^vi	2.03 (2)	I409—Zn45	2.517 (11)
N323—Zn55^vi	2.27 (4)	Zn45—I410	2.522 (11)
N334—C397	1.325 (14)	I407—Zn44	2.521 (10)
N334—C398	1.341 (15)	Zn44—I408	2.534 (10)
N317—C354	1.301 (17)	I417—Zn49	2.537 (9)
N317—C350	1.32 (2)	Zn49—I418	2.524 (10)
N317—Zn45	2.069 (14)	I505—Zn53	2.42 (5)
N317—Zn55	2.039 (19)	I506—Zn53	2.72 (6)
C321—C324	1.491 (12)	I501—Zn51	2.57 (3)
C321—C320	1.366 (14)	I502—Zn51	2.47 (4)
C321—C322	1.381 (14)	I514—Zn57	2.49 (4)
O2A—C8A	1.38 (2)	I513—Zn57	2.52 (4)
O2A—C14A	1.434 (14)	I515—Zn58	2.54 (4)
N311—C329	1.314 (14)	I516—Zn58	2.52 (5)
N311—C330	1.340 (16)	I508—Zn54	2.39 (5)
N311—Zn33	2.053 (10)	I507—Zn54	2.66 (5)
N311—Zn53	2.17 (5)	I510—Zn55	2.505 (17)
N324—C372	1.333 (16)	I509—Zn55	2.512 (17)
N324—C368	1.329 (16)	C15A—H15A	0.9800
N324—Zn47	2.067 (13)	C15A—H15B	0.9800
N324—Zn57	2.30 (2)	C15A—H15C	0.9800
N302—C308	1.317 (15)	C3B—H3B	0.9500
N302—C306	1.342 (15)	C3B—C4B	1.383 (18)
N322—C361	1.348 (14)	C3B—C2B	1.385 (19)
N322—C362	1.332 (13)	C4B—C5B	1.384 (18)
C345—C346	1.371 (14)	C4B—C7B	1.490 (19)
C345—C343	1.472 (15)	C5B—C6B	1.391 (18)
C345—C349	1.376 (18)	C5B—C13B	1.51 (2)
O3A—C12A	1.37 (2)	C6B—H6B	0.9500
O3A—C15A	1.435 (15)	C6B—C1B	1.382 (19)
C344—C352	1.503 (15)	C9B—H9B	0.9500
C327—C325	1.483 (12)	C9B—C10B	1.385 (19)
C327—C328	1.355 (14)	C9B—C8B	1.381 (18)
C327—C331	1.378 (14)	C10B—H10B	0.9500
N319—C355	1.356 (14)	C10B—C11B	1.386 (19)
N319—C359	1.320 (15)	C1B—H1B	0.9500
N319—Zn46	1.991 (13)	C1B—C2B	1.393 (18)
N328—C379	1.344 (17)	C2B—H2B	0.9500
N328—C380	1.327 (16)	C7B—C8B	1.379 (19)
C317—H317	0.9500	C7B—C12B	1.380 (19)
C317—C316	1.387 (16)	O2B—C8B	1.372 (19)
C317—C318	1.359 (15)	O2B—C14B	1.44 (2)
C334—C326	1.495 (13)	C810—H81A	0.9900
C334—C333	1.403 (14)	C810—H81B	0.9900
C334—C335	1.382 (14)	C810—C811	1.539 (13)
N327—C379	1.311 (18)	C810—C809	1.532 (13)
N327—C378	1.316 (17)	C811—H81C	0.9900
C346—H346	0.9500	C811—H81D	0.9900
C346—C347	1.361 (16)	C811—C812	1.534 (13)
C339—C342	1.492 (18)	C812—H81E	0.9900
C339—C338	1.358 (16)	C812—H81F	0.9900
C339—C340	1.363 (18)	C812—C807	1.532 (13)
N325—C373	1.33 (2)	C807—H80A	0.9900
N325—C377	1.28 (2)	C807—H80B	0.9900
N325—Zn47	2.075 (15)	C807—C808	1.536 (13)
N325—Zn57	1.95 (4)	C808—H80C	0.9900
C316—C308	1.476 (14)	C808—H80D	0.9900
C316—C315	1.393 (16)	C808—C809	1.525 (13)
N331—C391	1.322 (16)	C809—H80E	0.9900
N331—C395	1.334 (17)	C809—H80F	0.9900
N331—Zn49	2.041 (13)	C1—H1C	0.9900
N330—C390	1.307 (17)	C1—H1D	0.9900
N330—C386	1.37 (2)	C1—C8	1.537 (13)
N330—Zn49	2.062 (14)	C1—C12	1.540 (13)
N303—C307	1.331 (16)	C8—H8A	0.9900
N303—C306	1.319 (16)	C8—H8B	0.9900
C320—H320	0.9500	C8—C9	1.535 (13)
C320—C319	1.395 (14)	C9—H9C	0.9900
C370—C362	1.466 (14)	C9—H9D	0.9900
C370—C371	1.385 (16)	C9—C10	1.536 (13)
C370—C369	1.379 (16)	C10—H10C	0.9900
O1A—H1A	0.8400	C10—H10D	0.9900
O1A—C13A	1.404 (13)	C10—C11	1.536 (13)
C361—C363	1.520 (14)	C11—H11C	0.9900
C332—H332	0.9500	C11—H11D	0.9900
C332—C333	1.375 (14)	C11—C12	1.537 (13)
C333—H333	0.9500	C12—H12A	0.9900
C396—C393	1.475 (17)	C12—H12B	0.9900
C336—H336	0.9500	C813—H81G	0.9900
C336—C335	1.345 (15)	C813—H81H	0.9900
C397—C399	1.482 (15)	C813—C818	1.536 (13)
C347—H347	0.9500	C813—C814	1.536 (13)
N335—C404	1.29 (2)	C818—H81I	0.9900
N335—C408	1.33 (2)	C818—H81J	0.9900
N335—Zn41^vii	1.96 (3)	C818—C817	1.534 (13)
N335—Zn51^vii	2.17 (2)	C817—H81K	0.9900
C352—C353	1.343 (18)	C817—H81L	0.9900
C352—C351	1.383 (18)	C817—C816	1.535 (13)
C309—C307	1.477 (16)	C816—H81M	0.9900
C309—C313	1.359 (18)	C816—H81N	0.9900
C309—C310	1.426 (18)	C816—C815	1.534 (13)
N326—C378	1.303 (17)	C815—H81O	0.9900
N326—C380	1.332 (17)	C815—H81P	0.9900
C318—H318	0.9500	C815—C814	1.536 (13)
C357—C360	1.494 (15)	C814—H81Q	0.9900
C357—C356	1.369 (16)	C814—H81R	0.9900
C357—C358	1.381 (15)	C823—H82A	0.9900
C319—H319	0.9500	C823—H82B	0.9900
C329—H329	0.9500	C823—C822	1.527 (13)
C329—C328	1.381 (14)	C823—C824	1.525 (13)
C399—C400	1.372 (16)	C822—H82C	0.9900
C399—C403	1.363 (18)	C822—H82D	0.9900
C379—C381	1.470 (19)	C822—C821	1.535 (13)
C312—H312	0.9500	C821—H82E	0.9900
C312—C313	1.383 (17)	C821—H82F	0.9900
C363—C364	1.372 (16)	C821—C820	1.531 (13)
C363—C367	1.350 (16)	C820—H82G	0.9900
C354—H354	0.9500	C820—H82H	0.9900
C354—C353	1.394 (16)	C820—C819	1.531 (13)
C322—H322	0.9500	C819—H81S	0.9900
C322—C323	1.368 (15)	C819—H81T	0.9900
C328—H328	0.9500	C819—C824	1.527 (13)
C406—C398	1.497 (15)	C824—H82I	0.9900
C406—C407	1.402 (19)	C824—H82J	0.9900
C406—C405	1.393 (18)	C11B—H11B	0.9500
C313—H313	0.9500	C11B—C12B	1.393 (19)
C364—H364	0.9500	O3B—C12B	1.38 (2)
C364—C365	1.373 (15)	O3B—C15B	1.44 (2)
N336—C401	1.333 (17)	C13B—H13C	0.9900
N336—C402	1.33 (2)	C13B—H13D	0.9900
N336—Zn48^viii	2.067 (16)	C13B—O1B	1.42 (2)
N336—Zn58^viii	2.22 (5)	O1B—H1BA	0.8400
C335—H335	0.9500	C830—H83A	0.9900
C400—H400	0.9500	C830—H83B	0.9900
C400—C401	1.398 (17)	C830—C829	1.535 (13)
C393—C392	1.378 (17)	C830—C825	1.534 (13)
C393—C394	1.399 (17)	C829—H82K	0.9900
C349—H349	0.9500	C829—H82L	0.9900
C349—C348	1.347 (17)	C829—C828	1.542 (13)
C353—H353	0.9500	C828—H82M	0.9900
C371—H371	0.9500	C828—H82N	0.9900
C371—C372	1.380 (17)	C828—C827	1.539 (13)
C7A—C4A	1.507 (11)	C827—H82O	0.9900
C7A—C8A	1.379 (13)	C827—H82P	0.9900
C7A—C12A	1.396 (13)	C827—C826	1.537 (13)
C356—H356	0.9500	C826—H82Q	0.9900
C356—C355	1.359 (16)	C826—H82R	0.9900
N329—C384	1.29 (2)	C826—C825	1.536 (13)
N329—C383	1.32 (2)	C825—H82S	0.9900
N329—Zn48	2.097 (16)	C825—H82T	0.9900
N329—Zn58	2.39 (5)	C14B—H14D	0.9799
C4A—C5A	1.3900	C14B—H14E	0.9800
C4A—C3A	1.3900	C14B—H14F	0.9800
C5A—C6A	1.3900	C15B—H15D	0.9800
C5A—C13A	1.501 (14)	C15B—H15E	0.9800
C6A—H6A	0.9500	C15B—H15F	0.9800
C6A—C1A	1.3900	C804—H80G	0.9900
C1A—H1AA	0.9500	C804—H80H	0.9900
C1A—C2A	1.3900	C804—C803	1.538 (13)
C2A—H2A	0.9500	C804—C805	1.536 (13)
C2A—C3A	1.3900	C803—H80I	0.9900
C3A—H3A	0.9500	C803—H80J	0.9900
C306—C303	1.475 (19)	C803—C802	1.542 (13)
C348—H348	0.9500	C802—H80K	0.9900
C355—H355	0.9500	C802—H80L	0.9900
C375—C378	1.50 (2)	C802—C801	1.535 (13)
C375—C376	1.37 (2)	C801—H80M	0.9900
C375—C374	1.37 (2)	C801—H80N	0.9900
C372—H372	0.9500	C801—C806	1.527 (13)
C368—H368	0.9500	C806—H80O	0.9900
C368—C369	1.373 (17)	C806—H80P	0.9900
C388—C380	1.488 (19)	C806—C805	1.528 (13)
C388—C389	1.40 (2)	C805—H80Q	0.9900
C388—C387	1.38 (2)	C805—H80R	0.9900
C303—C304	1.35 (2)	C831—H83C	0.9900
C303—C302	1.36 (2)	C831—H83D	0.9900
C359—H359	0.9500	C831—C836	1.536 (13)
C359—C358	1.388 (15)	C831—C832	1.535 (13)
N301—C305	1.31 (2)	C836—H83E	0.9900
N301—C301	1.30 (2)	C836—H83F	0.9900
N301—Zn41	2.11 (2)	C836—C835	1.538 (13)
N301—Zn51	1.99 (3)	C835—H83G	0.9900
C315—H315	0.9500	C835—H83H	0.9900
C315—C314	1.369 (17)	C835—C834	1.543 (13)
C338—H338	0.9500	C834—H83I	0.9900
C338—C337	1.40 (2)	C834—H83J	0.9900
C391—H391	0.9500	C834—C833	1.543 (13)
C391—C392	1.369 (18)	C833—H83K	0.9900
C341—H341	0.9500	C833—H83L	0.9900
C341—C340	1.38 (2)	C833—C832	1.534 (13)
C351—H351	0.9500	C832—H83M	0.9900
C351—C350	1.403 (19)	C832—H83N	0.9900
C331—H331	0.9500
I404—Zn42—I403	127.1 (6)	H14A—C14A—H14B	109.5
N306—Zn42—I404	110.5 (7)	H14A—C14A—H14C	109.5
N306—Zn42—I403	105.5 (5)	H14B—C14A—H14C	109.5
N307—Zn42—I404	101.4 (6)	N331—C395—C394	122.5 (13)
N307—Zn42—I403	108.2 (6)	N331—C395—H395	118.7
N307—Zn42—N306	101.4 (5)	C394—C395—H395	118.7
I312—Zn36—I311	125.6 (3)	C375—C376—H376	120.0
N318—Zn36—I311	107.6 (4)	C375—C376—C377	120.1 (16)
N318—Zn36—I312	106.1 (4)	C377—C376—H376	120.0
N318—Zn36—N319	101.3 (4)	N323—C366—H366	116.6
N319—Zn36—I311	107.4 (3)	N323—C366—C367	126.9 (12)
N319—Zn36—I312	106.2 (4)	C367—C366—H366	116.6
I405—Zn43—I406	127.0 (10)	N301—C305—H305	118.3
N305^i—Zn43—I405	103.7 (10)	N301—C305—C304	123.4 (18)
N305^i—Zn43—I406	103.8 (10)	C304—C305—H305	118.3
N311—Zn43—I405	111.3 (8)	N329—C384—C385	121 (2)
N311—Zn43—I406	108.2 (8)	N329—C384—H384	119.7
N311—Zn43—N305^i	98.6 (12)	C385—C384—H384	119.7
I307—Zn34—I308	119.5 (3)	C303—C304—H304	119.0
N312—Zn34—I307	108.9 (4)	C305—C304—C303	121.9 (17)
N312—Zn34—I308	110.0 (4)	C305—C304—H304	119.0
N313—Zn34—I307	107.2 (4)	C399—C403—H403	120.2
N313—Zn34—I308	107.3 (4)	C399—C403—C402	119.6 (13)
N313—Zn34—N312	102.6 (5)	C402—C403—H403	120.2
I310—Zn35—I309	126.9 (5)	C363—C367—C366	116.2 (11)
N323^ii—Zn35—I310	104.2 (5)	C363—C367—H367	121.9
N323^ii—Zn35—I309	109.2 (6)	C366—C367—H367	121.9
N317—Zn35—I310	110.3 (6)	N325—C373—H373	117.5
N317—Zn35—I309	104.3 (5)	N325—C373—C374	125.1 (16)
N317—Zn35—N323^ii	98.5 (6)	C374—C373—H373	117.5
I318—Zn39—I317	124.4 (4)	N325—C377—C376	120.5 (17)
N331—Zn39—I318	107.6 (5)	N325—C377—H377	119.8
N331—Zn39—I317	109.2 (4)	C376—C377—H377	119.8
N330—Zn39—I318	108.2 (5)	C8A—C9A—H9A	120.6
N330—Zn39—I317	103.3 (5)	C10A—C9A—C8A	118.7 (13)
N330—Zn39—N331	101.9 (5)	C10A—C9A—H9A	120.6
I314—Zn37—I313	123.4 (6)	C303—C302—H302	120.5
N324—Zn37—I313	110.9 (7)	C303—C302—C301	119.1 (17)
N324—Zn37—I314	107.1 (6)	C301—C302—H302	120.5
N324—Zn37—N325	103.1 (7)	C11A—C10A—C9A	121.2 (13)
N325—Zn37—I313	107.9 (7)	C11A—C10A—H10A	119.4
N325—Zn37—I314	102.4 (7)	C9A—C10A—H10A	119.4
I301—Zn31—I302	122.6 (7)	O1A—C13A—C5A	113.4 (11)
N335^iii—Zn31—I301	108.3 (8)	O1A—C13A—H13A	108.9
N335^iii—Zn31—I302	110.2 (7)	O1A—C13A—H13B	108.9
N301—Zn31—I301	101.2 (7)	C5A—C13A—H13A	108.9
N301—Zn31—I302	113.6 (9)	C5A—C13A—H13B	108.9
N301—Zn31—N335^iii	97.8 (8)	H13A—C13A—H13B	107.7
I315—Zn38—I316	127.6 (3)	N317—C350—C351	122.3 (14)
N336^iv—Zn38—I316	106.6 (5)	N317—C350—H350	118.9
N336^iv—Zn38—I315	107.5 (5)	C351—C350—H350	118.9
N336^iv—Zn38—N329	97.6 (5)	N301—C301—C302	123.3 (19)
N329—Zn38—I316	109.3 (6)	N301—C301—H301	118.4
N329—Zn38—I315	104.3 (5)	C302—C301—H301	118.4
C326—N310—C325	115.7 (8)	C381—C382—H382	119.6
C324—N309—C325	115.7 (8)	C381—C382—C383	121 (2)
C324—N308—C326	113.9 (8)	C383—C382—H382	119.6
C343—N316—C344	114.2 (11)	C375—C374—H374	119.9
C332—N312—Zn34	122.2 (8)	C373—C374—C375	120.2 (17)
C332—N312—C336	116.9 (9)	C373—C374—H374	119.9
C332—N312—Zn44	124.5 (8)	N336—C402—C403	121.6 (15)
C332—N312—Zn54	98.9 (16)	N336—C402—H402	119.2
C336—N312—Zn34	120.9 (7)	C403—C402—H402	119.2
C336—N312—Zn44	118.6 (8)	C309—C310—H310	121.3
C336—N312—Zn54	142.1 (16)	C311—C310—C309	117.4 (16)
C397—N332—C396	115.5 (10)	C311—C310—H310	121.3
C318—N306—Zn42	126.4 (10)	N329—C383—C382	118.4 (18)
C318—N306—C314	116.8 (10)	N329—C383—H383	120.8
C318—N306—Zn32	123.6 (9)	C382—C383—H383	120.8
C314—N306—Zn42	116.5 (8)	N305—C311—C310	123.5 (13)
C314—N306—Zn32	119.3 (7)	N305—C311—H311	118.2
C360—N320—C362	115.2 (9)	N305—C311—Zn53^v	52.0 (13)
C344—N315—C342	113.8 (10)	C310—C311—H311	118.2
C307—N304—C308	113.8 (10)	C310—C311—Zn53^v	174 (2)
C319—N307—Zn42	119.8 (8)	C388—C387—H387	119.6
C319—N307—C323	117.0 (9)	C388—C387—C386	120.9 (17)
C319—N307—Zn32	121.6 (7)	C386—C387—H387	119.6
C323—N307—Zn42	123.1 (7)	N330—C386—C387	118.9 (17)
C323—N307—Zn32	121.2 (7)	N330—C386—H386	120.6
C347—N318—Zn36	118.6 (7)	C387—C386—H386	120.6
C347—N318—C348	116.3 (11)	N306—Zn32—N307	100.5 (4)
C347—N318—Zn46	123.2 (8)	N306—Zn32—I303	108.7 (4)
C348—N318—Zn36	125.1 (10)	N306—Zn32—I304	108.6 (4)
C348—N318—Zn46	120.3 (10)	N307—Zn32—I303	107.2 (3)
C361—N321—C360	114.8 (10)	N307—Zn32—I304	106.2 (4)
C341—N313—Zn34	124.4 (10)	I304—Zn32—I303	123.3 (3)
C341—N313—Zn44	122.1 (10)	N318—Zn46—I411	107.1 (5)
C341—N313—Zn54	142.5 (14)	N318—Zn46—I412	110.6 (5)
C337—N313—Zn34	120.2 (10)	N319—Zn46—N318	102.2 (5)
C337—N313—C341	115.4 (13)	N319—Zn46—I411	102.5 (5)
C337—N313—Zn44	122.5 (10)	N319—Zn46—I412	108.7 (6)
C337—N313—Zn54	101.6 (14)	I412—Zn46—I411	123.6 (5)
C396—N333—C398	113.3 (9)	N305^i—Zn33—N311	103.6 (6)
C343—N314—C342	116.2 (9)	N305^i—Zn33—I305	107.2 (5)
C312—N305—Zn43^v	123.3 (11)	N305^i—Zn33—I306	108.7 (5)
C312—N305—C311	116.7 (11)	N311—Zn33—I305	107.1 (5)
C312—N305—Zn33^v	125.2 (10)	N311—Zn33—I306	104.9 (5)
C312—N305—Zn53^v	148.6 (18)	I305—Zn33—I306	123.6 (5)
C311—N305—Zn43^v	119.9 (9)	N335^iii—Zn41—N301	103.5 (11)
C311—N305—Zn33^v	117.9 (8)	N335^iii—Zn41—I401	114.4 (13)
C311—N305—Zn53^v	94.5 (17)	N335^iii—Zn41—I402	104.9 (9)
Zn33^v—N305—Zn43^v	2.0 (5)	N301—Zn41—I401	103.2 (9)
Zn35^vi—N323—Zn55^vi	3.6 (6)	N301—Zn41—I402	108.0 (12)
C365—N323—Zn35^vi	124.2 (7)	I401—Zn41—I402	121.3 (10)
C365—N323—Zn45^vi	122.4 (8)	N324—Zn47—N325	102.4 (6)
C365—N323—Zn55^vi	126.5 (8)	N324—Zn47—I413	110.7 (6)
C366—N323—Zn35^vi	120.1 (8)	N324—Zn47—I414	105.9 (5)
C366—N323—C365	115.1 (10)	N325—Zn47—I413	104.3 (5)
C366—N323—Zn45^vi	122.5 (8)	N325—Zn47—I414	112.1 (6)
C366—N323—Zn55^vi	117.2 (9)	I414—Zn47—I413	120.1 (4)
Zn45^vi—N323—Zn55^vi	10.4 (6)	N336^iv—Zn48—N329	99.6 (6)
C397—N334—C398	114.0 (9)	N336^iv—Zn48—I415	110.9 (8)
C354—N317—Zn35	120.1 (11)	N336^iv—Zn48—I416	99.4 (7)
C354—N317—C350	118.4 (12)	N329—Zn48—I415	112.3 (8)
C354—N317—Zn45	126.9 (11)	N329—Zn48—I416	105.3 (8)
C354—N317—Zn55	116.1 (12)	I415—Zn48—I416	125.6 (6)
C350—N317—Zn35	120.5 (10)	N323^ii—Zn45—N317	101.6 (7)
C350—N317—Zn45	113.3 (10)	N323^ii—Zn45—I409	112.2 (7)
C350—N317—Zn55	125.1 (11)	N323^ii—Zn45—I410	101.7 (7)
C320—C321—C324	119.8 (9)	N317—Zn45—I409	107.0 (6)
C320—C321—C322	119.1 (9)	N317—Zn45—I410	104.2 (7)
C322—C321—C324	121.1 (9)	I409—Zn45—I410	127.1 (7)
C8A—O2A—C14A	118.2 (13)	N312—Zn44—I407	103.2 (5)
C329—N311—Zn43	123.4 (10)	N312—Zn44—I408	109.5 (5)
C329—N311—C330	116.2 (9)	N313—Zn44—N312	101.8 (5)
C329—N311—Zn33	124.4 (8)	N313—Zn44—I407	110.6 (5)
C329—N311—Zn53	109.3 (15)	N313—Zn44—I408	108.1 (5)
C330—N311—Zn43	119.3 (10)	I407—Zn44—I408	121.7 (5)
C330—N311—Zn33	119.0 (8)	N331—Zn49—N330	103.0 (6)
C330—N311—Zn53	132.9 (15)	N331—Zn49—I417	104.6 (5)
C372—N324—Zn37	120.5 (9)	N331—Zn49—I418	106.1 (6)
C372—N324—Zn47	115.2 (9)	N330—Zn49—I417	108.9 (6)
C372—N324—Zn57	134.3 (13)	N330—Zn49—I418	106.8 (6)
C368—N324—Zn37	121.8 (9)	I418—Zn49—I417	125.3 (5)
C368—N324—C372	117.6 (11)	N305^i—Zn53—N311	102 (2)
C368—N324—Zn47	127.1 (9)	N305^i—Zn53—C311^i	33.5 (10)
C368—N324—Zn57	107.4 (12)	N305^i—Zn53—I505	120 (2)
C308—N302—C306	116.2 (10)	N305^i—Zn53—I506	98 (2)
C362—N322—C361	113.9 (9)	N311—Zn53—C311^i	102 (2)
C346—C345—C343	121.3 (12)	N311—Zn53—I505	122 (2)
C346—C345—C349	117.1 (11)	N311—Zn53—I506	86.5 (17)
C349—C345—C343	121.6 (10)	C311^i—Zn53—I506	131 (2)
C12A—O3A—C15A	117.8 (14)	I505—Zn53—I506	122 (2)
N316—C344—C352	115.3 (11)	N335^iii—Zn51—I501	114.8 (15)
N315—C344—N316	126.1 (10)	N335^iii—Zn51—I502	97.0 (9)
N315—C344—C352	118.5 (10)	N301—Zn51—N335^iii	100.4 (10)
C328—C327—C325	120.9 (9)	N301—Zn51—I501	121.6 (10)
C328—C327—C331	118.8 (9)	N301—Zn51—I502	95.7 (15)
C331—C327—C325	120.3 (9)	I502—Zn51—I501	122.4 (10)
C355—N319—Zn36	121.5 (8)	N324—Zn57—I514	100.3 (11)
C355—N319—Zn46	123.6 (8)	N324—Zn57—I513	113.9 (16)
C359—N319—Zn36	121.1 (7)	N325—Zn57—N324	98.5 (12)
C359—N319—C355	117.3 (10)	N325—Zn57—I514	94.5 (16)
C359—N319—Zn46	118.5 (8)	N325—Zn57—I513	123.8 (14)
N309—C324—N308	125.4 (8)	I514—Zn57—I513	121.1 (13)
N309—C324—C321	117.1 (8)	N336^iv—Zn58—N329	87.2 (17)
N308—C324—C321	117.4 (8)	N336^iv—Zn58—I515	120 (2)
C380—N328—C379	113.4 (13)	N336^iv—Zn58—I516	95.2 (16)
C316—C317—H317	120.4	N329—Zn58—I515	134 (2)
C318—C317—H317	120.4	N329—Zn58—I516	88.7 (14)
C318—C317—C316	119.2 (11)	I516—Zn58—I515	121 (2)
C333—C334—C326	121.7 (8)	N312—Zn54—N313	89.1 (16)
C335—C334—C326	120.9 (9)	N312—Zn54—I508	122 (2)
C335—C334—C333	117.4 (9)	N312—Zn54—I507	101.3 (19)
C379—N327—C378	115.4 (13)	N313—Zn54—I507	88.6 (15)
C345—C346—H346	119.9	I508—Zn54—N313	126.0 (18)
C347—C346—C345	120.1 (13)	I508—Zn54—I507	121.4 (18)
C347—C346—H346	119.9	N323^ii—Zn55—I510	118.9 (14)
N310—C326—N308	125.7 (9)	N323^ii—Zn55—I509	98.5 (11)
N310—C326—C334	117.0 (8)	N317—Zn55—N323^ii	94.8 (13)
N308—C326—C334	117.2 (8)	N317—Zn55—I510	104.7 (10)
C338—C339—C342	120.4 (11)	N317—Zn55—I509	94.9 (10)
C338—C339—C340	118.2 (13)	I510—Zn55—I509	135.3 (18)
C340—C339—C342	121.4 (11)	O3A—C15A—H15A	109.5
N310—C325—N309	123.5 (8)	O3A—C15A—H15B	109.5
N310—C325—C327	119.5 (8)	O3A—C15A—H15C	109.5
N309—C325—C327	117.0 (8)	H15A—C15A—H15B	109.5
C373—N325—Zn37	122.4 (11)	H15A—C15A—H15C	109.5
C373—N325—Zn47	126.9 (11)	H15B—C15A—H15C	109.5
C373—N325—Zn57	105.5 (13)	C4B—C3B—H3B	120.3
C377—N325—Zn37	119.5 (13)	C4B—C3B—C2B	119.4 (17)
C377—N325—C373	118.1 (15)	C2B—C3B—H3B	120.3
C377—N325—Zn47	114.8 (12)	C3B—C4B—C5B	121.7 (17)
C377—N325—Zn57	136.2 (14)	C3B—C4B—C7B	117.9 (18)
C317—C316—C308	121.1 (10)	C5B—C4B—C7B	120.4 (18)
C317—C316—C315	117.7 (10)	C4B—C5B—C6B	118.1 (16)
C315—C316—C308	121.1 (11)	C4B—C5B—C13B	121 (4)
C391—N331—Zn39	121.4 (9)	C6B—C5B—C13B	121 (4)
C391—N331—C395	118.3 (12)	C5B—C6B—H6B	119.5
C391—N331—Zn49	122.6 (9)	C1B—C6B—C5B	121.0 (17)
C395—N331—Zn39	120.0 (9)	C1B—C6B—H6B	119.5
C395—N331—Zn49	118.8 (10)	C10B—C9B—H9B	120.9
N304—C308—C316	116.8 (11)	C8B—C9B—H9B	120.9
N302—C308—N304	125.3 (10)	C8B—C9B—C10B	118 (2)
N302—C308—C316	117.8 (10)	C9B—C10B—H10B	119.5
N316—C343—C345	117.7 (11)	C9B—C10B—C11B	121 (2)
N314—C343—N316	124.1 (10)	C11B—C10B—H10B	119.5
N314—C343—C345	118.1 (9)	C6B—C1B—H1B	120.1
C390—N330—Zn39	125.8 (11)	C6B—C1B—C2B	119.7 (17)
C390—N330—C386	119.2 (13)	C2B—C1B—H1B	120.1
C390—N330—Zn49	124.7 (11)	C3B—C2B—C1B	119.8 (17)
C386—N330—Zn39	114.7 (10)	C3B—C2B—H2B	120.1
C386—N330—Zn49	115.7 (11)	C1B—C2B—H2B	120.1
C306—N303—C307	115.5 (11)	C8B—C7B—C4B	119 (2)
C321—C320—H320	120.7	C8B—C7B—C12B	119 (2)
C321—C320—C319	118.6 (9)	C12B—C7B—C4B	122 (2)
C319—C320—H320	120.7	C8B—O2B—C14B	116 (2)
C371—C370—C362	119.9 (10)	C7B—C8B—C9B	122 (2)
C369—C370—C362	124.6 (10)	O2B—C8B—C9B	126 (3)
C369—C370—C371	115.5 (10)	O2B—C8B—C7B	112 (3)
C13A—O1A—H1A	109.5	H81A—C810—H81B	108.1
N321—C361—N322	125.8 (9)	C811—C810—H81A	109.5
N321—C361—C363	120.1 (10)	C811—C810—H81B	109.5
N322—C361—C363	114.0 (9)	C809—C810—H81A	109.5
N312—C332—H332	117.9	C809—C810—H81B	109.5
N312—C332—C333	124.2 (10)	C809—C810—C811	110.9 (18)
C333—C332—H332	117.9	C810—C811—H81C	109.3
C334—C333—H333	120.9	C810—C811—H81D	109.3
C332—C333—C334	118.3 (9)	H81C—C811—H81D	107.9
C332—C333—H333	120.9	C812—C811—C810	111.7 (16)
N332—C396—C393	116.0 (10)	C812—C811—H81C	109.3
N333—C396—N332	125.1 (10)	C812—C811—H81D	109.3
N333—C396—C393	118.8 (10)	C811—C812—H81E	109.7
N312—C336—H336	118.5	C811—C812—H81F	109.7
C335—C336—N312	122.9 (10)	H81E—C812—H81F	108.2
C335—C336—H336	118.5	C807—C812—C811	109.8 (16)
N332—C397—N334	125.7 (10)	C807—C812—H81E	109.7
N332—C397—C399	117.8 (10)	C807—C812—H81F	109.7
N334—C397—C399	116.4 (10)	C812—C807—H80A	109.3
N318—C347—C346	122.8 (11)	C812—C807—H80B	109.3
N318—C347—H347	118.6	C812—C807—C808	111.7 (16)
C346—C347—H347	118.6	H80A—C807—H80B	107.9
N315—C342—C339	117.1 (10)	C808—C807—H80A	109.3
N314—C342—N315	125.5 (12)	C808—C807—H80B	109.3
N314—C342—C339	117.4 (10)	C807—C808—H80C	109.0
Zn31^vii—N335—Zn51^vii	22.4 (12)	C807—C808—H80D	109.1
C404—N335—Zn31^vii	128.3 (11)	H80C—C808—H80D	107.8
C404—N335—C408	120.2 (13)	C809—C808—C807	112.7 (17)
C404—N335—Zn41^vii	120.9 (13)	C809—C808—H80C	109.0
C404—N335—Zn51^vii	106.4 (14)	C809—C808—H80D	109.0
C408—N335—Zn31^vii	111.5 (12)	C810—C809—H80E	109.7
C408—N335—Zn41^vii	118.9 (13)	C810—C809—H80F	109.6
C408—N335—Zn51^vii	133.0 (15)	C808—C809—C810	110.0 (16)
N320—C362—C370	119.2 (9)	C808—C809—H80E	109.7
N322—C362—N320	124.8 (10)	C808—C809—H80F	109.7
N322—C362—C370	115.8 (9)	H80E—C809—H80F	108.2
C353—C352—C344	123.4 (11)	H1C—C1—H1D	108.2
C353—C352—C351	119.1 (11)	C8—C1—H1C	109.7
C351—C352—C344	117.5 (13)	C8—C1—H1D	109.7
C313—C309—C307	121.4 (10)	C8—C1—C12	110 (2)
C313—C309—C310	117.6 (12)	C12—C1—H1C	109.7
C310—C309—C307	120.7 (13)	C12—C1—H1D	109.7
C378—N326—C380	113.7 (12)	C1—C8—H8A	109.4
N306—C318—C317	124.0 (12)	C1—C8—H8B	109.4
N306—C318—H318	118.0	H8A—C8—H8B	108.0
C317—C318—H318	118.0	C9—C8—C1	111.1 (19)
C356—C357—C360	122.5 (10)	C9—C8—H8A	109.4
C356—C357—C358	117.2 (10)	C9—C8—H8B	109.4
C358—C357—C360	120.3 (10)	C8—C9—H9C	109.2
N320—C360—N321	125.3 (10)	C8—C9—H9D	109.2
N320—C360—C357	119.3 (9)	C8—C9—C10	112.0 (19)
N321—C360—C357	115.4 (9)	H9C—C9—H9D	107.9
N307—C319—C320	123.2 (10)	C10—C9—H9C	109.2
N307—C319—H319	118.4	C10—C9—H9D	109.2
C320—C319—H319	118.4	C9—C10—H10C	109.3
N311—C329—H329	117.5	C9—C10—H10D	109.3
N311—C329—C328	125.0 (10)	C9—C10—C11	112 (2)
C328—C329—H329	117.5	H10C—C10—H10D	107.9
C400—C399—C397	121.2 (11)	C11—C10—H10C	109.3
C403—C399—C397	119.5 (11)	C11—C10—H10D	109.3
C403—C399—C400	119.2 (12)	C10—C11—H11C	109.4
N328—C379—C381	116.4 (14)	C10—C11—H11D	109.4
N327—C379—N328	124.8 (12)	C10—C11—C12	111 (2)
N327—C379—C381	118.6 (13)	H11C—C11—H11D	108.0
N305—C312—H312	117.5	C12—C11—H11C	109.4
N305—C312—C313	124.9 (13)	C12—C11—H11D	109.4
C313—C312—H312	117.5	C1—C12—H12A	109.5
C364—C363—C361	120.4 (10)	C1—C12—H12B	109.5
C367—C363—C361	119.0 (10)	C11—C12—C1	111 (2)
C367—C363—C364	120.6 (10)	C11—C12—H12A	109.5
N317—C354—H354	118.4	C11—C12—H12B	109.5
N317—C354—C353	123.2 (14)	H12A—C12—H12B	108.1
C353—C354—H354	118.4	H81G—C813—H81H	108.3
C321—C322—H322	120.7	C818—C813—H81G	109.9
C323—C322—C321	118.6 (9)	C818—C813—H81H	109.9
C323—C322—H322	120.7	C818—C813—C814	108.7 (19)
C327—C328—C329	117.6 (10)	C814—C813—H81G	109.9
C327—C328—H328	121.2	C814—C813—H81H	109.9
C329—C328—H328	121.2	C813—C818—H81I	109.4
N304—C307—N303	125.9 (11)	C813—C818—H81J	109.4
N304—C307—C309	117.5 (11)	H81I—C818—H81J	108.0
N303—C307—C309	116.6 (10)	C817—C818—C813	111.2 (17)
C407—C406—C398	119.5 (11)	C817—C818—H81I	109.4
C405—C406—C398	122.6 (12)	C817—C818—H81J	109.4
C405—C406—C407	117.7 (12)	C818—C817—H81K	109.4
C309—C313—C312	119.8 (11)	C818—C817—H81L	109.4
C309—C313—H313	120.1	C818—C817—C816	111.0 (18)
C312—C313—H313	120.1	H81K—C817—H81L	108.0
C363—C364—H364	121.2	C816—C817—H81K	109.4
C363—C364—C365	117.6 (10)	C816—C817—H81L	109.4
C365—C364—H364	121.2	C817—C816—H81M	109.5
Zn38^viii—N336—Zn58^viii	38.7 (11)	C817—C816—H81N	109.5
C401—N336—Zn38^viii	123.3 (9)	H81M—C816—H81N	108.1
C401—N336—Zn48^viii	118.9 (9)	C815—C816—C817	110.6 (17)
C401—N336—Zn58^viii	104.5 (15)	C815—C816—H81M	109.5
C402—N336—Zn38^viii	116.9 (11)	C815—C816—H81N	109.5
C402—N336—C401	118.8 (12)	C816—C815—H81O	109.4
C402—N336—Zn48^viii	122.3 (10)	C816—C815—H81P	109.4
C402—N336—Zn58^viii	130.1 (17)	C816—C815—C814	111.1 (16)
C334—C335—H335	119.9	H81O—C815—H81P	108.0
C336—C335—C334	120.3 (10)	C814—C815—H81O	109.4
C336—C335—H335	119.9	C814—C815—H81P	109.4
C399—C400—H400	120.9	C813—C814—C815	110.9 (17)
C399—C400—C401	118.2 (12)	C813—C814—H81Q	109.5
C401—C400—H400	120.9	C813—C814—H81R	109.5
C392—C393—C396	123.1 (11)	C815—C814—H81Q	109.5
C392—C393—C394	115.0 (13)	C815—C814—H81R	109.5
C394—C393—C396	121.9 (11)	H81Q—C814—H81R	108.0
C345—C349—H349	120.5	H82A—C823—H82B	107.3
C348—C349—C345	119.1 (12)	C822—C823—H82A	108.1
C348—C349—H349	120.5	C822—C823—H82B	108.1
C352—C353—C354	118.9 (13)	C824—C823—H82A	108.1
C352—C353—H353	120.5	C824—C823—H82B	108.1
C354—C353—H353	120.5	C824—C823—C822	117 (2)
N333—C398—N334	126.2 (10)	C823—C822—H82C	108.8
N333—C398—C406	117.8 (10)	C823—C822—H82D	108.8
N334—C398—C406	115.9 (10)	C823—C822—C821	113.8 (19)
C370—C371—H371	119.3	H82C—C822—H82D	107.7
C372—C371—C370	121.5 (12)	C821—C822—H82C	108.8
C372—C371—H371	119.3	C821—C822—H82D	108.8
C8A—C7A—C4A	121.0 (11)	C822—C821—H82E	108.9
C8A—C7A—C12A	119.0 (12)	C822—C821—H82F	108.9
C12A—C7A—C4A	119.9 (10)	H82E—C821—H82F	107.7
C357—C356—H356	119.6	C820—C821—C822	113.2 (19)
C355—C356—C357	120.8 (11)	C820—C821—H82E	108.9
C355—C356—H356	119.6	C820—C821—H82F	108.9
C384—N329—Zn38	118.8 (15)	C821—C820—H82G	108.9
C384—N329—C383	123.1 (17)	C821—C820—H82H	108.9
C384—N329—Zn48	130.0 (16)	C821—C820—C819	113 (2)
C384—N329—Zn58	154.9 (18)	H82G—C820—H82H	107.7
C383—N329—Zn38	117.5 (13)	C819—C820—H82G	108.9
C383—N329—Zn48	106.4 (13)	C819—C820—H82H	108.9
C383—N329—Zn58	80.9 (15)	C820—C819—H81S	108.5
C5A—C4A—C7A	122.1 (8)	C820—C819—H81T	108.5
C5A—C4A—C3A	120.0	H81S—C819—H81T	107.5
C3A—C4A—C7A	117.9 (8)	C824—C819—C820	115.2 (19)
C4A—C5A—C13A	119.0 (7)	C824—C819—H81S	108.5
C6A—C5A—C4A	120.0	C824—C819—H81T	108.5
C6A—C5A—C13A	121.0 (8)	C823—C824—C819	115.1 (18)
C5A—C6A—H6A	120.0	C823—C824—H82I	108.5
C5A—C6A—C1A	120.0	C823—C824—H82J	108.5
C1A—C6A—H6A	120.0	C819—C824—H82I	108.5
C6A—C1A—H1AA	120.0	C819—C824—H82J	108.5
C2A—C1A—C6A	120.0	H82I—C824—H82J	107.5
C2A—C1A—H1AA	120.0	C10B—C11B—H11B	120.3
C1A—C2A—H2A	120.0	C10B—C11B—C12B	119 (2)
C1A—C2A—C3A	120.0	C12B—C11B—H11B	120.3
C3A—C2A—H2A	120.0	C12B—O3B—C15B	116 (3)
C4A—C3A—H3A	120.0	C7B—C12B—C11B	120 (2)
C2A—C3A—C4A	120.0	O3B—C12B—C7B	111 (3)
C2A—C3A—H3A	120.0	O3B—C12B—C11B	129 (3)
N302—C306—C303	118.7 (11)	C5B—C13B—H13C	109.3
N303—C306—N302	123.3 (13)	C5B—C13B—H13D	109.3
N303—C306—C303	118.0 (11)	H13C—C13B—H13D	108.0
N318—C348—C349	124.3 (14)	O1B—C13B—C5B	112 (2)
N318—C348—H348	117.8	O1B—C13B—H13C	109.3
C349—C348—H348	117.8	O1B—C13B—H13D	109.3
N319—C355—C356	122.3 (11)	C13B—O1B—H1BA	109.5
N319—C355—H355	118.9	H83A—C830—H83B	108.0
C356—C355—H355	118.9	C829—C830—H83A	109.4
C376—C375—C378	122.4 (14)	C829—C830—H83B	109.4
C376—C375—C374	115.8 (16)	C825—C830—H83A	109.4
C374—C375—C378	121.7 (15)	C825—C830—H83B	109.4
N327—C378—C375	117.5 (13)	C825—C830—C829	111.3 (18)
N326—C378—N327	126.1 (15)	C830—C829—H82K	109.8
N326—C378—C375	116.3 (13)	C830—C829—H82L	109.8
N324—C372—C371	121.6 (12)	C830—C829—C828	109.2 (16)
N324—C372—H372	119.2	H82K—C829—H82L	108.3
C371—C372—H372	119.2	C828—C829—H82K	109.8
N324—C368—H368	118.4	C828—C829—H82L	109.8
N324—C368—C369	123.3 (12)	C829—C828—H82M	109.8
C369—C368—H368	118.4	C829—C828—H82N	109.8
C389—C388—C380	122.4 (12)	H82M—C828—H82N	108.2
C387—C388—C380	120.9 (14)	C827—C828—C829	109.5 (17)
C387—C388—C389	116.6 (13)	C827—C828—H82M	109.8
C304—C303—C306	123.7 (14)	C827—C828—H82N	109.8
C304—C303—C302	115.7 (15)	C828—C827—H82O	109.7
C302—C303—C306	120.6 (13)	C828—C827—H82P	109.7
N319—C359—H359	118.6	H82O—C827—H82P	108.2
N319—C359—C358	122.8 (10)	C826—C827—C828	110.0 (18)
C358—C359—H359	118.6	C826—C827—H82O	109.7
C305—N301—Zn31	128.5 (13)	C826—C827—H82P	109.7
C305—N301—Zn41	124.8 (14)	C827—C826—H82Q	109.5
C305—N301—Zn51	109.7 (14)	C827—C826—H82R	109.5
C301—N301—Zn31	114.3 (14)	H82Q—C826—H82R	108.1
C301—N301—C305	116.5 (16)	C825—C826—C827	110.7 (17)
C301—N301—Zn41	118.8 (14)	C825—C826—H82Q	109.5
C301—N301—Zn51	133.5 (14)	C825—C826—H82R	109.5
C316—C315—H315	120.3	C830—C825—C826	111.3 (16)
C314—C315—C316	119.4 (13)	C830—C825—H82S	109.4
C314—C315—H315	120.3	C830—C825—H82T	109.4
C339—C338—H338	120.7	C826—C825—H82S	109.4
C339—C338—C337	118.6 (12)	C826—C825—H82T	109.4
C337—C338—H338	120.7	H82S—C825—H82T	108.0
N331—C391—H391	119.1	O2B—C14B—H14D	109.5
N331—C391—C392	121.7 (12)	O2B—C14B—H14E	109.5
C392—C391—H391	119.1	O2B—C14B—H14F	109.5
N313—C341—H341	118.3	H14D—C14B—H14E	109.5
N313—C341—C340	123.4 (13)	H14D—C14B—H14F	109.5
C340—C341—H341	118.3	H14E—C14B—H14F	109.5
C352—C351—H351	121.0	O3B—C15B—H15D	109.5
C352—C351—C350	117.9 (15)	O3B—C15B—H15E	109.5
C350—C351—H351	121.0	O3B—C15B—H15F	109.5
C327—C331—H331	120.3	H15D—C15B—H15E	109.5
C330—C331—C327	119.5 (11)	H15D—C15B—H15F	109.5
C330—C331—H331	120.3	H15E—C15B—H15F	109.5
N307—C323—C322	123.5 (10)	H80G—C804—H80H	108.1
N307—C323—H323	118.3	C803—C804—H80G	109.6
C322—C323—H323	118.3	C803—C804—H80H	109.6
C357—C358—C359	119.5 (11)	C805—C804—H80G	109.6
C357—C358—H358	120.2	C805—C804—H80H	109.6
C359—C358—H358	120.2	C805—C804—C803	110 (2)
N328—C380—N326	126.3 (13)	C804—C803—H80I	109.7
N328—C380—C388	116.3 (13)	C804—C803—H80J	109.7
N326—C380—C388	117.3 (11)	C804—C803—C802	110.0 (17)
N306—C314—C315	122.8 (12)	H80I—C803—H80J	108.2
N306—C314—H314	118.6	C802—C803—H80I	109.7
C315—C314—H314	118.6	C802—C803—H80J	109.7
C385—C381—C379	121.0 (14)	C803—C802—H80K	109.6
C382—C381—C379	122.8 (18)	C803—C802—H80L	109.6
C382—C381—C385	116.2 (16)	H80K—C802—H80L	108.1
C370—C369—H369	119.8	C801—C802—C803	110.1 (18)
C368—C369—C370	120.4 (12)	C801—C802—H80K	109.6
C368—C369—H369	119.8	C801—C802—H80L	109.6
C339—C340—C341	119.6 (13)	C802—C801—H80M	109.1
C339—C340—H340	120.2	C802—C801—H80N	109.1
C341—C340—H340	120.2	H80M—C801—H80N	107.8
C393—C392—H392	119.0	C806—C801—C802	112.5 (18)
C391—C392—C393	122.0 (13)	C806—C801—H80M	109.1
C391—C392—H392	119.0	C806—C801—H80N	109.1
N330—C390—H390	118.1	C801—C806—H80O	109.0
N330—C390—C389	123.8 (15)	C801—C806—H80P	109.0
C389—C390—H390	118.1	C801—C806—C805	113.0 (18)
N323—C365—C364	123.6 (11)	H80O—C806—H80P	107.8
N323—C365—H365	118.2	C805—C806—H80O	109.0
C364—C365—H365	118.2	C805—C806—H80P	109.0
C393—C394—H394	119.8	C804—C805—H80Q	109.3
C395—C394—C393	120.4 (13)	C804—C805—H80R	109.3
C395—C394—H394	119.8	C806—C805—C804	111.5 (18)
N335—C404—H404	117.6	C806—C805—H80Q	109.3
N335—C404—C405	124.8 (14)	C806—C805—H80R	109.3
C405—C404—H404	117.6	H80Q—C805—H80R	108.0
O2A—C8A—C7A	115.7 (11)	H83C—C831—H83D	107.8
O2A—C8A—C9A	123.3 (13)	C836—C831—H83C	109.0
C7A—C8A—C9A	120.9 (14)	C836—C831—H83D	109.0
C381—C385—H385	119.6	C832—C831—H83C	109.0
C381—C385—C384	120.8 (18)	C832—C831—H83D	109.0
C384—C385—H385	119.6	C832—C831—C836	113 (2)
N335—C408—H408	120.2	C831—C836—H83E	109.2
N335—C408—C407	119.7 (16)	C831—C836—H83F	109.2
C407—C408—H408	120.2	C831—C836—C835	112.2 (18)
N313—C337—C338	124.7 (12)	H83E—C836—H83F	107.9
N313—C337—H337	117.7	C835—C836—H83E	109.2
C338—C337—H337	117.7	C835—C836—H83F	109.2
N311—C330—C331	122.7 (11)	C836—C835—H83G	109.3
N311—C330—H330	118.6	C836—C835—H83H	109.3
C331—C330—H330	118.6	C836—C835—C834	111.6 (19)
C12A—C11A—H11A	119.9	H83G—C835—H83H	108.0
C10A—C11A—H11A	119.9	C834—C835—H83G	109.3
C10A—C11A—C12A	120.3 (15)	C834—C835—H83H	109.3
C388—C389—H389	120.0	C835—C834—H83I	109.6
C390—C389—C388	120.0 (14)	C835—C834—H83J	109.6
C390—C389—H389	120.0	H83I—C834—H83J	108.1
N336—C401—C400	122.3 (12)	C833—C834—C835	110.5 (19)
N336—C401—H401	118.8	C833—C834—H83I	109.6
C400—C401—H401	118.8	C833—C834—H83J	109.6
C406—C407—C408	121.1 (14)	C834—C833—H83K	109.4
C406—C407—H407	119.5	C834—C833—H83L	109.4
C408—C407—H407	119.5	H83K—C833—H83L	108.0
O3A—C12A—C7A	115.7 (10)	C832—C833—C834	111.2 (19)
O3A—C12A—C11A	124.6 (14)	C832—C833—H83K	109.4
C11A—C12A—C7A	119.7 (15)	C832—C833—H83L	109.4
C406—C405—C404	116.5 (15)	C831—C832—H83M	108.9
C406—C405—H405	121.8	C831—C832—H83N	108.9
C404—C405—H405	121.8	C833—C832—C831	113.3 (19)
O2A—C14A—H14A	109.5	C833—C832—H83M	108.9
O2A—C14A—H14B	109.5	C833—C832—H83N	108.9
O2A—C14A—H14C	109.5	H83M—C832—H83N	107.7
Zn42—N306—C318—C317	171.8 (8)	C306—C303—C302—C301	179.2 (19)
Zn42—N306—C314—C315	−173.5 (11)	C348—N318—C347—C346	−5.1 (16)
Zn42—N307—C319—C320	−177.4 (12)	C355—N319—C359—C358	4 (2)
Zn42—N307—C323—C322	179.4 (11)	C375—C376—C377—N325	1 (4)
Zn36—N318—C347—C346	172.6 (8)	C378—N327—C379—N328	−2.0 (19)
Zn36—N318—C348—C349	−172.2 (10)	C378—N327—C379—C381	−177.5 (12)
Zn36—N319—C355—C356	173.2 (12)	C378—N326—C380—N328	2 (2)
Zn36—N319—C359—C358	−173.5 (13)	C378—N326—C380—C388	178.1 (12)
Zn43^v—N305—C312—C313	176.3 (11)	C378—C375—C376—C377	179.3 (19)
Zn43^v—N305—C311—C310	−177.6 (17)	C378—C375—C374—C373	177.4 (19)
Zn43—N311—C329—C328	169.5 (14)	C372—N324—C368—C369	3 (2)
Zn43—N311—C330—C331	−172.3 (17)	C368—N324—C372—C371	−3 (2)
Zn34—N312—C332—C333	179 (100)	C388—C387—C386—N330	−9 (4)
Zn34—N312—C336—C335	178.2 (12)	C303—C302—C301—N301	0 (4)
Zn34—N313—C341—C340	175.6 (12)	C359—N319—C355—C356	−4 (2)
Zn34—N313—C337—C338	−177.3 (12)	N301—C305—C304—C303	−6 (4)
Zn35^vi—N323—C365—C364	−170.1 (12)	C315—C316—C308—N304	−165.0 (10)
Zn35^vi—N323—C366—C367	170.0 (19)	C315—C316—C308—N302	17.6 (15)
Zn35—N317—C354—C353	−170.3 (10)	C338—C339—C342—N315	−158.1 (11)
Zn35—N317—C350—C351	171.1 (13)	C338—C339—C342—N314	21.1 (15)
Zn39—N331—C391—C392	174.9 (12)	C338—C339—C340—C341	0 (2)
Zn39—N331—C395—C394	−175.8 (14)	C391—N331—C395—C394	−1 (3)
Zn39—N330—C390—C389	179.7 (13)	C341—N313—C337—C338	2 (2)
Zn39—N330—C386—C387	−175 (2)	C351—C352—C353—C354	−2.7 (18)
Zn37—N324—C372—C371	178.7 (13)	C331—C327—C325—N310	9.0 (19)
Zn37—N324—C368—C369	−178.8 (12)	C331—C327—C325—N309	−171.8 (12)
Zn37—N325—C373—C374	173.3 (19)	C331—C327—C328—C329	−1.5 (19)
Zn37—N325—C377—C376	−177.0 (18)	C323—N307—C319—C320	0 (2)
Zn31^vii—N335—C404—C405	178.9 (13)	C358—C357—C360—N320	1 (2)
Zn31^vii—N335—C408—C407	178.1 (14)	C358—C357—C360—N321	−177.3 (14)
Zn31—N301—C305—C304	−167 (2)	C358—C357—C356—C355	0 (2)
Zn31—N301—C301—C302	171 (2)	C380—N328—C379—N327	−1.4 (19)
Zn38^viii—N336—C401—C400	−168.4 (12)	C380—N328—C379—C381	174.2 (12)
Zn38^viii—N336—C402—C403	173.3 (18)	C380—N326—C378—N327	−6 (2)
Zn38—N329—C384—C385	−172.0 (12)	C380—N326—C378—C375	176.9 (12)
Zn38—N329—C383—C382	174.5 (14)	C380—C388—C389—C390	178.1 (15)
N316—C344—C352—C353	1.5 (14)	C380—C388—C387—C386	−174 (2)
N316—C344—C352—C351	−179.2 (11)	C314—N306—C318—C317	−1.6 (15)
N312—C332—C333—C334	2 (2)	C381—C385—C384—N329	−1 (2)
N312—C336—C335—C334	3 (2)	C381—C382—C383—N329	−4 (3)
N332—C396—C393—C392	3.5 (19)	C369—C370—C362—N320	7 (2)
N332—C396—C393—C394	−177.8 (13)	C369—C370—C362—N322	−168.4 (13)
N332—C397—C399—C400	0 (2)	C369—C370—C371—C372	2 (2)
N332—C397—C399—C403	−177.8 (15)	C340—C339—C342—N315	23.7 (16)
N315—C344—C352—C353	177.9 (10)	C340—C339—C342—N314	−157.1 (12)
N315—C344—C352—C351	−2.7 (15)	C340—C339—C338—C337	−2 (2)
N321—C361—C363—C364	8 (2)	C392—C393—C394—C395	1 (2)
N321—C361—C363—C367	−169.4 (16)	C390—N330—C386—C387	10 (4)
N313—C341—C340—C339	3 (2)	C365—N323—C366—C367	−1 (3)
N333—C396—C393—C392	−177.2 (13)	C394—C393—C392—C391	−2 (2)
N333—C396—C393—C394	1 (2)	C404—N335—C408—C407	−3 (3)
N305—C312—C313—C309	3 (2)	C8A—C7A—C4A—C5A	−109.7 (14)
N323—C366—C367—C363	0 (4)	C8A—C7A—C4A—C3A	72.1 (16)
N334—C397—C399—C400	179.0 (13)	C8A—C7A—C12A—O3A	179.5 (15)
N334—C397—C399—C403	1 (2)	C8A—C7A—C12A—C11A	2 (3)
N317—C354—C353—C352	1.7 (18)	C8A—C9A—C10A—C11A	−5 (3)
C321—C320—C319—N307	−1 (2)	C385—C381—C382—C383	2 (3)
C321—C322—C323—N307	−3 (2)	C408—N335—C404—C405	0 (3)
O2A—C8A—C9A—C10A	−177.4 (17)	C337—N313—C341—C340	−4 (2)
N311—C329—C328—C327	1 (2)	C330—N311—C329—C328	1 (2)
N324—C368—C369—C370	−1 (2)	C389—C388—C380—N328	−15 (2)
N302—C306—C303—C304	−15 (2)	C389—C388—C380—N326	168.5 (14)
N302—C306—C303—C302	163.0 (17)	C389—C388—C387—C386	3 (3)
N322—C361—C363—C364	−175.1 (13)	C401—N336—C402—C403	4 (3)
N322—C361—C363—C367	8 (2)	C407—C406—C398—N333	−177.3 (13)
C345—C346—C347—N318	2.5 (16)	C407—C406—C398—N334	6.5 (19)
C345—C349—C348—N318	−3 (2)	C407—C406—C405—C404	−2 (2)
C344—N316—C343—N314	−1.6 (13)	C12A—C7A—C4A—C5A	73.6 (16)
C344—N316—C343—C345	−177.4 (8)	C12A—C7A—C4A—C3A	−104.6 (14)
C344—N315—C342—N314	1.6 (14)	C12A—C7A—C8A—O2A	178.8 (15)
C344—N315—C342—C339	−179.3 (9)	C12A—C7A—C8A—C9A	−3 (3)
C344—C352—C353—C354	176.6 (10)	C12A—C11A—C10A—C9A	3 (3)
C344—C352—C351—C350	−175.8 (13)	C405—C406—C398—N333	7 (2)
C327—C331—C330—N311	3 (3)	C405—C406—C398—N334	−169.4 (13)
N319—C359—C358—C357	−2 (3)	C405—C406—C407—C408	−1 (2)
C324—N309—C325—N310	−3.0 (17)	C14A—O2A—C8A—C7A	173.5 (15)
C324—N309—C325—C327	177.9 (10)	C14A—O2A—C8A—C9A	−4 (2)
C324—N308—C326—N310	−2.8 (17)	C395—N331—C391—C392	0 (2)
C324—N308—C326—C334	173.3 (10)	C376—C375—C378—N327	−162.4 (17)
C324—C321—C320—C319	−177.6 (12)	C376—C375—C378—N326	15 (2)
C324—C321—C322—C323	179.5 (12)	C376—C375—C374—C373	−4 (3)
N328—C379—C381—C385	−9 (2)	C366—N323—C365—C364	1 (2)
N328—C379—C381—C382	168.5 (15)	C305—N301—C301—C302	0 (4)
C317—C316—C308—N304	9.4 (14)	C384—N329—C383—C382	3 (3)
C317—C316—C308—N302	−168.0 (9)	C304—C303—C302—C301	−2 (3)
C317—C316—C315—C314	−1.8 (17)	C403—C399—C400—C401	0 (2)
N327—C379—C381—C385	167.0 (14)	C367—C363—C364—C365	−3 (2)
N327—C379—C381—C382	−16 (2)	C373—N325—C377—C376	1 (3)
C346—C345—C343—N316	−177.9 (9)	C377—N325—C373—C374	−5 (3)
C346—C345—C343—N314	6.1 (14)	C302—C303—C304—C305	5 (3)
C346—C345—C349—C348	−0.2 (17)	C10A—C11A—C12A—O3A	−179.2 (17)
C326—N310—C325—N309	1.4 (17)	C10A—C11A—C12A—C7A	−1 (3)
C326—N310—C325—C327	−179.5 (11)	C13A—C5A—C6A—C1A	−177.9 (12)
C326—N308—C324—N309	0.9 (17)	C350—N317—C354—C353	−1.4 (19)
C326—N308—C324—C321	−176.8 (10)	C301—N301—C305—C304	3 (4)
C326—C334—C333—C332	−177.3 (11)	C382—C381—C385—C384	0 (2)
C326—C334—C335—C336	175.2 (13)	C374—C375—C378—N327	16 (2)
C339—C338—C337—N313	1 (2)	C374—C375—C378—N326	−166.4 (16)
C325—N310—C326—N308	1.7 (18)	C374—C375—C376—C377	0 (3)
C325—N310—C326—C334	−174.3 (10)	C402—N336—C401—C400	0 (3)
C325—N309—C324—N308	1.8 (17)	C310—C309—C307—N304	−150.5 (15)
C325—N309—C324—C321	179.5 (10)	C310—C309—C307—N303	27.7 (19)
C325—C327—C328—C329	178.1 (11)	C310—C309—C313—C312	−5 (2)
C325—C327—C331—C330	179.9 (14)	C383—N329—C384—C385	−1 (3)
N325—C373—C374—C375	6 (4)	C311—N305—C312—C313	1 (2)
C316—C317—C318—N306	0.9 (16)	C387—C388—C380—N328	162.0 (18)
C316—C315—C314—N306	1 (2)	C387—C388—C380—N326	−14 (2)
N331—C391—C392—C393	1 (2)	C387—C388—C389—C390	1 (3)
C308—N304—C307—N303	−2.3 (17)	C386—N330—C390—C389	−6 (3)
C308—N304—C307—C309	175.8 (10)	Zn32—N306—C318—C317	172.8 (8)
C308—N302—C306—N303	−1.5 (17)	Zn32—N306—C314—C315	−174.1 (10)
C308—N302—C306—C303	178.4 (11)	Zn32—N307—C319—C320	−175.1 (11)
C308—C316—C315—C314	172.8 (11)	Zn32—N307—C323—C322	177.2 (11)
C343—N316—C344—N315	−0.3 (14)	Zn46—N318—C347—C346	169.2 (8)
C343—N316—C344—C352	175.9 (8)	Zn46—N318—C348—C349	−169.2 (11)
C343—N314—C342—N315	−3.2 (14)	Zn46—N319—C355—C356	167.8 (12)
C343—N314—C342—C339	177.7 (9)	Zn46—N319—C359—C358	−168.5 (13)
C343—C345—C346—C347	−179.1 (9)	Zn33^v—N305—C312—C313	176.0 (11)
C343—C345—C349—C348	179.2 (11)	Zn33^v—N305—C311—C310	−177.5 (17)
N330—C390—C389—C388	0 (3)	Zn33—N311—C329—C328	174.7 (11)
N303—C306—C303—C304	164.6 (17)	Zn33—N311—C330—C331	−177.3 (14)
N303—C306—C303—C302	−17 (2)	Zn41^vii—N335—C404—C405	178.7 (13)
C320—C321—C324—N309	−3.0 (16)	Zn41^vii—N335—C408—C407	178.5 (14)
C320—C321—C324—N308	174.9 (11)	Zn41—N301—C305—C304	−177 (2)
C320—C321—C322—C323	1.0 (19)	Zn41—N301—C301—C302	180 (2)
C370—C371—C372—N324	1 (3)	Zn47—N324—C372—C371	177.8 (13)
C361—N321—C360—N320	−5 (2)	Zn47—N324—C368—C369	−178.0 (12)
C361—N321—C360—C357	173.7 (12)	Zn47—N325—C373—C374	169.9 (18)
C361—N322—C362—N320	−1.9 (19)	Zn47—N325—C377—C376	−174.1 (18)
C361—N322—C362—C370	173.0 (11)	Zn48^viii—N336—C401—C400	179.4 (13)
C361—C363—C364—C365	−179.6 (13)	Zn48^viii—N336—C402—C403	−175.3 (18)
C361—C363—C367—C366	179.2 (17)	Zn48—N329—C384—C385	−171.3 (12)
C332—N312—C336—C335	0 (2)	Zn48—N329—C383—C382	175.6 (16)
C333—C334—C326—N310	−170.7 (11)	Zn45^vi—N323—C365—C364	−178.4 (12)
C333—C334—C326—N308	12.9 (17)	Zn45^vi—N323—C366—C367	177.8 (19)
C333—C334—C335—C336	−3 (2)	Zn45—N317—C354—C353	−167.2 (11)
C396—N332—C397—N334	0.0 (19)	Zn45—N317—C350—C351	170.0 (14)
C396—N332—C397—C399	178.7 (11)	Zn44—N312—C332—C333	179.9 (10)
C396—N333—C398—N334	1.9 (19)	Zn44—N312—C336—C335	177.9 (12)
C396—N333—C398—C406	−173.9 (11)	Zn44—N313—C341—C340	176.7 (12)
C396—C393—C392—C391	177.3 (14)	Zn44—N313—C337—C338	−178.4 (12)
C396—C393—C394—C395	−178.2 (15)	Zn49—N331—C391—C392	173.7 (12)
C336—N312—C332—C333	−2 (2)	Zn49—N331—C395—C394	−174.8 (14)
C397—N332—C396—N333	−1.7 (18)	Zn49—N330—C390—C389	−178.5 (13)
C397—N332—C396—C393	177.5 (11)	Zn49—N330—C386—C387	−177 (2)
C397—N334—C398—N333	−3.4 (19)	Zn53^v—N305—C312—C313	−172 (3)
C397—N334—C398—C406	172.6 (11)	Zn53^v—N305—C311—C310	175 (3)
C397—C399—C400—C401	−178.1 (13)	Zn53—N311—C329—C328	−166.0 (18)
C397—C399—C403—C402	−178.0 (19)	Zn53—N311—C330—C331	160 (2)
C347—N318—C348—C349	5.3 (18)	Zn51^vii—N335—C404—C405	173.8 (15)
C342—N315—C344—N316	0.3 (14)	Zn51^vii—N335—C408—C407	−174.7 (15)
C342—N315—C344—C352	−175.8 (8)	Zn51—N301—C305—C304	177 (3)
C342—N314—C343—N316	3.2 (14)	Zn51—N301—C301—C302	−172 (2)
C342—N314—C343—C345	179.0 (8)	Zn57—N324—C372—C371	−172.4 (16)
C342—C339—C338—C337	179.8 (12)	Zn57—N324—C368—C369	175.0 (15)
C342—C339—C340—C341	178.5 (12)	Zn57—N325—C373—C374	180 (2)
N335—C404—C405—C406	2 (3)	Zn57—N325—C377—C376	175 (2)
N335—C408—C407—C406	3 (3)	Zn58^viii—N336—C401—C400	154.2 (18)
C362—N320—C360—N321	3 (2)	Zn58^viii—N336—C402—C403	−143 (2)
C362—N320—C360—C357	−175.0 (12)	Zn58—N329—C384—C385	−162 (3)
C362—N322—C361—N321	0 (2)	Zn58—N329—C383—C382	175 (2)
C362—N322—C361—C363	−176.8 (11)	Zn54—N312—C332—C333	165.1 (17)
C362—C370—C371—C372	−179.1 (14)	Zn54—N312—C336—C335	−159 (2)
C362—C370—C369—C368	179.0 (13)	Zn54—N313—C341—C340	166.1 (19)
C352—C351—C350—N317	−3 (2)	Zn54—N313—C337—C338	−171.8 (17)
C309—C310—C311—N305	0 (3)	Zn55^vi—N323—C365—C364	−166.8 (13)
C318—N306—C314—C315	0.5 (18)	Zn55^vi—N323—C366—C367	167 (2)
C318—C317—C316—C308	−173.8 (9)	Zn55—N317—C354—C353	−175.3 (16)
C318—C317—C316—C315	0.8 (15)	Zn55—N317—C350—C351	175.5 (18)
C357—C356—C355—N319	2 (2)	C15A—O3A—C12A—C7A	177.2 (18)
C360—N320—C362—N322	0 (2)	C15A—O3A—C12A—C11A	−5 (3)
C360—N320—C362—C370	−174.6 (12)	C3B—C4B—C5B—C6B	−4 (5)
C360—N321—C361—N322	3 (2)	C3B—C4B—C5B—C13B	−178 (3)
C360—N321—C361—C363	179.6 (12)	C3B—C4B—C7B—C8B	−77 (3)
C360—C357—C356—C355	−178.8 (14)	C3B—C4B—C7B—C12B	104 (3)
C360—C357—C358—C359	178.6 (14)	C4B—C3B—C2B—C1B	0 (2)
C319—N307—C323—C322	3 (2)	C4B—C5B—C6B—C1B	6 (5)
C329—N311—C330—C331	−4 (2)	C4B—C5B—C13B—O1B	−76 (7)
C399—C400—C401—N336	−2 (2)	C4B—C7B—C8B—C9B	−176 (3)
C399—C403—C402—N336	−6 (4)	C4B—C7B—C8B—O2B	0 (4)
C379—N328—C380—N326	1 (2)	C4B—C7B—C12B—C11B	176 (3)
C379—N328—C380—C388	−174.7 (12)	C4B—C7B—C12B—O3B	−1 (4)
C379—N327—C378—N326	6 (2)	C5B—C4B—C7B—C8B	103 (3)
C379—N327—C378—C375	−176.9 (12)	C5B—C4B—C7B—C12B	−75 (4)
C379—C381—C385—C384	177.9 (14)	C5B—C6B—C1B—C2B	−5 (4)
C379—C381—C382—C383	−175.5 (16)	C6B—C5B—C13B—O1B	110 (7)
C312—N305—C311—C310	−2 (3)	C6B—C1B—C2B—C3B	2 (2)
C312—N305—C311—Zn53^v	−176 (2)	C9B—C10B—C11B—C12B	0 (3)
C363—C364—C365—N323	1 (2)	C10B—C9B—C8B—C7B	−2 (3)
C354—N317—C350—C351	2 (2)	C10B—C9B—C8B—O2B	−178 (3)
C322—C321—C324—N309	178.5 (11)	C10B—C11B—C12B—C7B	1 (4)
C322—C321—C324—N308	−3.6 (16)	C10B—C11B—C12B—O3B	178 (3)
C322—C321—C320—C319	0.9 (19)	C2B—C3B—C4B—C5B	0 (4)
C328—C327—C325—N310	−170.5 (12)	C2B—C3B—C4B—C7B	−179 (2)
C328—C327—C325—N309	8.6 (17)	C7B—C4B—C5B—C6B	176 (3)
C328—C327—C331—C330	−1 (2)	C7B—C4B—C5B—C13B	2 (5)
C307—N304—C308—N302	3.2 (15)	C8B—C9B—C10B—C11B	1 (2)
C307—N304—C308—C316	−174.0 (9)	C8B—C7B—C12B—C11B	−2 (3)
C307—N303—C306—N302	2.4 (18)	C8B—C7B—C12B—O3B	−179 (3)
C307—N303—C306—C303	−177.5 (12)	C810—C811—C812—C807	56 (4)
C307—C309—C313—C312	−178.1 (12)	C811—C810—C809—C808	56 (4)
C307—C309—C310—C311	177.1 (17)	C811—C812—C807—C808	−54 (4)
C313—C309—C307—N304	22.6 (18)	C812—C807—C808—C809	55 (4)
C313—C309—C307—N303	−159.1 (12)	C807—C808—C809—C810	−55 (4)
C313—C309—C310—C311	4 (3)	C809—C810—C811—C812	−58 (4)
C364—C363—C367—C366	2 (3)	C1—C8—C9—C10	55 (5)
C335—C334—C326—N310	11.6 (17)	C8—C1—C12—C11	59 (5)
C335—C334—C326—N308	−164.8 (12)	C8—C9—C10—C11	−53 (5)
C335—C334—C333—C332	0.4 (17)	C9—C10—C11—C12	53 (5)
C400—C399—C403—C402	4 (3)	C10—C11—C12—C1	−57 (5)
C393—C394—C395—N331	1 (3)	C12—C1—C8—C9	−58 (5)
C349—C345—C346—C347	0.3 (15)	C813—C818—C817—C816	58 (4)
C349—C345—C343—N316	2.8 (14)	C818—C813—C814—C815	59 (3)
C349—C345—C343—N314	−173.3 (10)	C818—C817—C816—C815	−55 (4)
C353—C352—C351—C350	4 (2)	C817—C816—C815—C814	55 (4)
C398—N333—C396—N332	0.8 (18)	C816—C815—C814—C813	−58 (4)
C398—N333—C396—C393	−178.3 (11)	C814—C813—C818—C817	−59 (4)
C398—N334—C397—N332	2.3 (19)	C823—C822—C821—C820	48 (5)
C398—N334—C397—C399	−176.4 (11)	C822—C823—C824—C819	38 (7)
C398—C406—C407—C408	−176.9 (15)	C822—C821—C820—C819	−51 (5)
C398—C406—C405—C404	174.2 (13)	C821—C820—C819—C824	47 (6)
C371—C370—C362—N320	−172.3 (13)	C820—C819—C824—C823	−40 (6)
C371—C370—C362—N322	12.5 (19)	C824—C823—C822—C821	−42 (6)
C371—C370—C369—C368	−2 (2)	C12B—C7B—C8B—C9B	3 (3)
C7A—C4A—C5A—C6A	−178.1 (10)	C12B—C7B—C8B—O2B	179 (2)
C7A—C4A—C5A—C13A	−0.1 (13)	C13B—C5B—C6B—C1B	−179 (4)
C7A—C4A—C3A—C2A	178.2 (9)	C830—C829—C828—C827	60 (3)
C7A—C8A—C9A—C10A	5 (3)	C829—C830—C825—C826	55 (4)
C356—C357—C360—N320	179.6 (14)	C829—C828—C827—C826	−61 (4)
C356—C357—C360—N321	1 (2)	C828—C827—C826—C825	57 (4)
C356—C357—C358—C359	0 (2)	C827—C826—C825—C830	−55 (4)
C4A—C7A—C8A—O2A	2 (2)	C825—C830—C829—C828	−58 (3)
C4A—C7A—C8A—C9A	−179.9 (15)	C14B—O2B—C8B—C9B	−10 (8)
C4A—C7A—C12A—O3A	−4 (2)	C14B—O2B—C8B—C7B	173 (7)
C4A—C7A—C12A—C11A	178.3 (14)	C15B—O3B—C12B—C7B	−179 (5)
C4A—C5A—C6A—C1A	0.0	C15B—O3B—C12B—C11B	5 (7)
C4A—C5A—C13A—O1A	159.8 (10)	C804—C803—C802—C801	59 (4)
C5A—C4A—C3A—C2A	0.0	C803—C804—C805—C806	56 (4)
C5A—C6A—C1A—C2A	0.0	C803—C802—C801—C806	−54 (4)
C6A—C5A—C13A—O1A	−22.3 (19)	C802—C801—C806—C805	51 (4)
C6A—C1A—C2A—C3A	0.0	C801—C806—C805—C804	−51 (4)
C1A—C2A—C3A—C4A	0.0	C805—C804—C803—C802	−60 (4)
C3A—C4A—C5A—C6A	0.0	C831—C836—C835—C834	54 (5)
C3A—C4A—C5A—C13A	178.0 (12)	C836—C831—C832—C833	50 (5)
C306—N302—C308—N304	−1.5 (16)	C836—C835—C834—C833	−57 (4)
C306—N302—C308—C316	175.7 (9)	C835—C834—C833—C832	56 (4)
C306—N303—C307—N304	−0.4 (19)	C834—C833—C832—C831	−53 (5)
C306—N303—C307—C309	−178.4 (11)	C832—C831—C836—C835	−50 (5)
C306—C303—C304—C305	−176 (2)

Symmetry codes: (i) x, −y, z+1/2; (ii) x, −y+1, z+1/2; (iii) x+1/2, −y+3/2, z+1/2; (iv) x, −y+2, z+1/2; (v) x, −y, z−1/2; (vi) x, −y+1, z−1/2; (vii) x−1/2, −y+3/2, z−1/2; (viii) x, −y+2, z−1/2.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (25_5_96c)

Crystal data

C36H24I6N12Zn3·0.232(C15H16O3)	F(000) = 6098
Mr = 1638.96	Dx = 1.388 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.4145 (9) Å	Cell parameters from 13212 reflections
b = 14.9918 (3) Å	θ = 2.6–66.4°
c = 31.0574 (10) Å	µ = 19.83 mm^−1
β = 101.744 (2)°	T = 100 K
V = 15688.2 (7) Å^3	Block, light yellow
Z = 8	0.29 × 0.09 × 0.06 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	14239 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	9307 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.042
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −41→40
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −17→12
Tmin = 0.100, Tmax = 0.439	l = −36→37
64404 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.093	H-atom parameters constrained
wR(F^2) = 0.331	w = 1/[σ^2(Fo^2) + (0.2248P)^2 + 20.130P] where P = (Fo^2 + 2Fc^2)/3
S = 1.06	(Δ/σ)max = 0.001
14239 reflections	Δρmax = 1.07 e Å^−3
753 parameters	Δρmin = −1.24 e Å^−3
287 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I303	0.47743 (11)	0.3567 (2)	0.36833 (12)	0.0971 (7)	0.493
I304	0.38452 (12)	0.2604 (3)	0.43845 (18)	0.1017 (8)	0.493
I301	0.1069 (2)	0.2603 (4)	0.0974 (3)	0.135 (2)	0.4733
I302	0.1481 (2)	0.4094 (5)	−0.01484 (17)	0.1323 (12)	0.4733
I305	0.37114 (10)	0.83590 (16)	0.80569 (6)	0.1145 (9)	0.531 (6)
I306	0.26519 (11)	0.76786 (12)	0.70543 (10)	0.1125 (9)	0.531 (6)
Zn32	0.4202 (2)	0.3816 (5)	0.4055 (3)	0.0848 (18)	0.493
Zn31	0.1254 (3)	0.4013 (6)	0.0601 (3)	0.101 (3)	0.4733
Zn33	0.32776 (14)	0.8578 (2)	0.73064 (12)	0.0896 (10)	0.531 (6)
N309	0.4774 (2)	0.7694 (5)	0.5271 (3)	0.085 (2)
N308	0.4253 (3)	0.7213 (5)	0.5606 (3)	0.090 (2)
N304	0.3192 (2)	0.6813 (4)	0.2494 (3)	0.084 (2)
N303	0.2655 (2)	0.6894 (5)	0.1891 (3)	0.089 (2)
N302	0.2801 (2)	0.5538 (4)	0.2273 (2)	0.084 (2)
N310	0.4603 (3)	0.8556 (5)	0.5847 (3)	0.095 (2)
N307	0.4330 (3)	0.4815 (6)	0.4529 (3)	0.103 (3)
N311	0.5782 (3)	1.0145 (6)	0.5533 (3)	0.098 (2)
N306	0.3791 (3)	0.4518 (5)	0.3593 (3)	0.105 (3)
N301	0.1691 (3)	0.4706 (6)	0.1040 (3)	0.103 (3)
C324	0.4488 (3)	0.7129 (6)	0.5324 (4)	0.083 (3)
C325	0.4824 (3)	0.8390 (6)	0.5552 (4)	0.082 (2)
C307	0.2957 (3)	0.7261 (5)	0.2176 (3)	0.083 (2)
N305	0.3123 (3)	1.0077 (6)	0.2201 (5)	0.124 (4)
C321	0.4446 (3)	0.6296 (6)	0.5049 (3)	0.086 (3)
C320	0.4707 (3)	0.6123 (6)	0.4778 (3)	0.091 (3)
H320	0.491945	0.651891	0.476535	0.109*
C303	0.2275 (3)	0.5591 (6)	0.1634 (3)	0.092 (3)
C315	0.3255 (3)	0.4563 (6)	0.2978 (4)	0.095 (3)
H315	0.303987	0.426963	0.279117	0.114*
C308	0.3090 (3)	0.5951 (5)	0.2532 (3)	0.083 (2)
C316	0.3340 (3)	0.5445 (6)	0.2908 (3)	0.087 (3)
C326	0.4318 (3)	0.7954 (7)	0.5864 (4)	0.093 (3)
C327	0.5147 (3)	0.9005 (6)	0.5533 (4)	0.092 (3)
C319	0.4651 (3)	0.5345 (7)	0.4523 (3)	0.093 (3)
H319	0.483545	0.518764	0.434597	0.112*
N312	0.3578 (4)	0.8391 (7)	0.6794 (5)	0.131 (4)
C306	0.2595 (3)	0.6035 (6)	0.1941 (3)	0.089 (3)
C314	0.3484 (3)	0.4124 (6)	0.3321 (3)	0.092 (3)
H314	0.342506	0.351847	0.337150	0.110*
C309	0.3009 (3)	0.8235 (5)	0.2165 (3)	0.087 (2)
C305	0.1899 (3)	0.4278 (7)	0.1389 (4)	0.107 (4)
H305	0.184236	0.366500	0.142424	0.128*
C329	0.5658 (4)	0.9598 (8)	0.5204 (5)	0.106 (3)
H329	0.578195	0.962126	0.495714	0.128*
C328	0.5352 (3)	0.8982 (7)	0.5200 (4)	0.096 (3)
H328	0.528810	0.855636	0.496957	0.115*
C304	0.2188 (3)	0.4664 (6)	0.1698 (4)	0.103 (3)
H304	0.232524	0.433762	0.194517	0.123*
C302	0.2055 (4)	0.6002 (6)	0.1270 (4)	0.114 (4)
H302	0.210579	0.660691	0.120776	0.137*
C301	0.1760 (4)	0.5536 (7)	0.0994 (4)	0.118 (5)
H301	0.159898	0.584757	0.075605	0.142*
C334	0.4068 (4)	0.8110 (7)	0.6194 (5)	0.110 (4)
C310	0.2756 (4)	0.8795 (7)	0.1901 (5)	0.107 (3)
H310	0.253243	0.855679	0.170374	0.129*
C313	0.3334 (4)	0.8619 (7)	0.2444 (5)	0.116 (4)
H313	0.352690	0.824974	0.262149	0.139*
C317	0.3636 (4)	0.5855 (7)	0.3179 (5)	0.136 (6)
H317	0.368772	0.646933	0.314176	0.163*
C311	0.2820 (5)	0.9712 (8)	0.1914 (5)	0.121 (4)
H311	0.264616	1.008651	0.171538	0.146*
C322	0.4141 (4)	0.5768 (8)	0.5061 (5)	0.119 (4)
H322	0.396405	0.589726	0.525117	0.142*
C323	0.4082 (5)	0.4991 (9)	0.4780 (5)	0.123 (4)
H323	0.386124	0.460869	0.478044	0.147*
C312	0.3378 (5)	0.9552 (8)	0.2464 (7)	0.139 (5)
H312	0.359196	0.980907	0.266699	0.166*
C332	0.3471 (5)	0.7846 (16)	0.6465 (7)	0.165 (7)
H332	0.322106	0.756079	0.644441	0.197*
C318	0.3865 (5)	0.5375 (8)	0.3515 (5)	0.155 (7)
H318	0.408319	0.566225	0.369898	0.186*
C335	0.4177 (5)	0.8674 (9)	0.6539 (6)	0.129 (5)
H335	0.442839	0.896134	0.659183	0.154*
C333	0.3685 (4)	0.7628 (10)	0.6135 (7)	0.136 (5)
H333	0.359380	0.722032	0.590248	0.164*
C336	0.3907 (6)	0.8824 (12)	0.6818 (7)	0.153 (7)
H336	0.397131	0.927077	0.703850	0.183*
C431	0.5151 (7)	0.9892 (14)	0.5704 (10)	0.111 (4)	0.378 (14)
H431	0.492842	1.011313	0.580812	0.133*	0.378 (14)
C430	0.5478 (7)	1.0422 (17)	0.5715 (10)	0.111 (4)	0.378 (14)
H430	0.549151	1.099067	0.585251	0.133*	0.378 (14)
I401	0.11555 (17)	0.2575 (3)	0.0854 (2)	0.140 (2)	0.5004
Zn1	0.1289 (3)	0.4076 (6)	0.0550 (3)	0.114 (4)	0.5004
I402	0.1536 (3)	0.4371 (6)	−0.0159 (3)	0.209 (4)	0.5004
I406	0.24611 (14)	0.7831 (2)	0.6744 (3)	0.176 (3)	0.469 (6)
Zn43	0.3116 (2)	0.8531 (3)	0.7077 (3)	0.133 (2)	0.469 (6)
I405	0.35003 (17)	0.8043 (2)	0.7825 (3)	0.180 (3)	0.469 (6)
I403	0.47217 (17)	0.3348 (3)	0.37348 (17)	0.182 (3)	0.4743
Zn2	0.4144 (3)	0.3766 (6)	0.4083 (3)	0.130 (4)	0.4743
I404	0.37170 (18)	0.2750 (3)	0.4446 (2)	0.156 (2)	0.4743
I504	0.3993 (6)	0.2560 (13)	0.4144 (7)	0.080*	0.0326
I503	0.4974 (7)	0.3782 (16)	0.3635 (8)	0.080*	0.0326
Zn52	0.4344 (11)	0.390 (2)	0.3916 (18)	0.080*	0.0326
I501	0.1296 (8)	0.2587 (19)	0.0593 (9)	0.080*	0.0264
I502	0.1588 (11)	0.423 (2)	0.0025 (13)	0.080*	0.0264
Zn51	0.134 (2)	0.427 (5)	0.032 (2)	0.080*	0.0264
O3A	0.5193 (9)	0.813 (2)	0.3925 (9)	0.103 (7)	0.2324
C7A	0.4765 (7)	0.7889 (11)	0.3243 (7)	0.100 (8)	0.2324
C12A	0.5021 (8)	0.7538 (16)	0.3609 (7)	0.106 (8)	0.2324
C11A	0.5091 (8)	0.6625 (18)	0.3639 (8)	0.105 (9)	0.2324
H11A	0.526569	0.638511	0.388869	0.126*	0.2324
C10A	0.4906 (9)	0.6063 (12)	0.3303 (10)	0.121 (10)	0.2324
H10A	0.495408	0.543873	0.332374	0.145*	0.2324
C9A	0.4651 (9)	0.6414 (12)	0.2938 (9)	0.114 (10)	0.2324
H9A	0.452413	0.602958	0.270836	0.137*	0.2324
C8A	0.4580 (7)	0.7327 (13)	0.2908 (7)	0.099 (8)	0.2324
C330	0.5655 (6)	0.9989 (14)	0.5909 (6)	0.111 (4)	0.622 (14)
H330	0.578908	1.027230	0.617105	0.133*	0.622 (14)
C331	0.5344 (6)	0.9446 (13)	0.5931 (6)	0.111 (4)	0.622 (14)
H331	0.525890	0.935829	0.619968	0.133*	0.622 (14)
O2A	0.4325 (9)	0.768 (2)	0.2555 (9)	0.106 (7)	0.2324
C15A	0.5530 (16)	0.784 (4)	0.4242 (14)	0.123 (16)	0.2324
H15A	0.555312	0.819301	0.451024	0.185*	0.2324
H15B	0.577004	0.790875	0.412178	0.185*	0.2324
H15C	0.549694	0.720628	0.431067	0.185*	0.2324
C14A	0.4187 (14)	0.708 (3)	0.2198 (13)	0.116 (14)	0.2324
H14A	0.407270	0.742815	0.193429	0.174*	0.2324
H14B	0.398333	0.668849	0.227279	0.174*	0.2324
H14C	0.440893	0.672439	0.214070	0.174*	0.2324
C1A	0.4510 (9)	1.0673 (12)	0.3137 (10)	0.103 (9)	0.2324
H1A	0.444933	1.129128	0.312306	0.124*	0.2324
C2A	0.4221 (6)	1.0054 (18)	0.3184 (9)	0.102 (8)	0.2324
H2A	0.396187	1.025009	0.320125	0.122*	0.2324
C3A	0.4310 (8)	0.9149 (16)	0.3205 (10)	0.100 (8)	0.2324
H3A	0.411198	0.872614	0.323641	0.119*	0.2324
C4A	0.4689 (9)	0.8862 (12)	0.3179 (9)	0.096 (7)	0.2324
C5A	0.4978 (7)	0.9481 (18)	0.3133 (9)	0.100 (8)	0.2324
C6A	0.4889 (8)	1.0386 (16)	0.3112 (10)	0.110 (9)	0.2324
H6A	0.508692	1.080850	0.308003	0.132*	0.2324
O1A	0.5593 (9)	0.978 (2)	0.2921 (9)	0.100 (8)	0.2324
H1AA	0.549305	0.987259	0.265457	0.150*	0.2324
C13A	0.5375 (9)	0.910 (2)	0.3085 (14)	0.107 (9)	0.2324
H13A	0.552399	0.889156	0.337342	0.129*	0.2324
H13B	0.533436	0.859028	0.287935	0.129*	0.2324

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I303	0.1043 (12)	0.0703 (14)	0.1060 (13)	0.0189 (9)	−0.0034 (10)	0.0036 (10)
I304	0.1163 (14)	0.0542 (14)	0.1167 (18)	−0.0062 (9)	−0.0185 (11)	−0.0015 (12)
I301	0.141 (3)	0.075 (2)	0.171 (4)	−0.022 (2)	−0.0140 (19)	−0.0082 (19)
I302	0.0917 (16)	0.172 (4)	0.125 (2)	−0.0053 (18)	0.0037 (14)	−0.067 (2)
I305	0.172 (2)	0.0673 (10)	0.0964 (11)	0.0217 (10)	0.0101 (10)	0.0066 (7)
I306	0.1335 (18)	0.0643 (8)	0.1488 (18)	−0.0254 (9)	0.0498 (14)	−0.0259 (9)
Zn32	0.089 (2)	0.057 (3)	0.088 (4)	0.0019 (19)	−0.029 (2)	0.005 (2)
Zn31	0.077 (3)	0.065 (3)	0.147 (6)	0.004 (2)	−0.010 (3)	−0.022 (3)
Zn33	0.119 (3)	0.0501 (14)	0.098 (2)	0.0016 (14)	0.0177 (17)	−0.0039 (12)
N309	0.079 (4)	0.062 (4)	0.095 (5)	−0.003 (3)	−0.026 (4)	−0.009 (3)
N308	0.080 (5)	0.064 (4)	0.111 (6)	0.000 (3)	−0.014 (4)	−0.003 (4)
N304	0.086 (4)	0.040 (3)	0.110 (5)	0.003 (3)	−0.016 (4)	−0.012 (3)
N303	0.097 (5)	0.052 (4)	0.101 (5)	0.004 (3)	−0.020 (4)	0.005 (3)
N302	0.091 (4)	0.049 (3)	0.090 (4)	0.010 (3)	−0.030 (4)	−0.002 (3)
N310	0.085 (5)	0.057 (4)	0.132 (7)	−0.003 (3)	−0.003 (5)	−0.009 (4)
N307	0.110 (6)	0.072 (5)	0.103 (6)	−0.004 (4)	−0.034 (5)	−0.011 (4)
N311	0.087 (5)	0.086 (6)	0.105 (6)	−0.012 (4)	−0.017 (4)	0.000 (5)
N306	0.108 (6)	0.053 (4)	0.121 (6)	0.012 (4)	−0.051 (5)	−0.016 (4)
N301	0.093 (5)	0.068 (5)	0.121 (6)	0.018 (4)	−0.040 (4)	−0.013 (4)
C324	0.066 (5)	0.062 (5)	0.104 (6)	−0.002 (4)	−0.021 (5)	−0.008 (4)
C325	0.070 (5)	0.061 (5)	0.104 (6)	0.002 (4)	−0.008 (5)	−0.010 (4)
C307	0.088 (5)	0.047 (4)	0.097 (6)	0.002 (4)	−0.020 (4)	−0.005 (4)
N305	0.115 (7)	0.050 (5)	0.217 (13)	−0.006 (5)	0.055 (8)	−0.009 (6)
C321	0.083 (5)	0.064 (5)	0.093 (6)	−0.004 (4)	−0.027 (5)	−0.006 (4)
C320	0.091 (6)	0.064 (5)	0.097 (6)	−0.004 (4)	−0.029 (5)	−0.012 (4)
C303	0.105 (6)	0.048 (4)	0.098 (6)	0.005 (4)	−0.038 (5)	−0.010 (4)
C315	0.099 (6)	0.059 (5)	0.108 (7)	−0.004 (4)	−0.023 (5)	−0.007 (4)
C308	0.084 (5)	0.051 (4)	0.097 (6)	0.009 (4)	−0.021 (4)	−0.002 (4)
C316	0.088 (5)	0.048 (4)	0.106 (6)	0.021 (4)	−0.025 (5)	−0.002 (4)
C326	0.071 (5)	0.074 (6)	0.127 (8)	−0.003 (4)	0.006 (5)	−0.006 (5)
C327	0.080 (5)	0.059 (5)	0.120 (8)	−0.005 (4)	−0.017 (5)	−0.007 (5)
C319	0.099 (6)	0.069 (5)	0.092 (6)	0.008 (5)	−0.027 (5)	0.001 (4)
N312	0.154 (11)	0.068 (6)	0.185 (13)	−0.003 (6)	0.065 (10)	0.001 (7)
C306	0.087 (5)	0.054 (5)	0.106 (7)	0.009 (4)	−0.025 (5)	−0.009 (4)
C314	0.099 (6)	0.063 (5)	0.092 (6)	0.003 (4)	−0.032 (5)	−0.005 (4)
C309	0.101 (6)	0.042 (4)	0.111 (7)	0.009 (4)	0.006 (5)	0.000 (4)
C305	0.087 (6)	0.063 (5)	0.143 (9)	0.010 (4)	−0.041 (6)	−0.001 (5)
C329	0.102 (7)	0.080 (7)	0.134 (9)	−0.018 (5)	0.016 (7)	−0.013 (6)
C328	0.093 (6)	0.078 (6)	0.113 (8)	−0.023 (5)	0.011 (6)	−0.019 (5)
C304	0.106 (7)	0.049 (4)	0.124 (8)	0.002 (4)	−0.045 (6)	0.006 (4)
C302	0.128 (8)	0.049 (5)	0.129 (8)	0.019 (5)	−0.058 (7)	0.000 (5)
C301	0.124 (8)	0.057 (5)	0.136 (9)	0.017 (5)	−0.064 (7)	−0.011 (5)
C334	0.101 (7)	0.062 (6)	0.164 (11)	0.002 (5)	0.019 (7)	0.002 (6)
C310	0.110 (7)	0.058 (5)	0.141 (9)	−0.001 (5)	−0.005 (7)	0.005 (6)
C313	0.118 (8)	0.054 (5)	0.158 (11)	−0.015 (5)	−0.012 (7)	−0.021 (6)
C317	0.153 (10)	0.054 (5)	0.152 (10)	−0.005 (6)	−0.080 (9)	0.011 (6)
C311	0.155 (12)	0.059 (6)	0.142 (10)	0.034 (7)	0.011 (9)	0.014 (6)
C322	0.138 (10)	0.076 (7)	0.142 (10)	−0.034 (7)	0.028 (8)	−0.024 (7)
C323	0.136 (10)	0.085 (8)	0.144 (11)	−0.032 (7)	0.020 (9)	−0.032 (7)
C312	0.131 (10)	0.049 (6)	0.229 (17)	−0.006 (6)	0.022 (11)	−0.015 (8)
C332	0.106 (10)	0.20 (2)	0.199 (18)	−0.045 (12)	0.066 (12)	0.009 (16)
C318	0.160 (11)	0.073 (7)	0.173 (12)	−0.012 (7)	−0.105 (10)	0.004 (7)
C335	0.134 (11)	0.089 (8)	0.167 (13)	−0.008 (7)	0.040 (10)	−0.021 (8)
C333	0.108 (9)	0.102 (9)	0.204 (16)	−0.025 (7)	0.044 (11)	−0.022 (10)
C336	0.178 (16)	0.104 (10)	0.200 (17)	−0.010 (11)	0.092 (15)	−0.019 (11)
C431	0.122 (9)	0.096 (8)	0.096 (8)	−0.033 (6)	−0.024 (6)	−0.018 (6)
C430	0.122 (9)	0.096 (8)	0.096 (8)	−0.033 (6)	−0.024 (6)	−0.018 (6)
I401	0.119 (3)	0.0690 (16)	0.188 (4)	0.0088 (16)	−0.071 (3)	−0.037 (2)
Zn1	0.089 (5)	0.098 (6)	0.122 (5)	0.033 (3)	−0.056 (4)	−0.044 (4)
I402	0.120 (3)	0.237 (8)	0.246 (6)	0.021 (4)	−0.017 (3)	−0.141 (5)
I406	0.138 (2)	0.0812 (15)	0.331 (8)	−0.0504 (16)	0.099 (4)	−0.080 (3)
Zn43	0.136 (4)	0.0425 (16)	0.231 (7)	−0.009 (2)	0.065 (5)	−0.010 (3)
I405	0.223 (4)	0.0765 (17)	0.257 (6)	0.025 (2)	0.084 (4)	0.061 (3)
I403	0.208 (5)	0.103 (3)	0.173 (4)	0.071 (3)	−0.111 (3)	−0.050 (2)
Zn2	0.171 (8)	0.058 (4)	0.115 (6)	0.013 (4)	−0.079 (5)	−0.016 (3)
I404	0.232 (6)	0.0610 (17)	0.139 (3)	−0.023 (3)	−0.048 (4)	−0.0091 (15)
O3A	0.14 (2)	0.090 (15)	0.078 (13)	0.014 (14)	0.024 (11)	0.008 (11)
C7A	0.123 (18)	0.085 (11)	0.096 (14)	−0.017 (11)	0.032 (12)	−0.013 (10)
C12A	0.13 (2)	0.095 (13)	0.096 (14)	−0.005 (14)	0.037 (13)	−0.001 (11)
C11A	0.12 (2)	0.094 (14)	0.12 (2)	−0.005 (15)	0.060 (16)	0.002 (12)
C10A	0.13 (2)	0.096 (17)	0.15 (2)	−0.012 (17)	0.060 (18)	−0.013 (14)
C9A	0.12 (2)	0.101 (14)	0.13 (2)	−0.023 (15)	0.052 (17)	−0.035 (15)
C8A	0.100 (17)	0.101 (14)	0.108 (15)	−0.025 (13)	0.048 (11)	−0.030 (12)
C330	0.122 (9)	0.096 (8)	0.096 (8)	−0.033 (6)	−0.024 (6)	−0.018 (6)
C331	0.122 (9)	0.096 (8)	0.096 (8)	−0.033 (6)	−0.024 (6)	−0.018 (6)
O2A	0.095 (16)	0.115 (18)	0.112 (15)	−0.028 (13)	0.031 (11)	−0.046 (13)
C15A	0.17 (3)	0.10 (3)	0.09 (2)	0.06 (3)	0.010 (18)	−0.02 (2)
C14A	0.11 (3)	0.12 (3)	0.13 (2)	−0.05 (3)	0.039 (19)	−0.05 (2)
C1A	0.112 (16)	0.079 (15)	0.10 (2)	−0.011 (11)	−0.022 (16)	−0.014 (16)
C2A	0.108 (17)	0.095 (15)	0.085 (19)	−0.012 (12)	−0.019 (16)	−0.002 (16)
C3A	0.105 (15)	0.095 (14)	0.09 (2)	−0.018 (12)	0.002 (16)	−0.010 (16)
C4A	0.126 (15)	0.086 (11)	0.080 (17)	−0.014 (10)	0.031 (15)	−0.018 (12)
C5A	0.116 (15)	0.089 (13)	0.096 (19)	−0.010 (11)	0.026 (15)	−0.004 (15)
C6A	0.110 (16)	0.087 (13)	0.12 (2)	−0.015 (13)	−0.017 (17)	−0.013 (17)
O1A	0.102 (16)	0.12 (2)	0.070 (14)	−0.036 (15)	−0.001 (12)	−0.017 (13)
C13A	0.129 (18)	0.11 (2)	0.09 (2)	−0.002 (14)	0.042 (19)	0.003 (18)

Geometric parameters (Å, º)

I303—Zn32	2.506 (7)	C304—H304	0.9500
I304—Zn32	2.524 (8)	C302—H302	0.9500
I301—Zn31	2.553 (9)	C302—C301	1.378 (14)
I302—Zn31	2.606 (9)	C301—H301	0.9500
I305—Zn33	2.521 (4)	C334—C335	1.36 (2)
I306—Zn33	2.526 (4)	C334—C333	1.481 (18)
Zn32—N307	2.083 (12)	C310—H310	0.9500
Zn32—N306	2.082 (11)	C310—C311	1.391 (16)
Zn31—N311^i	2.034 (14)	C313—H313	0.9500
Zn31—N301	2.088 (11)	C313—C312	1.407 (15)
Zn33—N305^ii	2.093 (10)	C317—H317	0.9500
Zn33—N312	2.086 (14)	C317—C318	1.374 (15)
N309—C324	1.334 (13)	C311—H311	0.9500
N309—C325	1.348 (12)	C322—H322	0.9500
N308—C324	1.312 (14)	C322—C323	1.445 (17)
N308—C326	1.361 (13)	C323—H323	0.9500
N304—C307	1.325 (11)	C312—H312	0.9500
N304—C308	1.351 (11)	C332—H332	0.9500
N303—C307	1.337 (11)	C332—C333	1.42 (2)
N303—C306	1.319 (12)	C318—H318	0.9500
N302—C308	1.302 (11)	C335—H335	0.9500
N302—C306	1.351 (11)	C335—C336	1.41 (2)
N310—C325	1.328 (14)	C333—H333	0.9500
N310—C326	1.340 (13)	C336—H336	0.9500
N307—C319	1.363 (15)	C431—H431	0.9500
N307—C323	1.297 (17)	C431—C430	1.37 (3)
N307—Zn2	2.107 (12)	C430—H430	0.9500
N307—Zn52	2.36 (5)	I401—Zn1	2.517 (9)
N311—C329	1.314 (14)	Zn1—I402	2.556 (11)
N311—C430	1.35 (2)	I406—Zn43	2.508 (6)
N311—Zn1^iii	2.090 (13)	Zn43—I405	2.537 (9)
N311—Zn51^iii	2.31 (7)	I403—Zn2	2.527 (10)
N311—C330	1.35 (2)	Zn2—I404	2.534 (10)
N306—C314	1.347 (11)	I504—Zn52	2.516 (18)
N306—C318	1.342 (15)	I503—Zn52	2.502 (18)
N306—Zn2	2.077 (12)	I501—Zn51	2.67 (7)
N306—Zn52	2.17 (5)	I502—Zn51	1.39 (8)
N301—C305	1.337 (13)	O3A—C12A	1.36 (3)
N301—C301	1.280 (14)	O3A—C15A	1.43 (2)
N301—Zn1	2.064 (10)	C7A—C12A	1.3900
N301—Zn51	2.41 (7)	C7A—C8A	1.3900
C324—C321	1.505 (13)	C7A—C4A	1.489 (17)
C325—C327	1.455 (14)	C12A—C11A	1.3900
C307—C309	1.472 (11)	C11A—H11A	0.9500
N305—C311	1.344 (19)	C11A—C10A	1.3900
N305—C312	1.33 (2)	C10A—H10A	0.9500
N305—Zn43^iv	2.122 (10)	C10A—C9A	1.3900
C321—C320	1.373 (16)	C9A—H9A	0.9500
C321—C322	1.321 (16)	C9A—C8A	1.3900
C320—H320	0.9500	C8A—O2A	1.36 (3)
C320—C319	1.402 (14)	C330—H330	0.9500
C303—C306	1.461 (12)	C330—C331	1.36 (2)
C303—C304	1.445 (13)	C331—H331	0.9500
C303—C302	1.374 (13)	O2A—C14A	1.427 (18)
C315—H315	0.9500	C15A—H15A	0.9800
C315—C316	1.382 (14)	C15A—H15B	0.9800
C315—C314	1.359 (13)	C15A—H15C	0.9800
C308—C316	1.506 (11)	C14A—H14A	0.9800
C316—C317	1.332 (14)	C14A—H14B	0.9800
C326—C334	1.483 (18)	C14A—H14C	0.9800
C327—C328	1.366 (16)	C1A—H1A	0.9500
C327—C431	1.43 (2)	C1A—C2A	1.3900
C327—C331	1.443 (17)	C1A—C6A	1.3900
C319—H319	0.9500	C2A—H2A	0.9500
N312—C332	1.30 (2)	C2A—C3A	1.3900
N312—C336	1.29 (2)	C3A—H3A	0.9500
N312—Zn43	1.979 (14)	C3A—C4A	1.3900
C314—H314	0.9500	C4A—C5A	1.3900
C309—C310	1.358 (15)	C5A—C6A	1.3900
C309—C313	1.392 (15)	C5A—C13A	1.514 (19)
C305—H305	0.9500	C6A—H6A	0.9500
C305—C304	1.361 (13)	O1A—H1AA	0.8400
C329—H329	0.9500	O1A—C13A	1.415 (19)
C329—C328	1.398 (15)	C13A—H13A	0.9900
C328—H328	0.9500	C13A—H13B	0.9900
I303—Zn32—I304	124.9 (3)	C333—C334—C326	117.7 (12)
N307—Zn32—I303	111.0 (5)	C309—C310—H310	119.5
N307—Zn32—I304	106.4 (5)	C309—C310—C311	121.0 (12)
N306—Zn32—I303	104.2 (5)	C311—C310—H310	119.5
N306—Zn32—I304	109.0 (4)	C309—C313—H313	119.9
N306—Zn32—N307	98.0 (5)	C309—C313—C312	120.2 (13)
I301—Zn31—I302	126.3 (5)	C312—C313—H313	119.9
N311^i—Zn31—I301	107.1 (5)	C316—C317—H317	120.5
N311^i—Zn31—I302	104.9 (5)	C316—C317—C318	119.0 (10)
N311^i—Zn31—N301	102.2 (5)	C318—C317—H317	120.5
N301—Zn31—I301	109.2 (5)	N305—C311—C310	121.2 (11)
N301—Zn31—I302	104.6 (5)	N305—C311—H311	119.4
I305—Zn33—I306	121.60 (16)	C310—C311—H311	119.4
N305^ii—Zn33—I305	110.7 (5)	C321—C322—H322	120.6
N305^ii—Zn33—I306	107.0 (4)	C321—C322—C323	118.8 (13)
N312—Zn33—I305	113.4 (5)	C323—C322—H322	120.6
N312—Zn33—I306	102.4 (4)	N307—C323—C322	119.8 (12)
N312—Zn33—N305^ii	99.2 (5)	N307—C323—H323	120.1
C324—N309—C325	114.3 (9)	C322—C323—H323	120.1
C324—N308—C326	114.9 (9)	N305—C312—C313	120.8 (14)
C307—N304—C308	114.9 (7)	N305—C312—H312	119.6
C306—N303—C307	116.3 (7)	C313—C312—H312	119.6
C308—N302—C306	115.2 (8)	N312—C332—H332	116.4
C325—N310—C326	115.2 (9)	N312—C332—C333	127.2 (14)
C319—N307—Zn32	117.7 (9)	C333—C332—H332	116.4
C319—N307—Zn2	124.3 (10)	N306—C318—C317	122.5 (10)
C319—N307—Zn52	100.3 (10)	N306—C318—H318	118.7
C323—N307—Zn32	120.1 (8)	C317—C318—H318	118.7
C323—N307—C319	121.7 (10)	C334—C335—H335	120.8
C323—N307—Zn2	113.5 (8)	C334—C335—C336	118.4 (15)
C323—N307—Zn52	136.9 (11)	C336—C335—H335	120.8
Zn31^iii—N311—Zn1^iii	6.4 (5)	C334—C333—H333	123.8
Zn31^iii—N311—Zn51^iii	26.7 (15)	C332—C333—C334	112.4 (15)
C329—N311—Zn31^iii	126.5 (9)	C332—C333—H333	123.8
C329—N311—C430	111.2 (13)	N312—C336—C335	124.1 (17)
C329—N311—Zn1^iii	120.4 (9)	N312—C336—H336	117.9
C329—N311—Zn51^iii	99.9 (17)	C335—C336—H336	117.9
C329—N311—C330	117.0 (11)	C327—C431—H431	120.2
C430—N311—Zn31^iii	115.8 (11)	C430—C431—C327	120 (2)
C430—N311—Zn1^iii	122.0 (11)	C430—C431—H431	120.2
C430—N311—Zn51^iii	139 (2)	N311—C430—C431	121 (2)
Zn1^iii—N311—Zn51^iii	20.5 (15)	N311—C430—H430	119.6
C330—N311—Zn51^iii	138.1 (18)	C431—C430—H430	119.6
C314—N306—Zn32	123.1 (7)	N311^i—Zn1—I401	107.1 (5)
C314—N306—Zn2	119.2 (7)	N311^i—Zn1—I402	107.7 (5)
C314—N306—Zn52	127.1 (12)	N301—Zn1—N311^i	101.1 (5)
C318—N306—Zn32	118.8 (7)	N301—Zn1—I401	106.2 (4)
C318—N306—C314	117.4 (8)	N301—Zn1—I402	105.4 (5)
C318—N306—Zn2	123.3 (7)	I401—Zn1—I402	126.5 (5)
C318—N306—Zn52	108.3 (11)	N305^ii—Zn43—I406	117.5 (4)
C305—N301—Zn31	119.1 (8)	N305^ii—Zn43—I405	97.6 (5)
C305—N301—Zn1	123.1 (8)	N312—Zn43—N305^ii	101.8 (5)
C305—N301—Zn51	135.1 (17)	N312—Zn43—I406	120.6 (6)
C301—N301—Zn31	122.4 (7)	N312—Zn43—I405	93.5 (5)
C301—N301—C305	118.5 (9)	I406—Zn43—I405	120.9 (2)
C301—N301—Zn1	118.3 (7)	N307—Zn2—I403	107.8 (5)
C301—N301—Zn51	103.5 (17)	N307—Zn2—I404	106.4 (5)
N309—C324—C321	116.4 (10)	N306—Zn2—N307	97.4 (5)
N308—C324—N309	126.2 (9)	N306—Zn2—I403	102.4 (5)
N308—C324—C321	117.3 (9)	N306—Zn2—I404	110.3 (5)
N309—C325—C327	117.5 (10)	I403—Zn2—I404	128.3 (4)
N310—C325—N309	125.1 (9)	N307—Zn52—I504	98.5 (14)
N310—C325—C327	117.4 (9)	N307—Zn52—I503	118.9 (19)
N304—C307—N303	124.0 (8)	N306—Zn52—N307	87.8 (12)
N304—C307—C309	117.4 (8)	N306—Zn52—I504	92.6 (13)
N303—C307—C309	118.4 (8)	N306—Zn52—I503	128 (2)
Zn33^iv—N305—Zn43^iv	22.2 (2)	I503—Zn52—I504	122.9 (16)
C311—N305—Zn33^iv	129.4 (10)	N311^i—Zn51—N301	86 (2)
C311—N305—Zn43^iv	107.5 (10)	N311^i—Zn51—I501	100 (2)
C312—N305—Zn33^iv	111.2 (10)	N301—Zn51—I501	91 (2)
C312—N305—C311	119.5 (10)	I502—Zn51—N301	111 (4)
C312—N305—Zn43^iv	132.7 (10)	I502—Zn51—I501	104 (4)
C320—C321—C324	120.4 (9)	C12A—O3A—C15A	118 (3)
C322—C321—C324	117.8 (11)	C12A—C7A—C8A	120.0
C322—C321—C320	121.8 (10)	C12A—C7A—C4A	123.1 (17)
C321—C320—H320	120.9	C8A—C7A—C4A	116.9 (16)
C321—C320—C319	118.2 (10)	O3A—C12A—C7A	117 (2)
C319—C320—H320	120.9	O3A—C12A—C11A	123 (2)
C304—C303—C306	119.9 (8)	C11A—C12A—C7A	120.0
C302—C303—C306	123.3 (9)	C12A—C11A—H11A	120.0
C302—C303—C304	116.7 (8)	C10A—C11A—C12A	120.0
C316—C315—H315	120.7	C10A—C11A—H11A	120.0
C314—C315—H315	120.7	C11A—C10A—H10A	120.0
C314—C315—C316	118.6 (9)	C11A—C10A—C9A	120.0
N304—C308—C316	115.6 (7)	C9A—C10A—H10A	120.0
N302—C308—N304	125.4 (8)	C10A—C9A—H9A	120.0
N302—C308—C316	118.9 (8)	C8A—C9A—C10A	120.0
C315—C316—C308	119.8 (8)	C8A—C9A—H9A	120.0
C317—C316—C315	120.1 (9)	C9A—C8A—C7A	120.0
C317—C316—C308	120.0 (9)	O2A—C8A—C7A	119.5 (8)
N308—C326—C334	119.0 (9)	O2A—C8A—C9A	120.5 (8)
N310—C326—N308	124.1 (11)	N311—C330—H330	118.5
N310—C326—C334	116.9 (10)	N311—C330—C331	123.0 (14)
C328—C327—C325	122.2 (9)	C331—C330—H330	118.5
C328—C327—C431	109.7 (14)	C327—C331—H331	121.0
C328—C327—C331	115.8 (12)	C330—C331—C327	118.1 (17)
C431—C327—C325	121.5 (14)	C330—C331—H331	121.0
C331—C327—C325	119.0 (13)	C8A—O2A—C14A	116 (3)
N307—C319—C320	119.7 (12)	O3A—C15A—H15A	109.5
N307—C319—H319	120.2	O3A—C15A—H15B	109.5
C320—C319—H319	120.2	O3A—C15A—H15C	109.5
C332—N312—Zn33	125.3 (11)	H15A—C15A—H15B	109.5
C332—N312—Zn43	106.9 (12)	H15A—C15A—H15C	109.5
C336—N312—Zn33	116.8 (13)	H15B—C15A—H15C	109.5
C336—N312—C332	117.8 (14)	O2A—C14A—H14A	109.5
C336—N312—Zn43	133.9 (12)	O2A—C14A—H14B	109.5
N303—C306—N302	123.9 (8)	O2A—C14A—H14C	109.5
N303—C306—C303	119.0 (8)	H14A—C14A—H14B	109.5
N302—C306—C303	117.1 (8)	H14A—C14A—H14C	109.5
N306—C314—C315	122.3 (9)	H14B—C14A—H14C	109.5
N306—C314—H314	118.8	C2A—C1A—H1A	120.0
C315—C314—H314	118.8	C2A—C1A—C6A	120.0
C310—C309—C307	124.1 (9)	C6A—C1A—H1A	120.0
C310—C309—C313	117.1 (9)	C1A—C2A—H2A	120.0
C313—C309—C307	118.8 (9)	C3A—C2A—C1A	120.0
N301—C305—H305	117.9	C3A—C2A—H2A	120.0
N301—C305—C304	124.2 (10)	C2A—C3A—H3A	120.0
C304—C305—H305	117.9	C2A—C3A—C4A	120.0
N311—C329—H329	118.5	C4A—C3A—H3A	120.0
N311—C329—C328	123.0 (12)	C3A—C4A—C7A	116 (2)
C328—C329—H329	118.5	C5A—C4A—C7A	124 (2)
C327—C328—C329	118.7 (10)	C5A—C4A—C3A	120.0
C327—C328—H328	120.6	C4A—C5A—C6A	120.0
C329—C328—H328	120.6	C4A—C5A—C13A	116 (2)
C303—C304—H304	121.5	C6A—C5A—C13A	124 (2)
C305—C304—C303	117.0 (9)	C1A—C6A—H6A	120.0
C305—C304—H304	121.5	C5A—C6A—C1A	120.0
C303—C302—H302	120.1	C5A—C6A—H6A	120.0
C303—C302—C301	119.9 (10)	C13A—O1A—H1AA	109.5
C301—C302—H302	120.1	C5A—C13A—H13A	109.9
N301—C301—C302	123.6 (9)	C5A—C13A—H13B	109.9
N301—C301—H301	118.2	O1A—C13A—C5A	109 (3)
C302—C301—H301	118.2	O1A—C13A—H13A	109.9
C335—C334—C326	122.6 (11)	O1A—C13A—H13B	109.9
C335—C334—C333	119.7 (14)	H13A—C13A—H13B	108.3
Zn32—N307—C319—C320	168.2 (7)	C314—C315—C316—C317	−1.7 (19)
Zn32—N307—C323—C322	−170.6 (11)	C309—C310—C311—N305	−3 (2)
Zn32—N306—C314—C315	−169.7 (10)	C309—C313—C312—N305	−4 (2)
Zn32—N306—C318—C317	171.8 (15)	C305—N301—C301—C302	4 (2)
Zn31^iii—N311—C329—C328	174.1 (10)	C329—N311—C430—C431	29 (3)
Zn31^iii—N311—C430—C431	−178 (2)	C329—N311—C330—C331	−16 (3)
Zn31—N301—C305—C304	−179.4 (11)	C328—C327—C431—C430	−34 (3)
Zn31—N301—C301—C302	−177.7 (12)	C328—C327—C331—C330	17 (2)
Zn33^iv—N305—C311—C310	−177.9 (10)	C304—C303—C306—N303	−176.2 (11)
Zn33^iv—N305—C312—C313	−179.0 (12)	C304—C303—C306—N302	1.0 (17)
Zn33—N312—C332—C333	−173.0 (15)	C304—C303—C302—C301	2 (2)
Zn33—N312—C336—C335	169.9 (15)	C302—C303—C306—N303	6.2 (18)
N309—C324—C321—C320	3.5 (12)	C302—C303—C306—N302	−176.6 (12)
N309—C324—C321—C322	−173.4 (10)	C302—C303—C304—C305	0.8 (19)
N309—C325—C327—C328	11.1 (14)	C301—N301—C305—C304	−1 (2)
N309—C325—C327—C431	159.5 (16)	C334—C335—C336—N312	7 (3)
N309—C325—C327—C331	−148.3 (13)	C310—C309—C313—C312	4 (2)
N308—C324—C321—C320	−173.5 (8)	C313—C309—C310—C311	−0.7 (19)
N308—C324—C321—C322	9.6 (14)	C311—N305—C312—C313	0 (2)
N308—C326—C334—C335	161.3 (12)	C322—C321—C320—C319	−2.1 (15)
N308—C326—C334—C333	−19.2 (16)	C323—N307—C319—C320	−3.0 (16)
N304—C307—C309—C310	−170.3 (11)	C312—N305—C311—C310	3 (2)
N304—C307—C309—C313	9.2 (16)	C332—N312—C336—C335	−7 (3)
N304—C308—C316—C315	178.8 (10)	C318—N306—C314—C315	0 (2)
N304—C308—C316—C317	1.0 (17)	C335—C334—C333—C332	1 (2)
N303—C307—C309—C310	4.0 (17)	C333—C334—C335—C336	−4 (2)
N303—C307—C309—C313	−176.6 (11)	C336—N312—C332—C333	3 (3)
N302—C308—C316—C315	−1.6 (16)	C431—C327—C328—C329	28.1 (18)
N302—C308—C316—C317	−179.5 (13)	C430—N311—C329—C328	−36 (2)
N310—C325—C327—C328	−169.4 (10)	Zn1^iii—N311—C329—C328	171.9 (10)
N310—C325—C327—C431	−21.1 (19)	Zn1^iii—N311—C330—C331	−175.7 (18)
N310—C325—C327—C331	31.1 (16)	Zn1—N301—C305—C304	174.7 (11)
N310—C326—C334—C335	−17.3 (18)	Zn1—N301—C301—C302	−171.9 (12)
N310—C326—C334—C333	162.2 (12)	Zn43^iv—N305—C311—C310	177.3 (12)
N311—C329—C328—C327	6.4 (19)	Zn43^iv—N305—C312—C313	−172.2 (11)
N311—C330—C331—C327	1 (3)	Zn43—N312—C332—C333	171.8 (18)
N301—C305—C304—C303	−1 (2)	Zn43—N312—C336—C335	−171.3 (14)
C324—N309—C325—N310	−3.2 (13)	Zn2—N307—C319—C320	168.3 (7)
C324—N309—C325—C327	176.2 (8)	Zn2—N307—C323—C322	−171.7 (12)
C324—N308—C326—N310	−1.6 (14)	Zn2—N306—C314—C315	−176.2 (10)
C324—N308—C326—C334	180.0 (9)	Zn2—N306—C318—C317	177.7 (15)
C324—C321—C320—C319	−178.9 (8)	Zn52—N307—C319—C320	166.6 (13)
C324—C321—C322—C323	176.6 (12)	Zn52—N307—C323—C322	−164.4 (18)
C325—N309—C324—N308	2.3 (13)	Zn52—N306—C314—C315	−146.3 (15)
C325—N309—C324—C321	−174.4 (7)	Zn52—N306—C318—C317	154 (2)
C325—N310—C326—N308	0.7 (15)	Zn51^iii—N311—C329—C328	172 (2)
C325—N310—C326—C334	179.2 (9)	Zn51—N301—C305—C304	155 (3)
C325—C327—C328—C329	179.7 (11)	Zn51—N301—C301—C302	−159 (2)
C325—C327—C431—C430	174 (2)	O3A—C12A—C11A—C10A	−180 (3)
C325—C327—C331—C330	177.5 (17)	C7A—C12A—C11A—C10A	0.0
C307—N304—C308—N302	3.7 (16)	C7A—C8A—O2A—C14A	172 (3)
C307—N304—C308—C316	−176.8 (9)	C7A—C4A—C5A—C6A	−174 (3)
C307—N303—C306—N302	4.2 (17)	C7A—C4A—C5A—C13A	9 (3)
C307—N303—C306—C303	−178.8 (10)	C12A—C7A—C8A—C9A	0.0
C307—C309—C310—C311	178.8 (12)	C12A—C7A—C8A—O2A	179 (2)
C307—C309—C313—C312	−175.6 (13)	C12A—C7A—C4A—C3A	−111.5 (18)
C321—C320—C319—N307	3.8 (13)	C12A—C7A—C4A—C5A	63 (3)
C321—C322—C323—N307	1 (2)	C12A—C11A—C10A—C9A	0.0
C320—C321—C322—C323	−0.3 (19)	C11A—C10A—C9A—C8A	0.0
C303—C302—C301—N301	−5 (2)	C10A—C9A—C8A—C7A	0.0
C315—C316—C317—C318	3 (2)	C10A—C9A—C8A—O2A	−179 (2)
C308—N304—C307—N303	−4.2 (15)	C9A—C8A—O2A—C14A	−9 (3)
C308—N304—C307—C309	169.7 (9)	C8A—C7A—C12A—O3A	180 (2)
C308—N302—C306—N303	−4.7 (16)	C8A—C7A—C12A—C11A	0.0
C308—N302—C306—C303	178.3 (10)	C8A—C7A—C4A—C3A	71 (2)
C308—C316—C317—C318	−178.9 (15)	C8A—C7A—C4A—C5A	−114 (2)
C316—C315—C314—N306	−0.2 (18)	C330—N311—C329—C328	12 (2)
C316—C317—C318—N306	−3 (3)	C331—C327—C328—C329	−20.2 (18)
C326—N308—C324—N309	−0.1 (13)	C15A—O3A—C12A—C7A	−164 (4)
C326—N308—C324—C321	176.6 (8)	C15A—O3A—C12A—C11A	16 (4)
C326—N310—C325—N309	1.8 (14)	C1A—C2A—C3A—C4A	0.0
C326—N310—C325—C327	−177.6 (9)	C2A—C1A—C6A—C5A	0.0
C326—C334—C335—C336	175.8 (14)	C2A—C3A—C4A—C7A	175 (2)
C326—C334—C333—C332	−178.8 (14)	C2A—C3A—C4A—C5A	0.0
C327—C431—C430—N311	6 (4)	C3A—C4A—C5A—C6A	0.0
C319—N307—C323—C322	1 (2)	C3A—C4A—C5A—C13A	−177 (2)
N312—C332—C333—C334	0 (3)	C4A—C7A—C12A—O3A	2 (3)
C306—N303—C307—N304	0.5 (16)	C4A—C7A—C12A—C11A	−177 (3)
C306—N303—C307—C309	−173.3 (10)	C4A—C7A—C8A—C9A	178 (2)
C306—N302—C308—N304	0.4 (16)	C4A—C7A—C8A—O2A	−4 (3)
C306—N302—C308—C316	−179.1 (9)	C4A—C5A—C6A—C1A	0.0
C306—C303—C304—C305	−176.9 (12)	C4A—C5A—C13A—O1A	164 (3)
C306—C303—C302—C301	179.4 (13)	C6A—C1A—C2A—C3A	0.0
C314—N306—C318—C317	1 (3)	C6A—C5A—C13A—O1A	−13 (4)
C314—C315—C316—C308	−179.6 (11)	C13A—C5A—C6A—C1A	177 (2)

Symmetry codes: (i) x−1/2, −y+3/2, z−1/2; (ii) x, −y+2, z+1/2; (iii) x+1/2, −y+3/2, z+1/2; (iv) x, −y+2, z−1/2.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (25_10_24a)

Crystal data

C108H72I18N36Zn9·0.455(C15H16O3)·0.195(C6H12)	F(000) = 18116
Mr = 4874.19	Dx = 1.358 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 77.629 (3) Å	Cell parameters from 12005 reflections
b = 15.0298 (4) Å	θ = 3.4–61.0°
c = 41.5537 (14) Å	µ = 19.57 mm^−1
β = 100.445 (3)°	T = 100 K
V = 47679 (3) Å^3	Block, light yellow
Z = 8	0.18 × 0.08 × 0.05 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	43357 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	21095 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.099
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.3°
profile data from ω–scans	h = −93→90
Absorption correction: gaussian CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Numerical absorption correction based on gaussian integration over a multifaceted crystal model Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −14→18
Tmin = 0.115, Tmax = 0.516	l = −50→47
190484 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.161	H-atom parameters constrained
wR(F^2) = 0.527	w = 1/[σ^2(Fo^2) + (0.3013P)^2 + 1201.150P] where P = (Fo^2 + 2Fc^2)/3
S = 1.02	(Δ/σ)max = 0.006
43357 reflections	Δρmax = 2.34 e Å^−3
2024 parameters	Δρmin = −1.90 e Å^−3
494 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). Solvent molecules were determined to have a low occupancy, these were modelled isotropic to prevent over-expansion of thermal ellipsoids. During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I410	0.45265 (9)	0.8904 (7)	0.78539 (19)	0.109 (4)	0.4598
I414	0.58824 (8)	0.4957 (4)	0.76078 (19)	0.0846 (15)	0.4741
I307	0.41983 (15)	0.9902 (4)	0.44352 (14)	0.224 (6)	0.55
I311	0.43980 (3)	0.03898 (13)	0.55295 (6)	0.1226 (9)	0.976 (3)
I312	0.44001 (3)	0.04138 (12)	0.65822 (6)	0.1224 (8)	0.976 (3)
I409	0.40054 (19)	0.9798 (8)	0.7308 (3)	0.143 (4)	0.4598
I316	0.62179 (7)	0.3989 (4)	1.10240 (12)	0.0937 (11)	0.62
I308	0.46886 (11)	0.8410 (7)	0.43694 (19)	0.168 (5)	0.55
I315	0.56650 (7)	0.4944 (3)	1.06589 (12)	0.0923 (12)	0.62
I413	0.63772 (15)	0.3282 (11)	0.7636 (3)	0.195 (6)	0.4741
I404	0.30528 (16)	1.3235 (10)	0.1028 (5)	0.150 (3)	0.54 (3)
I403	0.25586 (10)	1.4874 (3)	0.0987 (4)	0.130 (2)	0.54 (3)
I318	0.60212 (5)	−0.4771 (2)	0.90778 (9)	0.0744 (9)	0.507 (3)
I302	0.28419 (7)	1.3912 (4)	0.44663 (14)	0.1302 (18)	0.6636
I301	0.22980 (8)	1.4803 (4)	0.40125 (10)	0.1239 (16)	0.6636
I317	0.60625 (6)	−0.3974 (2)	1.01113 (9)	0.0903 (11)	0.507 (3)
Zn45	0.42298 (19)	0.8613 (9)	0.7526 (3)	0.144 (8)	0.4598
Zn34	0.43712 (14)	0.8471 (6)	0.44327 (18)	0.126 (8)	0.55
Zn38	0.59001 (12)	0.3763 (6)	1.07605 (17)	0.069 (2)	0.62
Zn47	0.60549 (17)	0.3497 (7)	0.76387 (19)	0.134 (10)	0.4741
I405	0.26826 (10)	0.5114 (5)	0.24677 (18)	0.0773 (16)	0.2855
Zn36	0.45148 (5)	0.09850 (19)	0.60944 (9)	0.0958 (10)	0.976 (3)
I406	0.27178 (12)	0.5911 (4)	0.35016 (17)	0.0838 (17)	0.2855
Zn42	0.2735 (2)	1.3414 (8)	0.1055 (3)	0.142 (9)	0.54 (3)
Zn31	0.25385 (13)	1.3665 (5)	0.41416 (19)	0.117 (4)	0.6636
Zn39	0.61542 (12)	−0.3816 (5)	0.95669 (19)	0.070 (2)	0.507 (3)
Zn43	0.28182 (12)	0.6068 (7)	0.2947 (3)	0.056 (3)	0.2855
N321	0.5392 (3)	−0.0335 (11)	0.6270 (3)	0.078 (5)
N320	0.5431 (3)	0.1029 (10)	0.6584 (3)	0.072 (5)
N314	0.4427 (2)	0.5559 (9)	0.5773 (3)	0.067 (4)
N315	0.4357 (2)	0.6898 (9)	0.6037 (3)	0.070 (4)
N311	0.4112 (2)	0.2399 (12)	0.2782 (3)	0.072 (4)
N322	0.5674 (3)	0.0171 (10)	0.6535 (4)	0.082 (5)
N317	0.4262 (3)	0.7851 (10)	0.7135 (3)	0.078 (5)
N310	0.3983 (2)	0.5213 (10)	0.3330 (4)	0.072 (4)
N324	0.5915 (3)	0.2712 (12)	0.7281 (4)	0.077 (5)
N316	0.4414 (2)	0.5587 (9)	0.6341 (3)	0.069 (4)
N319	0.4780 (3)	0.0808 (11)	0.6179 (5)	0.091 (6)
N329	0.5916 (3)	0.3065 (12)	1.0341 (4)	0.098 (6)
N313	0.4357 (3)	0.7815 (10)	0.4860 (4)	0.080 (5)
N326	0.6060 (2)	0.0674 (9)	0.8992 (3)	0.076 (5)
N318	0.4490 (3)	0.2376 (12)	0.6097 (5)	0.089 (5)
N327	0.5997 (3)	0.2029 (10)	0.9216 (4)	0.087 (5)
N333	0.7078 (3)	−0.3900 (13)	1.0001 (5)	0.087 (5)
N303	0.2678 (3)	1.1925 (12)	0.2635 (5)	0.090 (6)
N328	0.6057 (2)	0.0765 (12)	0.9561 (4)	0.084 (5)
N304	0.2753 (3)	1.0583 (11)	0.2416 (5)	0.092 (6)
C361	0.5570 (3)	−0.0383 (14)	0.6347 (4)	0.071 (5)
N323	0.5793 (3)	−0.2723 (13)	0.6007 (4)	0.081 (5)
C352	0.4463 (3)	0.4190 (12)	0.6076 (5)	0.071 (5)
N302	0.2728 (3)	1.0682 (11)	0.2970 (5)	0.086 (5)
C362	0.5594 (3)	0.0890 (13)	0.6639 (4)	0.074 (6)
N325	0.6020 (3)	0.2867 (11)	0.8043 (4)	0.086 (5)
N334	0.7315 (3)	−0.4785 (12)	0.9920 (5)	0.089 (5)
C342	0.4384 (2)	0.6454 (12)	0.5758 (4)	0.061 (4)
C339	0.4381 (3)	0.6930 (11)	0.5461 (4)	0.064 (5)
N335	0.7571 (3)	−0.2370 (14)	1.0706 (5)	0.097 (6)
C379	0.6070 (3)	0.0322 (13)	0.9280 (4)	0.069 (5)
C327	0.3957 (3)	0.3836 (12)	0.3038 (4)	0.065 (5)
C344	0.4438 (2)	0.5197 (13)	0.6069 (4)	0.065 (5)
C363	0.5646 (4)	−0.1242 (13)	0.6244 (4)	0.075 (6)
N336	0.7418 (4)	−0.7662 (13)	0.9375 (6)	0.114 (8)
C387	0.6095 (3)	−0.0654 (14)	0.9331 (5)	0.082 (6)
N308	0.3741 (3)	0.6055 (12)	0.3382 (5)	0.106 (7)
C378	0.6020 (3)	0.1669 (11)	0.9509 (4)	0.066 (5)
C343	0.4375 (3)	0.6476 (11)	0.6302 (4)	0.082 (7)
C369	0.5703 (3)	0.1530 (13)	0.6855 (4)	0.076 (6)
N301	0.2557 (4)	1.2946 (12)	0.3724 (6)	0.120 (8)
N306	0.2803 (3)	0.7446 (14)	0.2820 (8)	0.115 (8)
C350	0.4461 (3)	0.2799 (12)	0.5817 (5)	0.082 (6)
H350	0.444782	0.246733	0.561930	0.098*
C325	0.3879 (3)	0.4664 (12)	0.3150 (5)	0.069 (5)
C377	0.6028 (3)	0.1539 (13)	0.8968 (4)	0.071 (5)
C360	0.5330 (3)	0.0402 (14)	0.6389 (5)	0.082 (6)
N312	0.4224 (3)	0.7694 (11)	0.4092 (4)	0.084 (5)
C337	0.4310 (3)	0.8199 (16)	0.5124 (4)	0.090 (7)
H337	0.426544	0.878896	0.510287	0.108*
N305	0.2704 (3)	1.2779 (11)	0.1476 (6)	0.098 (6)
C365	0.5885 (4)	−0.2157 (13)	0.6186 (5)	0.087 (7)
H365	0.600840	−0.223318	0.622943	0.105*
C367	0.5742 (4)	0.2848 (16)	0.7175 (6)	0.102 (8)
H367	0.568829	0.335232	0.725233	0.122*
N332	0.7036 (3)	−0.5225 (15)	0.9677 (6)	0.106 (7)
N330	0.6130 (3)	−0.2463 (15)	0.9421 (7)	0.102 (6)
C366	0.5811 (4)	−0.1391 (16)	0.6329 (5)	0.103 (9)
H366	0.588253	−0.101429	0.648132	0.123*
C338	0.4323 (3)	0.7792 (14)	0.5417 (4)	0.080 (6)
H338	0.429185	0.810794	0.559563	0.096*
C349	0.4351 (4)	0.6553 (13)	0.6890 (5)	0.091 (7)
H349	0.438780	0.595145	0.691975	0.109*
C357	0.5137 (3)	0.0536 (15)	0.6329 (5)	0.077 (5)
N309	0.3706 (3)	0.4730 (13)	0.3078 (5)	0.094 (6)
C316	0.2783 (3)	0.9247 (16)	0.2735 (6)	0.089 (6)
C354	0.4513 (3)	0.2835 (13)	0.6359 (5)	0.081 (6)
H354	0.454170	0.252975	0.656225	0.097*
C346	0.4280 (4)	0.7831 (13)	0.6564 (4)	0.101 (9)
H346	0.426692	0.812070	0.635746	0.121*
O3A	0.5413 (3)	0.4260 (15)	0.6913 (6)	0.059 (5)	0.4552
C331	0.4123 (3)	0.3649 (14)	0.3140 (5)	0.076 (6)
H331	0.418941	0.401351	0.330281	0.092*
C334	0.4012 (4)	0.6535 (14)	0.3654 (5)	0.086 (7)
C371	0.5994 (4)	0.1964 (15)	0.7155 (6)	0.101 (8)
H371	0.611562	0.184492	0.721629	0.121*
C398	0.7357 (3)	−0.3483 (16)	1.0279 (6)	0.090 (7)
C351	0.4448 (3)	0.3716 (14)	0.5801 (6)	0.083 (6)
H351	0.442795	0.400792	0.559530	0.100*
C326	0.3899 (3)	0.5914 (13)	0.3444 (5)	0.076 (6)
C373	0.5979 (4)	0.2888 (14)	0.8608 (5)	0.096 (7)
H373	0.594768	0.322101	0.878293	0.115*
C372	0.5980 (3)	0.3281 (16)	0.8313 (5)	0.092 (7)
H372	0.595083	0.389533	0.829385	0.110*
C347	0.4245 (4)	0.8269 (14)	0.6837 (5)	0.114 (10)
H347	0.420832	0.887265	0.681772	0.136*
C374	0.6023 (3)	0.1981 (13)	0.8650 (5)	0.081 (6)
C308	0.2758 (4)	1.0231 (15)	0.2717 (8)	0.103 (8)
C368	0.5642 (3)	0.2281 (15)	0.6958 (4)	0.092 (7)
H368	0.552285	0.243280	0.687881	0.110*
C348	0.4311 (4)	0.7029 (14)	0.7158 (4)	0.101 (8)
H348	0.432052	0.673620	0.736275	0.121*
C356	0.5033 (3)	0.0154 (16)	0.6050 (5)	0.085 (6)
H356	0.508578	−0.019693	0.590423	0.102*
C381	0.5938 (4)	0.3035 (16)	0.9788 (5)	0.098 (7)
H381	0.593240	0.336298	0.959040	0.118*
C345	0.4338 (3)	0.6918 (14)	0.6602 (4)	0.078 (6)
C376	0.6058 (4)	0.1986 (15)	0.8096 (5)	0.102 (8)
H376	0.608715	0.165629	0.791814	0.123*
N331	0.6424 (3)	−0.3977 (16)	0.9603 (7)	0.120 (8)
O2A	0.5228 (4)	0.4710 (15)	0.7913 (6)	0.077 (6)	0.4552
C370	0.5882 (4)	0.1407 (16)	0.6936 (5)	0.095 (7)
H370	0.593285	0.092338	0.683877	0.114*
O1A	0.4942 (3)	0.2575 (15)	0.6991 (5)	0.070 (6)	0.4552
H1A	0.489318	0.261610	0.679393	0.105*	0.4552
C310	0.2668 (4)	1.2787 (15)	0.2046 (6)	0.109 (9)
H310	0.263068	1.310042	0.221958	0.131*
C380	0.5975 (3)	0.2177 (13)	0.9781 (4)	0.080 (6)
C384	0.5985 (4)	0.1709 (13)	1.0085 (4)	0.108 (10)
H384	0.601686	0.109968	1.011070	0.130*
C1A	0.5404 (4)	0.1751 (18)	0.7620 (6)	0.055 (5)	0.4552
H1AA	0.542259	0.113658	0.766645	0.066*	0.4552
C329	0.3945 (4)	0.2586 (16)	0.2680 (7)	0.104 (9)
H329	0.387810	0.222696	0.251423	0.124*
C309	0.2724 (3)	1.1914 (14)	0.2080 (6)	0.087 (6)
C394	0.6498 (4)	−0.448 (2)	0.9414 (8)	0.122 (10)
H394	0.642587	−0.469815	0.922061	0.146*
C336	0.4298 (4)	0.7132 (17)	0.3918 (5)	0.111 (9)
H336	0.442173	0.708204	0.394044	0.134*
C396	0.7238 (3)	−0.4074 (17)	1.0047 (7)	0.098 (7)
C330	0.4207 (3)	0.2911 (13)	0.3013 (5)	0.088 (7)
H330	0.432705	0.278856	0.309044	0.106*
C341	0.4424 (4)	0.6970 (13)	0.4905 (5)	0.114 (10)
H341	0.446833	0.669590	0.473154	0.136*
C2A	0.5520 (4)	0.2368 (15)	0.7783 (7)	0.058 (6)	0.4552
H2A	0.561996	0.218891	0.793731	0.069*	0.4552
C389	0.6148 (3)	−0.1912 (18)	0.9664 (7)	0.100 (8)
H389	0.617242	−0.213518	0.988191	0.120*
C402	0.7534 (4)	−0.349 (2)	1.0298 (8)	0.126 (10)
H402	0.758117	−0.384998	1.014784	0.152*
C306	0.2687 (3)	1.1561 (15)	0.2914 (6)	0.085 (6)
C6A	0.5260 (4)	0.2013 (15)	0.7390 (7)	0.060 (6)	0.4552
H6A	0.518150	0.157496	0.728329	0.073*	0.4552
C335	0.4183 (4)	0.6610 (17)	0.3697 (6)	0.116 (10)
H335	0.423701	0.625210	0.355586	0.140*
C307	0.2719 (3)	1.1450 (15)	0.2396 (6)	0.081 (6)
C353	0.4498 (4)	0.3729 (15)	0.6366 (6)	0.095 (7)
H353	0.451224	0.403671	0.656875	0.114*
C392	0.6782 (4)	−0.4328 (19)	0.9741 (8)	0.107 (8)
C358	0.5058 (4)	0.1114 (17)	0.6497 (6)	0.103 (8)
H358	0.512608	0.146741	0.666233	0.123*
C407	0.7517 (5)	−0.7138 (17)	0.9574 (8)	0.121 (11)
H407	0.763920	−0.725717	0.962858	0.145*
C311	0.2668 (4)	1.3194 (16)	0.1736 (7)	0.112 (9)
H311	0.263986	1.380891	0.171520	0.135*
C340	0.4429 (4)	0.6499 (14)	0.5193 (4)	0.100 (8)
H340	0.446439	0.589319	0.520745	0.120*
C405	0.7280 (5)	−0.6135 (18)	0.9637 (8)	0.107 (9)
C302	0.2595 (3)	1.2926 (16)	0.3177 (6)	0.095 (7)
H302	0.260358	1.323290	0.298023	0.114*
C355	0.4862 (4)	0.0287 (18)	0.5993 (5)	0.098 (8)
H355	0.479409	−0.000242	0.581050	0.117*
C5A	0.5229 (4)	0.2910 (15)	0.7313 (7)	0.063 (6)	0.4552
C397	0.7205 (3)	−0.5306 (17)	0.9741 (7)	0.090 (7)
C386	0.6086 (3)	−0.1220 (14)	0.9067 (6)	0.088 (6)
H386	0.606743	−0.099158	0.885054	0.106*
C364	0.5630 (5)	−0.2566 (18)	0.5912 (6)	0.114 (10)
H364	0.556370	−0.293368	0.574901	0.137*
C385	0.6106 (3)	−0.2150 (18)	0.9124 (8)	0.101 (8)
H385	0.610024	−0.254591	0.894456	0.122*
C375	0.6059 (4)	0.1525 (15)	0.8389 (6)	0.100 (8)
H375	0.608298	0.090522	0.840406	0.120*
C382	0.5908 (4)	0.3471 (14)	1.0049 (5)	0.096 (8)
H382	0.588004	0.408641	1.002973	0.115*
C318	0.2788 (3)	0.7758 (15)	0.2522 (6)	0.090 (7)
H318	0.278143	0.737073	0.233976	0.108*
C388	0.6134 (4)	−0.1033 (16)	0.9615 (8)	0.115 (9)
H388	0.615331	−0.065893	0.980209	0.138*
C328	0.3863 (4)	0.3293 (16)	0.2808 (5)	0.100 (8)
H328	0.374168	0.339775	0.273526	0.120*
C3A	0.5486 (3)	0.3266 (16)	0.7711 (6)	0.048 (5)	0.4552
H3A	0.556048	0.370129	0.782893	0.058*	0.4552
C9A	0.5249 (3)	0.6016 (15)	0.7569 (7)	0.064 (6)	0.4552
H9A	0.521138	0.640601	0.772232	0.076*	0.4552
C321	0.3443 (3)	0.5627 (19)	0.3122 (6)	0.096 (7)
C4A	0.5345 (4)	0.3552 (13)	0.7472 (8)	0.062 (6)	0.4552
C313	0.2758 (4)	1.1463 (17)	0.1819 (6)	0.121 (10)
H313	0.278401	1.084527	0.183744	0.145*
C312	0.2754 (5)	1.1906 (15)	0.1515 (8)	0.134 (12)
H312	0.278739	1.159254	0.133658	0.160*
C303	0.2641 (4)	1.2033 (18)	0.3199 (8)	0.119 (11)
N307	0.3089 (3)	0.5926 (18)	0.2998 (9)	0.144 (11)
C395	0.6977 (4)	−0.4485 (18)	0.9817 (7)	0.102 (8)
C7A	0.5319 (4)	0.4535 (13)	0.7408 (6)	0.064 (5)	0.4552
C401	0.7648 (5)	−0.300 (2)	1.0525 (9)	0.145 (13)
H401	0.777148	−0.307720	1.055552	0.174*
C1	0.5545 (4)	−0.1864 (19)	0.6043 (8)	0.120 (10)
H1	0.542082	−0.181384	0.599593	0.144*
C406	0.7444 (5)	−0.635 (2)	0.9719 (7)	0.119 (10)
H406	0.751849	−0.600084	0.987608	0.143*
C8A	0.5265 (3)	0.5110 (16)	0.7635 (5)	0.062 (6)	0.4552
C324	0.3636 (3)	0.5459 (17)	0.3213 (6)	0.093 (7)
C317	0.2781 (4)	0.8701 (17)	0.2482 (7)	0.107 (8)
H317	0.277379	0.894542	0.226952	0.128*
C319	0.3160 (4)	0.541 (3)	0.2767 (11)	0.168 (17)
H319	0.309027	0.521465	0.256856	0.202*
C383	0.5944 (5)	0.2224 (19)	1.0342 (6)	0.144 (13)
H383	0.593466	0.191540	1.053740	0.173*
C315	0.2793 (4)	0.8851 (18)	0.3045 (9)	0.131 (12)
H315	0.278348	0.920089	0.323088	0.157*
C403	0.7251 (4)	−0.739 (2)	0.9268 (9)	0.128 (11)
H403	0.718260	−0.767691	0.908503	0.153*
C359	0.4875 (5)	0.120 (2)	0.6430 (9)	0.132 (12)
H359	0.481971	0.155918	0.657027	0.158*
C314	0.2817 (4)	0.795 (2)	0.3071 (10)	0.145 (13)
H314	0.284426	0.769235	0.328249	0.174*
C11A	0.5341 (4)	0.5788 (17)	0.7053 (7)	0.070 (7)	0.4552
H11A	0.536466	0.601998	0.685224	0.084*	0.4552
C390	0.6524 (4)	−0.360 (2)	0.9841 (14)	0.20 (3)
H390	0.647264	−0.324765	0.998774	0.244*
C304	0.2644 (6)	1.1616 (15)	0.3477 (8)	0.148 (14)
H304	0.268178	1.101513	0.350073	0.178*
C391	0.6704 (4)	−0.368 (2)	0.9897 (10)	0.147 (14)
H391	0.677365	−0.329105	1.004556	0.176*
C301	0.2541 (5)	1.3376 (17)	0.3413 (8)	0.127 (11)
H301	0.249263	1.395703	0.337752	0.152*
C393	0.6675 (4)	−0.475 (2)	0.9467 (9)	0.127 (11)
H393	0.671871	−0.516986	0.933282	0.152*
C10A	0.5289 (4)	0.6349 (17)	0.7281 (7)	0.069 (7)	0.4552
H10A	0.528141	0.697092	0.724032	0.083*	0.4552
C12A	0.5358 (3)	0.4880 (16)	0.7119 (6)	0.057 (5)	0.4552
C404	0.7175 (6)	−0.666 (2)	0.9429 (8)	0.136 (12)
H404	0.705237	−0.656713	0.938636	0.163*
C13A	0.5076 (4)	0.3239 (17)	0.7064 (8)	0.065 (7)	0.4552
H13A	0.502644	0.377880	0.714891	0.078*	0.4552
H13B	0.511738	0.340446	0.685985	0.078*	0.4552
C14A	0.5158 (6)	0.528 (3)	0.8137 (10)	0.090 (11)	0.4552
H14A	0.525127	0.544361	0.831898	0.135*	0.4552
H14B	0.506549	0.495900	0.822297	0.135*	0.4552
H14C	0.510851	0.581533	0.802274	0.135*	0.4552
C323	0.3196 (5)	0.628 (3)	0.3228 (11)	0.18 (2)
H323	0.314607	0.661246	0.338206	0.210*
C305	0.2589 (7)	1.208 (2)	0.3747 (13)	0.22 (2)
H305	0.257460	1.176237	0.393828	0.262*
C322	0.3368 (5)	0.625 (2)	0.3279 (11)	0.175 (19)
H322	0.343627	0.665760	0.342399	0.210*
C320	0.3345 (4)	0.520 (2)	0.2849 (9)	0.136 (12)
H320	0.339730	0.478900	0.272238	0.163*
C499	0.7288 (4)	−0.305 (4)	1.0528 (11)	0.099 (13)	0.53 (4)
H499	0.716790	−0.313068	1.054152	0.119*	0.53 (4)
C333	0.3942 (4)	0.697 (3)	0.3923 (8)	0.091 (10)	0.60 (3)
H333	0.382301	0.689340	0.394549	0.109*	0.60 (3)
I305	0.27167 (7)	0.5301 (4)	0.2288 (2)	0.207 (4)	0.6396
Zn33	0.28242 (16)	0.6035 (7)	0.2825 (3)	0.210 (8)	0.6396
I306	0.27061 (9)	0.5596 (4)	0.3331 (3)	0.251 (5)	0.6396
I418	0.60469 (8)	−0.4624 (5)	0.8888 (3)	0.140 (3)	0.389 (3)
Zn49	0.61570 (16)	−0.3866 (8)	0.9425 (4)	0.130 (7)	0.389 (3)
I417	0.60413 (12)	−0.4384 (8)	0.9921 (4)	0.215 (6)	0.389 (3)
I314	0.59054 (15)	0.4959 (5)	0.7666 (2)	0.171 (5)	0.5259
Zn37	0.60532 (9)	0.3485 (5)	0.76327 (19)	0.077 (5)	0.5259
I313	0.63701 (7)	0.3375 (7)	0.75798 (18)	0.0995 (17)	0.5259
Zn44	0.43730 (10)	0.8485 (6)	0.4441 (2)	0.071 (5)	0.45
I407	0.42132 (8)	0.9955 (4)	0.44556 (15)	0.0916 (19)	0.45
I408	0.46851 (7)	0.8317 (8)	0.4353 (2)	0.123 (4)	0.45
I309	0.39723 (12)	0.9668 (5)	0.73599 (19)	0.1031 (16)	0.5402
Zn35	0.42196 (9)	0.8552 (6)	0.75425 (18)	0.065 (3)	0.5402
I310	0.45168 (11)	0.8936 (6)	0.78569 (12)	0.130 (4)	0.5402
I401	0.2252 (2)	1.4677 (9)	0.3876 (2)	0.169 (6)	0.3045
Zn41	0.2503 (2)	1.3671 (12)	0.4130 (4)	0.157 (13)	0.3045
I402	0.2813 (2)	1.4120 (8)	0.43782 (19)	0.162 (7)	0.3045
I303	0.25613 (11)	1.4889 (4)	0.1124 (4)	0.125 (3)	0.46 (3)
Zn32	0.27168 (13)	1.3413 (8)	0.1042 (3)	0.092 (6)	0.46 (3)
I304	0.30232 (12)	1.3322 (10)	0.0928 (3)	0.110 (3)	0.46 (3)
I505	0.2788 (3)	0.5481 (18)	0.2192 (5)	0.080*	0.0749
I506	0.2772 (3)	0.5325 (18)	0.3294 (5)	0.080*	0.0749
Zn53	0.2859 (9)	0.597 (4)	0.2780 (6)	0.080*	0.0749
I518	0.6098 (2)	−0.4515 (13)	0.8741 (4)	0.080*	0.104 (3)
I517	0.6084 (2)	−0.4486 (15)	0.9819 (4)	0.080*	0.104 (3)
Zn59	0.6195 (5)	−0.395 (3)	0.9319 (5)	0.080*	0.104 (3)
I501	0.2109 (5)	1.443 (3)	0.3634 (11)	0.080*	0.0319
I502	0.2605 (6)	1.456 (3)	0.4324 (10)	0.080*	0.0319
Zn51	0.2377 (4)	1.365 (4)	0.3950 (12)	0.080*	0.0319
C15A	0.5463 (7)	0.461 (3)	0.6624 (11)	0.107 (15)	0.4552
H15A	0.557118	0.495421	0.668253	0.160*	0.4552
H15B	0.536940	0.499994	0.651115	0.160*	0.4552
H15C	0.548127	0.412102	0.647825	0.160*	0.4552
I415	0.56112 (18)	0.4726 (7)	1.0568 (3)	0.144 (5)	0.33
Zn48	0.5869 (2)	0.3694 (15)	1.0753 (4)	0.147 (13)	0.33
I416	0.61683 (18)	0.4036 (12)	1.1084 (3)	0.145 (6)	0.33
I516	0.6185 (4)	0.395 (2)	1.1326 (8)	0.080*	0.05
I515	0.5760 (4)	0.495 (3)	1.0684 (9)	0.080*	0.05
Zn58	0.5979 (9)	0.369 (4)	1.0790 (14)	0.080*	0.05
I412	0.4350 (5)	0.017 (3)	0.6328 (13)	0.080*	0.024 (3)
Zn46	0.4524 (3)	0.1036 (14)	0.5985 (7)	0.080*	0.024 (3)
I411	0.4478 (6)	0.079 (3)	0.5377 (7)	0.080*	0.024 (3)
C332	0.4049 (5)	0.749 (3)	0.4132 (8)	0.098 (10)	0.60 (3)
H332	0.400795	0.772932	0.431521	0.118*	0.60 (3)
C500	0.7391 (4)	−0.251 (3)	1.0753 (11)	0.093 (12)	0.53 (4)
H500	0.734758	−0.223653	1.092916	0.112*	0.53 (4)
C433	0.3958 (6)	0.746 (3)	0.3704 (13)	0.094 (12)	0.40 (3)
H433	0.385265	0.769039	0.357870	0.113*	0.40 (3)
C432	0.4057 (6)	0.799 (3)	0.3925 (12)	0.090 (12)	0.40 (3)
H432	0.401598	0.856046	0.396980	0.108*	0.40 (3)
C399	0.7303 (5)	−0.259 (3)	1.0309 (12)	0.102 (13)	0.47 (4)
H399	0.720712	−0.235114	1.016075	0.123*	0.47 (4)
C400	0.7394 (5)	−0.208 (3)	1.0562 (14)	0.111 (14)	0.47 (4)
H400	0.734354	−0.156275	1.063780	0.133*	0.47 (4)
C803	0.4789 (7)	0.750 (6)	0.6521 (14)	0.080*	0.1953
H80A	0.474145	0.775981	0.670614	0.096*	0.1953
H80B	0.473708	0.690315	0.647553	0.096*	0.1953
C802	0.4989 (8)	0.742 (6)	0.6618 (12)	0.080*	0.1953
H80C	0.503896	0.800147	0.669418	0.096*	0.1953
H80D	0.501731	0.699109	0.680183	0.096*	0.1953
C801	0.5074 (7)	0.710 (5)	0.6332 (16)	0.080*	0.1953
H80E	0.503855	0.647310	0.627834	0.096*	0.1953
H80F	0.520294	0.711076	0.639892	0.096*	0.1953
C806	0.5019 (7)	0.768 (5)	0.6029 (14)	0.080*	0.1953
H80G	0.506822	0.743303	0.584407	0.096*	0.1953
H80H	0.506761	0.828789	0.607410	0.096*	0.1953
C805	0.4819 (8)	0.774 (6)	0.5932 (12)	0.080*	0.1953
H80I	0.477097	0.713915	0.586915	0.096*	0.1953
H80J	0.478733	0.813515	0.574052	0.096*	0.1953
C804	0.4737 (8)	0.809 (5)	0.6217 (16)	0.080*	0.1953
H80K	0.460786	0.810541	0.615229	0.096*	0.1953
H80L	0.477772	0.871047	0.626946	0.096*	0.1953

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I410	0.108 (4)	0.097 (6)	0.130 (6)	−0.035 (4)	0.038 (4)	−0.064 (4)
I414	0.138 (3)	0.054 (3)	0.068 (3)	−0.003 (2)	0.036 (2)	0.004 (2)
I307	0.575 (16)	0.058 (4)	0.041 (2)	0.026 (5)	0.063 (4)	0.006 (2)
I311	0.1326 (16)	0.0782 (12)	0.1432 (18)	0.0023 (11)	−0.0115 (13)	−0.0517 (12)
I312	0.1602 (18)	0.0642 (10)	0.152 (2)	−0.0189 (11)	0.0540 (14)	−0.0035 (11)
I409	0.295 (10)	0.075 (4)	0.086 (4)	0.051 (5)	0.101 (4)	0.052 (3)
I316	0.124 (2)	0.082 (2)	0.084 (3)	−0.0282 (18)	0.040 (2)	−0.027 (2)
I308	0.272 (9)	0.165 (7)	0.063 (4)	−0.103 (6)	0.020 (4)	0.015 (4)
I315	0.130 (3)	0.055 (2)	0.095 (3)	0.009 (2)	0.029 (2)	0.0093 (17)
I413	0.258 (12)	0.152 (9)	0.164 (10)	−0.064 (8)	0.011 (7)	0.009 (7)
I404	0.156 (6)	0.173 (6)	0.106 (7)	−0.049 (4)	−0.013 (4)	0.027 (5)
I403	0.268 (5)	0.076 (2)	0.054 (5)	0.011 (3)	0.049 (3)	0.002 (2)
I318	0.080 (2)	0.0441 (15)	0.098 (2)	−0.0005 (13)	0.0118 (16)	−0.0115 (15)
I302	0.152 (3)	0.089 (3)	0.155 (5)	−0.025 (2)	0.041 (3)	−0.009 (3)
I301	0.223 (4)	0.080 (2)	0.081 (3)	0.037 (3)	0.061 (3)	0.014 (2)
I317	0.132 (3)	0.0453 (16)	0.099 (2)	0.0059 (17)	0.0339 (19)	0.0166 (14)
Zn45	0.33 (2)	0.057 (8)	0.054 (8)	−0.037 (9)	0.055 (9)	−0.022 (6)
Zn34	0.286 (17)	0.062 (11)	0.031 (6)	−0.031 (9)	0.032 (6)	0.002 (6)
Zn38	0.103 (4)	0.047 (4)	0.063 (5)	−0.003 (3)	0.030 (3)	−0.006 (3)
Zn47	0.31 (2)	0.065 (12)	0.030 (6)	−0.021 (10)	0.030 (7)	−0.004 (6)
I405	0.069 (3)	0.049 (3)	0.114 (4)	0.000 (2)	0.016 (3)	−0.019 (3)
Zn36	0.123 (3)	0.0490 (16)	0.112 (3)	−0.0108 (16)	0.0102 (19)	−0.0120 (16)
I406	0.110 (5)	0.049 (3)	0.101 (4)	−0.007 (3)	0.041 (3)	0.003 (3)
Zn42	0.249 (19)	0.067 (10)	0.100 (10)	−0.047 (9)	0.002 (9)	−0.006 (7)
Zn31	0.186 (8)	0.051 (4)	0.117 (7)	0.015 (5)	0.037 (5)	0.003 (4)
Zn39	0.089 (5)	0.040 (3)	0.082 (4)	−0.001 (3)	0.015 (3)	0.001 (3)
Zn43	0.047 (5)	0.035 (6)	0.086 (6)	0.001 (4)	0.013 (4)	−0.003 (4)
N321	0.136 (16)	0.067 (11)	0.034 (7)	−0.005 (10)	0.023 (8)	0.002 (7)
N320	0.124 (14)	0.058 (10)	0.034 (7)	0.025 (10)	0.009 (8)	0.001 (6)
N314	0.126 (13)	0.043 (8)	0.036 (6)	0.001 (8)	0.030 (7)	−0.003 (6)
N315	0.123 (13)	0.030 (7)	0.054 (8)	−0.009 (8)	0.011 (8)	0.008 (6)
N311	0.090 (12)	0.077 (11)	0.047 (8)	−0.013 (9)	0.004 (7)	−0.004 (7)
N322	0.147 (16)	0.042 (9)	0.058 (9)	0.002 (9)	0.024 (9)	−0.006 (7)
N317	0.148 (15)	0.041 (8)	0.047 (8)	−0.004 (9)	0.026 (8)	0.010 (6)
N310	0.116 (13)	0.051 (9)	0.051 (8)	−0.005 (9)	0.022 (8)	0.000 (7)
N324	0.107 (13)	0.070 (11)	0.054 (8)	−0.003 (10)	0.017 (8)	−0.017 (8)
N316	0.142 (14)	0.031 (7)	0.038 (7)	−0.010 (8)	0.028 (7)	−0.011 (5)
N319	0.137 (16)	0.039 (9)	0.089 (13)	0.004 (10)	−0.001 (11)	0.004 (9)
N329	0.20 (2)	0.065 (11)	0.039 (8)	−0.004 (12)	0.041 (10)	−0.008 (7)
N313	0.145 (15)	0.043 (9)	0.051 (8)	−0.016 (9)	0.020 (9)	−0.004 (7)
N326	0.144 (15)	0.035 (8)	0.049 (8)	−0.015 (9)	0.021 (8)	−0.003 (6)
N318	0.120 (14)	0.069 (12)	0.079 (12)	−0.003 (10)	0.025 (10)	−0.013 (10)
N327	0.161 (17)	0.034 (8)	0.070 (10)	−0.013 (9)	0.033 (10)	−0.022 (7)
N333	0.085 (12)	0.075 (12)	0.100 (14)	−0.013 (10)	0.015 (10)	−0.011 (10)
N303	0.110 (14)	0.054 (10)	0.112 (16)	−0.020 (9)	0.032 (12)	−0.033 (11)
N328	0.124 (14)	0.073 (11)	0.058 (9)	−0.028 (10)	0.023 (9)	−0.026 (8)
N304	0.128 (15)	0.044 (10)	0.107 (15)	−0.011 (10)	0.029 (11)	−0.030 (10)
C361	0.105 (16)	0.064 (12)	0.048 (9)	−0.009 (11)	0.023 (10)	−0.001 (9)
N323	0.091 (12)	0.091 (14)	0.060 (10)	0.003 (11)	0.009 (9)	−0.007 (9)
C352	0.098 (14)	0.045 (10)	0.067 (11)	−0.001 (10)	0.009 (10)	−0.011 (9)
N302	0.126 (15)	0.042 (9)	0.096 (13)	−0.011 (9)	0.032 (11)	−0.012 (9)
C362	0.129 (18)	0.058 (12)	0.038 (8)	0.008 (12)	0.024 (10)	0.004 (8)
N325	0.133 (15)	0.052 (10)	0.074 (10)	−0.004 (9)	0.018 (10)	−0.036 (8)
N334	0.112 (14)	0.063 (11)	0.094 (13)	0.004 (11)	0.023 (11)	−0.007 (10)
C342	0.092 (12)	0.063 (11)	0.034 (7)	0.000 (9)	0.025 (7)	0.001 (7)
C339	0.098 (13)	0.041 (9)	0.052 (9)	−0.010 (9)	0.011 (8)	−0.004 (7)
N335	0.097 (14)	0.095 (15)	0.099 (14)	−0.013 (11)	0.015 (11)	−0.020 (12)
C379	0.106 (14)	0.057 (11)	0.049 (9)	−0.009 (10)	0.029 (9)	0.007 (8)
C327	0.093 (14)	0.055 (11)	0.049 (9)	−0.002 (10)	0.021 (9)	−0.008 (8)
C344	0.077 (12)	0.063 (12)	0.056 (10)	−0.014 (9)	0.017 (8)	0.008 (8)
C363	0.128 (18)	0.048 (11)	0.048 (10)	−0.008 (12)	0.010 (11)	0.006 (8)
N336	0.19 (3)	0.047 (11)	0.116 (17)	−0.023 (14)	0.049 (16)	0.000 (11)
C387	0.111 (16)	0.056 (12)	0.076 (13)	−0.014 (11)	0.009 (11)	0.011 (10)
N308	0.154 (19)	0.062 (12)	0.082 (13)	0.024 (13)	−0.032 (13)	−0.021 (9)
C378	0.110 (15)	0.032 (9)	0.058 (10)	−0.026 (9)	0.021 (9)	−0.011 (7)
C343	0.17 (2)	0.035 (9)	0.040 (9)	−0.020 (11)	0.025 (10)	−0.025 (7)
C369	0.122 (18)	0.051 (11)	0.052 (10)	−0.005 (11)	0.006 (10)	−0.011 (8)
N301	0.21 (2)	0.042 (10)	0.120 (17)	0.001 (13)	0.052 (16)	−0.017 (11)
N306	0.107 (16)	0.059 (13)	0.18 (3)	0.007 (11)	0.019 (16)	0.005 (15)
C350	0.141 (19)	0.038 (10)	0.065 (12)	0.003 (11)	0.014 (11)	−0.024 (9)
C325	0.085 (13)	0.046 (10)	0.073 (12)	−0.002 (10)	0.009 (10)	−0.025 (9)
C377	0.105 (14)	0.064 (12)	0.047 (9)	−0.006 (10)	0.023 (9)	−0.011 (8)
C360	0.14 (2)	0.058 (12)	0.051 (10)	−0.002 (12)	0.023 (11)	−0.006 (9)
N312	0.145 (17)	0.050 (9)	0.055 (9)	0.005 (10)	0.010 (9)	−0.021 (7)
C337	0.14 (2)	0.080 (15)	0.043 (9)	0.011 (14)	0.007 (11)	0.008 (9)
N305	0.129 (16)	0.043 (10)	0.132 (17)	−0.010 (10)	0.052 (13)	−0.021 (10)
C365	0.17 (2)	0.043 (11)	0.052 (10)	0.012 (13)	0.032 (12)	−0.004 (8)
C367	0.16 (2)	0.070 (15)	0.089 (16)	−0.006 (16)	0.072 (17)	−0.031 (12)
N332	0.115 (17)	0.086 (15)	0.118 (17)	−0.002 (13)	0.020 (13)	0.023 (13)
N330	0.079 (12)	0.089 (15)	0.14 (2)	0.009 (11)	0.023 (13)	0.005 (15)
C366	0.17 (3)	0.066 (14)	0.058 (12)	−0.015 (16)	−0.019 (14)	0.015 (10)
C338	0.125 (17)	0.066 (13)	0.048 (9)	−0.012 (12)	0.012 (10)	0.000 (9)
C349	0.18 (2)	0.037 (10)	0.051 (10)	−0.002 (12)	0.019 (12)	−0.001 (8)
C357	0.086 (14)	0.082 (15)	0.062 (11)	−0.010 (11)	0.013 (10)	0.002 (10)
N309	0.136 (18)	0.069 (12)	0.078 (12)	−0.003 (12)	0.019 (11)	−0.007 (9)
C316	0.118 (18)	0.063 (14)	0.083 (15)	−0.005 (13)	0.007 (13)	−0.018 (12)
C354	0.136 (18)	0.051 (11)	0.055 (10)	−0.014 (11)	0.016 (11)	−0.022 (9)
C346	0.24 (3)	0.044 (10)	0.031 (8)	−0.006 (14)	0.047 (12)	0.001 (7)
O3A	0.056 (12)	0.044 (9)	0.074 (10)	−0.005 (9)	0.005 (9)	0.007 (8)
C331	0.114 (17)	0.060 (12)	0.055 (10)	0.001 (12)	0.015 (10)	−0.014 (9)
C334	0.123 (19)	0.059 (13)	0.065 (12)	−0.018 (13)	−0.011 (12)	−0.020 (10)
C371	0.15 (2)	0.061 (13)	0.082 (14)	0.033 (14)	−0.013 (14)	−0.026 (11)
C398	0.086 (16)	0.066 (14)	0.111 (18)	−0.009 (12)	−0.002 (13)	0.005 (13)
C351	0.117 (17)	0.050 (11)	0.082 (14)	0.016 (11)	0.018 (12)	0.006 (10)
C326	0.114 (17)	0.051 (11)	0.059 (11)	0.006 (12)	0.005 (11)	−0.006 (9)
C373	0.17 (2)	0.047 (12)	0.072 (13)	0.010 (13)	0.032 (14)	−0.012 (10)
C372	0.16 (2)	0.076 (14)	0.048 (10)	−0.010 (14)	0.029 (11)	−0.015 (10)
C347	0.25 (3)	0.046 (11)	0.062 (12)	−0.004 (15)	0.086 (16)	0.008 (9)
C374	0.136 (18)	0.046 (11)	0.067 (12)	−0.021 (11)	0.031 (11)	−0.004 (9)
C308	0.13 (2)	0.045 (12)	0.14 (2)	0.007 (12)	0.038 (17)	0.038 (14)
C368	0.15 (2)	0.087 (16)	0.044 (9)	−0.019 (14)	0.028 (11)	−0.029 (10)
C348	0.21 (3)	0.059 (13)	0.035 (8)	0.018 (15)	0.032 (12)	0.019 (8)
C356	0.088 (15)	0.096 (17)	0.069 (13)	−0.004 (13)	0.008 (11)	−0.014 (11)
C381	0.16 (2)	0.072 (15)	0.062 (12)	−0.011 (15)	0.027 (13)	−0.013 (11)
C345	0.123 (16)	0.072 (13)	0.048 (10)	−0.013 (12)	0.042 (10)	−0.021 (9)
C376	0.19 (3)	0.062 (14)	0.065 (12)	−0.033 (15)	0.049 (14)	−0.036 (11)
N331	0.120 (19)	0.073 (15)	0.16 (2)	0.004 (14)	0.008 (17)	−0.008 (15)
O2A	0.129 (18)	0.036 (10)	0.062 (10)	0.004 (11)	0.005 (10)	−0.018 (7)
C370	0.15 (2)	0.072 (15)	0.059 (12)	0.000 (15)	0.004 (13)	−0.020 (10)
O1A	0.127 (14)	0.049 (12)	0.038 (11)	−0.045 (12)	0.025 (9)	−0.034 (10)
C310	0.18 (3)	0.052 (13)	0.099 (17)	0.031 (15)	0.050 (17)	0.006 (12)
C380	0.143 (18)	0.058 (12)	0.047 (9)	−0.024 (12)	0.034 (10)	−0.023 (8)
C384	0.25 (3)	0.040 (10)	0.035 (8)	−0.013 (14)	0.040 (13)	−0.006 (7)
C1A	0.094 (14)	0.038 (10)	0.047 (12)	−0.003 (8)	0.049 (9)	0.005 (9)
C329	0.12 (2)	0.075 (16)	0.117 (19)	−0.032 (15)	0.034 (16)	−0.060 (15)
C309	0.101 (16)	0.049 (12)	0.112 (18)	−0.012 (11)	0.020 (13)	−0.002 (11)
C394	0.093 (19)	0.12 (3)	0.14 (3)	−0.017 (18)	−0.021 (17)	−0.03 (2)
C336	0.19 (3)	0.084 (17)	0.059 (12)	−0.026 (17)	0.007 (14)	−0.023 (12)
C396	0.081 (16)	0.076 (16)	0.14 (2)	0.003 (13)	0.015 (14)	−0.002 (15)
C330	0.134 (19)	0.046 (11)	0.082 (14)	0.005 (12)	0.014 (13)	0.026 (10)
C341	0.26 (3)	0.034 (10)	0.059 (12)	0.004 (15)	0.048 (15)	0.005 (9)
C2A	0.096 (15)	0.036 (9)	0.050 (12)	−0.002 (8)	0.035 (10)	0.016 (8)
C389	0.102 (18)	0.087 (18)	0.104 (19)	−0.018 (14)	0.003 (14)	−0.010 (15)
C402	0.12 (2)	0.11 (2)	0.15 (3)	0.013 (19)	0.041 (19)	−0.04 (2)
C306	0.105 (16)	0.064 (14)	0.084 (15)	−0.008 (12)	0.011 (12)	−0.029 (12)
C6A	0.106 (15)	0.030 (7)	0.053 (12)	−0.005 (9)	0.036 (10)	−0.008 (9)
C335	0.18 (3)	0.086 (18)	0.093 (17)	−0.049 (18)	0.045 (17)	−0.071 (15)
C307	0.094 (15)	0.067 (14)	0.088 (14)	−0.019 (11)	0.027 (11)	−0.006 (11)
C353	0.16 (2)	0.055 (13)	0.081 (14)	0.005 (13)	0.043 (14)	0.006 (11)
C392	0.11 (2)	0.079 (17)	0.14 (2)	0.002 (16)	0.031 (17)	0.034 (17)
C358	0.16 (2)	0.086 (18)	0.067 (13)	−0.003 (17)	0.025 (14)	−0.034 (12)
C407	0.17 (3)	0.051 (14)	0.15 (3)	0.044 (17)	0.07 (2)	0.014 (16)
C311	0.16 (2)	0.046 (13)	0.13 (2)	−0.015 (14)	0.005 (18)	−0.007 (14)
C340	0.22 (3)	0.048 (11)	0.041 (9)	0.002 (14)	0.045 (13)	0.004 (8)
C405	0.14 (2)	0.074 (17)	0.12 (2)	−0.035 (18)	0.067 (19)	−0.013 (15)
C302	0.13 (2)	0.068 (14)	0.092 (16)	0.002 (13)	0.030 (14)	0.005 (12)
C355	0.14 (2)	0.104 (19)	0.042 (10)	−0.018 (17)	0.007 (12)	0.004 (11)
C5A	0.106 (13)	0.032 (8)	0.053 (12)	−0.008 (8)	0.017 (10)	−0.010 (7)
C397	0.074 (14)	0.077 (16)	0.117 (19)	0.002 (12)	0.011 (13)	0.002 (14)
C386	0.133 (19)	0.051 (12)	0.084 (14)	0.011 (12)	0.028 (13)	−0.013 (10)
C364	0.18 (3)	0.081 (18)	0.077 (15)	−0.022 (19)	0.020 (17)	−0.039 (13)
C385	0.108 (18)	0.079 (17)	0.12 (2)	−0.013 (14)	0.031 (16)	−0.035 (16)
C375	0.17 (2)	0.051 (12)	0.079 (14)	−0.021 (14)	0.033 (15)	0.007 (10)
C382	0.19 (2)	0.050 (12)	0.052 (10)	−0.012 (14)	0.031 (13)	−0.004 (9)
C318	0.127 (19)	0.053 (13)	0.090 (16)	0.012 (12)	0.017 (14)	−0.017 (11)
C388	0.15 (2)	0.055 (14)	0.13 (2)	−0.022 (15)	0.001 (18)	0.019 (14)
C328	0.16 (2)	0.077 (16)	0.063 (12)	−0.005 (15)	0.013 (13)	0.011 (11)
C3A	0.082 (12)	0.035 (9)	0.035 (10)	−0.003 (8)	0.032 (8)	0.009 (8)
C9A	0.065 (17)	0.034 (8)	0.082 (13)	0.003 (10)	−0.013 (12)	−0.008 (8)
C321	0.093 (16)	0.100 (19)	0.089 (16)	−0.022 (14)	−0.003 (12)	−0.019 (14)
C4A	0.100 (13)	0.028 (7)	0.055 (11)	−0.002 (7)	0.007 (9)	−0.006 (6)
C313	0.23 (3)	0.064 (15)	0.084 (16)	−0.006 (18)	0.064 (19)	−0.012 (13)
C312	0.25 (4)	0.042 (13)	0.13 (2)	−0.018 (17)	0.08 (2)	−0.022 (14)
C303	0.14 (2)	0.069 (16)	0.16 (3)	−0.041 (15)	0.07 (2)	−0.069 (18)
N307	0.094 (17)	0.095 (18)	0.23 (4)	0.021 (14)	−0.014 (19)	−0.01 (2)
C395	0.109 (19)	0.073 (16)	0.12 (2)	0.012 (14)	−0.003 (15)	−0.003 (15)
C7A	0.092 (15)	0.029 (7)	0.066 (9)	−0.002 (8)	0.002 (9)	−0.004 (6)
C401	0.19 (3)	0.071 (18)	0.15 (3)	0.01 (2)	−0.02 (3)	−0.016 (19)
C1	0.13 (2)	0.086 (19)	0.14 (3)	−0.021 (17)	0.006 (18)	−0.010 (18)
C406	0.17 (3)	0.09 (2)	0.11 (2)	0.01 (2)	0.06 (2)	0.027 (16)
C8A	0.078 (16)	0.035 (8)	0.064 (10)	0.006 (10)	−0.012 (10)	−0.009 (7)
C324	0.121 (19)	0.080 (16)	0.075 (14)	−0.004 (14)	0.005 (13)	−0.014 (12)
C317	0.15 (2)	0.068 (15)	0.11 (2)	−0.016 (15)	0.040 (17)	−0.018 (14)
C319	0.10 (2)	0.17 (4)	0.21 (4)	−0.02 (2)	−0.04 (2)	−0.04 (3)
C383	0.31 (4)	0.09 (2)	0.059 (13)	−0.01 (2)	0.08 (2)	0.010 (13)
C315	0.16 (3)	0.062 (16)	0.16 (3)	0.031 (17)	0.00 (2)	−0.028 (18)
C403	0.11 (2)	0.11 (2)	0.16 (3)	−0.003 (18)	−0.011 (19)	−0.05 (2)
C359	0.13 (3)	0.10 (2)	0.16 (3)	−0.020 (19)	0.03 (2)	−0.07 (2)
C314	0.16 (3)	0.09 (2)	0.18 (3)	0.01 (2)	0.01 (2)	−0.05 (2)
C11A	0.070 (18)	0.043 (8)	0.092 (15)	0.001 (10)	0.003 (13)	0.011 (8)
C390	0.10 (2)	0.09 (2)	0.39 (7)	0.018 (18)	−0.03 (3)	−0.10 (3)
C304	0.30 (5)	0.030 (12)	0.13 (2)	−0.006 (18)	0.07 (3)	0.016 (13)
C391	0.09 (2)	0.10 (2)	0.23 (4)	0.001 (18)	−0.02 (2)	−0.02 (3)
C301	0.20 (3)	0.055 (15)	0.14 (3)	−0.006 (17)	0.08 (2)	−0.008 (16)
C393	0.10 (2)	0.10 (2)	0.18 (3)	−0.017 (17)	0.03 (2)	−0.03 (2)
C10A	0.065 (17)	0.045 (10)	0.089 (14)	0.006 (12)	−0.012 (12)	0.004 (8)
C12A	0.055 (14)	0.041 (8)	0.067 (10)	−0.004 (9)	−0.010 (9)	0.004 (7)
C404	0.23 (4)	0.08 (2)	0.11 (2)	0.01 (2)	0.08 (2)	−0.008 (17)
C13A	0.105 (13)	0.022 (10)	0.063 (14)	−0.021 (9)	0.006 (10)	−0.013 (10)
C14A	0.11 (3)	0.07 (2)	0.080 (17)	0.00 (2)	0.004 (18)	−0.039 (16)
C323	0.11 (2)	0.15 (3)	0.25 (5)	−0.01 (2)	−0.03 (3)	−0.10 (3)
C305	0.37 (7)	0.06 (2)	0.24 (5)	0.03 (3)	0.11 (5)	−0.02 (3)
C322	0.14 (3)	0.13 (3)	0.22 (4)	0.05 (2)	−0.05 (3)	−0.10 (3)
C320	0.13 (2)	0.10 (2)	0.18 (3)	−0.030 (18)	0.01 (2)	−0.05 (2)
C499	0.069 (18)	0.15 (3)	0.08 (2)	−0.01 (2)	0.014 (17)	−0.05 (2)
C333	0.12 (2)	0.08 (2)	0.073 (18)	0.018 (18)	0.022 (17)	−0.019 (16)
I305	0.110 (4)	0.108 (4)	0.382 (11)	−0.006 (3)	−0.011 (5)	−0.124 (6)
Zn33	0.146 (12)	0.058 (6)	0.39 (2)	−0.002 (6)	−0.034 (10)	−0.020 (8)
I306	0.133 (4)	0.099 (5)	0.504 (15)	−0.013 (3)	0.009 (7)	0.104 (6)
I418	0.088 (4)	0.091 (5)	0.246 (11)	−0.015 (3)	0.041 (5)	−0.054 (6)
Zn49	0.093 (10)	0.074 (9)	0.22 (2)	0.002 (7)	0.036 (11)	0.028 (12)
I417	0.135 (7)	0.159 (9)	0.374 (19)	−0.013 (6)	0.104 (9)	0.065 (10)
I314	0.406 (12)	0.058 (3)	0.051 (2)	−0.010 (4)	0.045 (4)	0.0098 (19)
Zn37	0.102 (6)	0.060 (10)	0.071 (8)	−0.024 (5)	0.019 (5)	−0.004 (6)
I313	0.099 (3)	0.123 (5)	0.077 (2)	−0.025 (3)	0.0158 (19)	0.008 (2)
Zn44	0.096 (6)	0.062 (11)	0.051 (9)	−0.020 (6)	−0.002 (5)	−0.006 (7)
I407	0.156 (4)	0.050 (3)	0.060 (3)	−0.001 (3)	−0.002 (2)	−0.005 (2)
I408	0.086 (3)	0.187 (9)	0.095 (6)	−0.010 (4)	0.011 (3)	0.060 (5)
I309	0.211 (4)	0.050 (2)	0.067 (3)	0.029 (2)	0.073 (3)	0.031 (2)
Zn35	0.112 (5)	0.046 (5)	0.046 (5)	0.006 (4)	0.040 (4)	0.011 (3)
I310	0.254 (9)	0.093 (6)	0.061 (3)	−0.032 (5)	0.077 (4)	−0.033 (3)
I401	0.358 (17)	0.072 (5)	0.082 (6)	0.031 (7)	0.056 (8)	0.013 (5)
Zn41	0.27 (3)	0.110 (16)	0.140 (17)	−0.105 (15)	0.159 (18)	−0.078 (12)
I402	0.350 (18)	0.086 (7)	0.046 (3)	−0.085 (8)	0.024 (5)	−0.016 (3)
I303	0.266 (6)	0.069 (2)	0.043 (5)	−0.004 (3)	0.038 (3)	0.006 (2)
Zn32	0.071 (7)	0.076 (11)	0.133 (13)	−0.020 (5)	0.029 (6)	−0.008 (8)
I304	0.086 (4)	0.165 (5)	0.076 (4)	−0.031 (3)	0.004 (3)	0.033 (4)
C15A	0.12 (3)	0.09 (3)	0.123 (19)	0.05 (3)	0.07 (2)	0.053 (19)
I415	0.273 (14)	0.085 (6)	0.071 (5)	−0.012 (6)	0.028 (6)	0.008 (4)
Zn48	0.32 (3)	0.097 (13)	0.046 (8)	−0.074 (14)	0.075 (11)	−0.025 (7)
I416	0.233 (14)	0.136 (7)	0.086 (5)	−0.062 (8)	0.080 (6)	−0.060 (4)
C332	0.14 (2)	0.09 (2)	0.068 (18)	0.011 (19)	0.004 (18)	−0.038 (16)
C500	0.077 (18)	0.13 (3)	0.08 (2)	−0.013 (19)	0.021 (17)	−0.06 (2)
C433	0.12 (3)	0.09 (3)	0.07 (2)	0.01 (2)	0.00 (2)	−0.02 (2)
C432	0.14 (3)	0.06 (2)	0.07 (2)	0.02 (2)	0.01 (2)	−0.040 (18)
C399	0.08 (2)	0.13 (3)	0.09 (2)	−0.02 (2)	0.02 (2)	−0.04 (2)
C400	0.09 (2)	0.14 (3)	0.10 (3)	0.00 (2)	0.02 (2)	−0.05 (2)

Geometric parameters (Å, º)

I410—Zn45	2.492 (12)	C347—H347	0.9500
I414—Zn47	2.561 (10)	C374—C375	1.35 (3)
I307—Zn34	2.535 (10)	C368—H368	0.9500
I311—Zn36	2.522 (4)	C348—H348	0.9500
I312—Zn36	2.509 (4)	C356—H356	0.9500
I409—Zn45	2.541 (12)	C356—C355	1.32 (3)
I316—Zn38	2.534 (9)	C381—H381	0.9500
I308—Zn34	2.527 (11)	C381—C380	1.32 (3)
I315—Zn38	2.526 (6)	C381—C382	1.32 (3)
I413—Zn47	2.525 (12)	C376—H376	0.9500
I404—Zn42	2.502 (12)	C376—C375	1.40 (3)
I403—Zn42	2.577 (10)	N331—C394	1.30 (4)
I318—Zn39	2.549 (8)	N331—C390	1.28 (4)
I302—Zn31	2.520 (10)	N331—Zn49	2.07 (3)
I301—Zn31	2.518 (8)	N331—Zn59	1.94 (5)
I317—Zn39	2.503 (8)	O2A—C8A	1.38 (3)
Zn45—N311^i	2.15 (2)	O2A—C14A	1.443 (19)
Zn45—N317	2.040 (18)	C370—H370	0.9500
Zn34—N313	2.052 (17)	O1A—H1A	0.8400
Zn34—N312	2.023 (18)	O1A—C13A	1.435 (18)
Zn38—N329	2.056 (16)	C310—H310	0.9500
Zn38—N323^ii	2.12 (2)	C310—C309	1.38 (3)
Zn47—N324	2.049 (19)	C310—C311	1.42 (4)
Zn47—N325	1.99 (2)	C380—C384	1.44 (3)
I405—Zn43	2.523 (12)	C384—H384	0.9500
Zn36—N319	2.04 (2)	C384—C383	1.40 (3)
Zn36—N318	2.099 (19)	C1A—H1AA	0.9500
I406—Zn43	2.575 (11)	C1A—C2A	1.384 (18)
Zn42—N335^iii	2.11 (3)	C1A—C6A	1.389 (18)
Zn42—N305	2.05 (2)	C329—H329	0.9500
Zn31—N336^iv	2.10 (3)	C329—C328	1.39 (3)
Zn31—N301	2.07 (2)	C309—C307	1.49 (3)
Zn39—N330	2.12 (2)	C309—C313	1.35 (3)
Zn39—N331	2.08 (3)	C394—H394	0.9500
Zn43—N306	2.13 (2)	C394—C393	1.40 (4)
Zn43—N307	2.08 (3)	C336—H336	0.9500
N321—C361	1.36 (3)	C336—C335	1.40 (3)
N321—C360	1.34 (3)	C330—H330	0.9500
N320—C362	1.26 (3)	C341—H341	0.9500
N320—C360	1.39 (3)	C341—C340	1.38 (3)
N314—C342	1.38 (2)	C2A—H2A	0.9500
N314—C344	1.34 (2)	C2A—C3A	1.397 (18)
N315—C342	1.39 (2)	C389—H389	0.9500
N315—C343	1.25 (2)	C389—C388	1.34 (3)
N311—C329	1.32 (3)	C402—H402	0.9500
N311—C330	1.34 (3)	C402—C401	1.39 (4)
N311—Zn35^v	2.01 (2)	C306—C303	1.48 (3)
N322—C361	1.31 (3)	C6A—H6A	0.9500
N322—C362	1.36 (3)	C6A—C5A	1.396 (18)
N317—C347	1.38 (2)	C335—H335	0.9500
N317—C348	1.29 (3)	C353—H353	0.9500
N317—Zn35	2.069 (16)	C392—C395	1.51 (4)
N310—C325	1.29 (2)	C392—C391	1.37 (4)
N310—C326	1.37 (3)	C392—C393	1.43 (4)
N324—C367	1.35 (3)	C358—H358	0.9500
N324—C371	1.42 (3)	C358—C359	1.40 (4)
N324—Zn37	2.018 (18)	C407—H407	0.9500
N316—C344	1.31 (2)	C407—C406	1.49 (4)
N316—C343	1.37 (2)	C311—H311	0.9500
N319—C355	1.34 (3)	C340—H340	0.9500
N319—C359	1.31 (3)	C405—C397	1.48 (4)
N319—Zn46	2.04 (3)	C405—C406	1.29 (4)
N329—C382	1.35 (2)	C405—C404	1.34 (4)
N329—C383	1.28 (3)	C302—H302	0.9500
N329—Zn48	2.045 (19)	C302—C303	1.39 (4)
N329—Zn58	2.06 (4)	C302—C301	1.32 (4)
N313—C337	1.35 (3)	C355—H355	0.9500
N313—C341	1.37 (3)	C5A—C4A	1.402 (17)
N313—Zn44	2.037 (17)	C5A—C13A	1.510 (18)
N326—C379	1.30 (2)	C386—H386	0.9500
N326—C377	1.32 (2)	C386—C385	1.42 (3)
N318—C350	1.31 (3)	C364—H364	0.9500
N318—C354	1.28 (2)	C364—C1	1.40 (4)
N318—Zn46	2.09 (3)	C385—H385	0.9500
N327—C378	1.31 (2)	C375—H375	0.9500
N327—C377	1.32 (2)	C382—H382	0.9500
N333—C396	1.25 (3)	C318—H318	0.9500
N333—C395	1.32 (3)	C318—C317	1.43 (3)
N303—C306	1.27 (3)	C388—H388	0.9500
N303—C307	1.31 (3)	C328—H328	0.9500
N328—C379	1.37 (2)	C3A—H3A	0.9500
N328—C378	1.40 (2)	C3A—C4A	1.404 (18)
N304—C308	1.35 (3)	C9A—H9A	0.9500
N304—C307	1.33 (3)	C9A—C8A	1.389 (18)
C361—C363	1.51 (3)	C9A—C10A	1.384 (18)
N323—C365	1.26 (3)	C321—C324	1.50 (3)
N323—C364	1.28 (3)	C321—C322	1.34 (4)
N323—Zn48^vi	1.95 (3)	C321—C320	1.40 (4)
N323—Zn58^vi	2.34 (10)	C4A—C7A	1.509 (18)
C352—C344	1.53 (3)	C313—H313	0.9500
C352—C351	1.33 (3)	C313—C312	1.43 (4)
C352—C353	1.37 (3)	C312—H312	0.9500
N302—C308	1.31 (3)	C303—C304	1.31 (4)
N302—C306	1.37 (3)	N307—C319	1.42 (5)
C362—C369	1.47 (3)	N307—C323	1.26 (4)
N325—C372	1.37 (2)	N307—Zn33	2.06 (3)
N325—C376	1.37 (3)	N307—Zn53	1.85 (8)
N325—Zn37	2.00 (2)	C7A—C8A	1.397 (18)
N334—C396	1.38 (3)	C7A—C12A	1.393 (18)
N334—C397	1.29 (3)	C401—H401	0.9500
C342—C339	1.42 (2)	C1—H1	0.9500
C339—C338	1.37 (3)	C406—H406	0.9500
C339—C340	1.40 (3)	C317—H317	0.9500
N335—C401	1.41 (4)	C319—H319	0.9500
N335—Zn32^vii	2.01 (2)	C319—C320	1.44 (4)
N335—C500	1.46 (3)	C383—H383	0.9500
N335—C400	1.46 (3)	C315—H315	0.9500
C379—C387	1.49 (3)	C315—C314	1.37 (4)
C327—C325	1.49 (2)	C403—H403	0.9500
C327—C331	1.31 (3)	C403—C404	1.46 (4)
C327—C328	1.36 (3)	C359—H359	0.9500
C363—C366	1.29 (3)	C314—H314	0.9500
C363—C1	1.39 (3)	C11A—H11A	0.9500
N336—C407	1.29 (4)	C11A—C10A	1.383 (18)
N336—C403	1.35 (3)	C11A—C12A	1.395 (18)
N336—Zn41^viii	2.01 (3)	C390—H390	0.9500
N336—Zn51^viii	2.29 (7)	C390—C391	1.38 (4)
C387—C386	1.38 (3)	C304—H304	0.9500
C387—C388	1.29 (3)	C304—C305	1.45 (5)
N308—C326	1.23 (3)	C391—H391	0.9500
N308—C324	1.32 (3)	C301—H301	0.9500
C378—C380	1.46 (2)	C393—H393	0.9500
C343—C345	1.49 (2)	C10A—H10A	0.9500
C369—C368	1.33 (3)	C404—H404	0.9500
C369—C370	1.38 (3)	C13A—H13A	0.9900
N301—C301	1.43 (4)	C13A—H13B	0.9900
N301—C305	1.33 (4)	C14A—H14A	0.9800
N301—Zn41	2.11 (2)	C14A—H14B	0.9800
N301—Zn51	2.11 (3)	C14A—H14C	0.9800
N306—C318	1.31 (3)	C323—H323	0.9500
N306—C314	1.28 (4)	C323—C322	1.31 (4)
N306—Zn33	2.13 (2)	C305—H305	0.9500
N306—Zn53	2.27 (7)	C322—H322	0.9500
C350—H350	0.9500	C320—H320	0.9500
C350—C351	1.38 (3)	C499—H499	0.9500
C325—N309	1.33 (3)	C499—C500	1.38 (4)
C325—I516^ix	2.56 (4)	C333—H333	0.9500
C377—C374	1.48 (3)	C333—C332	1.34 (4)
C360—C357	1.48 (3)	I305—Zn33	2.493 (11)
N312—C336	1.31 (3)	Zn33—I306	2.527 (13)
N312—Zn44	2.061 (18)	I418—Zn49	2.514 (13)
N312—C332	1.43 (4)	Zn49—I417	2.515 (14)
N312—C432	1.42 (4)	I314—Zn37	2.510 (9)
C337—H337	0.9500	Zn37—I313	2.514 (7)
C337—C338	1.35 (3)	Zn44—I407	2.540 (9)
N305—C311	1.32 (3)	Zn44—I408	2.527 (8)
N305—C312	1.37 (3)	I309—Zn35	2.559 (8)
N305—Zn32	2.06 (2)	Zn35—I310	2.505 (9)
C365—H365	0.9500	I401—Zn41	2.541 (16)
C365—C366	1.46 (3)	Zn41—I402	2.534 (15)
C367—H367	0.9500	I303—Zn32	2.577 (11)
C367—C368	1.38 (3)	Zn32—I304	2.511 (8)
N332—C397	1.29 (3)	I505—Zn53	2.516 (18)
N332—C395	1.37 (3)	I506—Zn53	2.544 (19)
N330—C389	1.29 (3)	I518—Zn59	2.530 (17)
N330—C385	1.30 (3)	I517—Zn59	2.518 (18)
N330—Zn49	2.12 (3)	I501—Zn51	2.54 (2)
N330—Zn59	2.35 (5)	I502—Zn51	2.53 (2)
C366—H366	0.9500	C15A—H15A	0.9800
C338—H338	0.9500	C15A—H15B	0.9800
C349—H349	0.9500	C15A—H15C	0.9800
C349—C348	1.40 (3)	I415—Zn48	2.539 (15)
C349—C345	1.30 (3)	Zn48—I416	2.528 (15)
C357—C356	1.41 (3)	I516—Zn58	2.526 (19)
C357—C358	1.33 (3)	I515—Zn58	2.534 (19)
N309—C324	1.39 (3)	I412—Zn46	2.500 (19)
C316—C308	1.49 (3)	Zn46—I411	2.514 (19)
C316—C317	1.33 (3)	C332—H332	0.9500
C316—C315	1.41 (4)	C500—H500	0.9500
C354—H354	0.9500	C433—H433	0.9500
C354—C353	1.35 (3)	C433—C432	1.34 (4)
C346—H346	0.9500	C432—H432	0.9500
C346—C347	1.38 (3)	C399—H399	0.9500
C346—C345	1.44 (3)	C399—C400	1.39 (4)
O3A—C12A	1.38 (3)	C400—H400	0.9500
O3A—C15A	1.430 (19)	C803—H80A	0.9900
C331—H331	0.9500	C803—H80B	0.9900
C331—C330	1.43 (3)	C803—C802	1.537 (13)
C334—C326	1.46 (3)	C803—C804	1.539 (13)
C334—C335	1.31 (3)	C802—H80C	0.9900
C334—C333	1.48 (3)	C802—H80D	0.9900
C334—C433	1.48 (4)	C802—C801	1.535 (13)
C371—H371	0.9500	C801—H80E	0.9900
C371—C370	1.41 (3)	C801—H80F	0.9900
C398—C396	1.50 (3)	C801—C806	1.535 (13)
C398—C402	1.36 (4)	C806—H80G	0.9900
C398—C499	1.41 (4)	C806—H80H	0.9900
C398—C399	1.41 (4)	C806—C805	1.536 (13)
C351—H351	0.9500	C805—H80I	0.9900
C373—H373	0.9500	C805—H80J	0.9900
C373—C372	1.36 (3)	C805—C804	1.538 (13)
C373—C374	1.41 (3)	C804—H80K	0.9900
C372—H372	0.9500	C804—H80L	0.9900
I410—Zn45—I409	125.3 (7)	N311—C330—H330	120.7
N311^i—Zn45—I410	106.7 (7)	C331—C330—H330	120.7
N311^i—Zn45—I409	110.3 (8)	N313—C341—H341	118.5
N317—Zn45—I410	107.5 (8)	N313—C341—C340	123 (2)
N317—Zn45—I409	106.5 (7)	C340—C341—H341	118.5
N317—Zn45—N311^i	96.9 (8)	C1A—C2A—H2A	121.3
I308—Zn34—I307	123.9 (5)	C1A—C2A—C3A	117 (2)
N313—Zn34—I307	107.0 (6)	C3A—C2A—H2A	121.3
N313—Zn34—I308	106.2 (7)	N330—C389—H389	119.4
N312—Zn34—I307	105.1 (7)	N330—C389—C388	121 (3)
N312—Zn34—I308	110.1 (7)	C388—C389—H389	119.4
N312—Zn34—N313	102.5 (8)	C398—C402—H402	118.2
I315—Zn38—I316	126.5 (4)	C398—C402—C401	124 (3)
N329—Zn38—I316	103.3 (8)	C401—C402—H402	118.2
N329—Zn38—I315	111.7 (7)	N303—C306—N302	123 (2)
N329—Zn38—N323^ii	97.1 (8)	N303—C306—C303	123 (2)
N323^ii—Zn38—I316	109.1 (6)	N302—C306—C303	114 (2)
N323^ii—Zn38—I315	105.2 (7)	C1A—C6A—H6A	119.5
I413—Zn47—I414	128.3 (6)	C1A—C6A—C5A	121 (2)
N324—Zn47—I414	104.7 (7)	C5A—C6A—H6A	119.5
N324—Zn47—I413	108.6 (8)	C334—C335—C336	131 (3)
N325—Zn47—I414	107.4 (7)	C334—C335—H335	114.7
N325—Zn47—I413	103.3 (8)	C336—C335—H335	114.7
N325—Zn47—N324	101.7 (8)	N303—C307—N304	124 (2)
I312—Zn36—I311	120.66 (15)	N303—C307—C309	117 (2)
N319—Zn36—I311	107.2 (6)	N304—C307—C309	119 (2)
N319—Zn36—I312	108.1 (6)	C352—C353—H353	120.4
N319—Zn36—N318	102.6 (7)	C354—C353—C352	119 (2)
N318—Zn36—I311	109.9 (5)	C354—C353—H353	120.4
N318—Zn36—I312	106.9 (5)	C391—C392—C395	122 (3)
I404—Zn42—I403	126.6 (7)	C391—C392—C393	116 (3)
N335^iii—Zn42—I404	112.9 (8)	C393—C392—C395	121 (3)
N335^iii—Zn42—I403	99.0 (9)	C357—C358—H358	119.8
N305—Zn42—I404	105.0 (8)	C357—C358—C359	120 (2)
N305—Zn42—I403	110.3 (8)	C359—C358—H358	119.8
N305—Zn42—N335^iii	100.2 (10)	N336—C407—H407	119.5
I301—Zn31—I302	126.8 (4)	N336—C407—C406	121 (3)
N336^iv—Zn31—I302	108.1 (9)	C406—C407—H407	119.5
N336^iv—Zn31—I301	102.1 (8)	N305—C311—C310	125 (2)
N301—Zn31—I302	108.9 (9)	N305—C311—H311	117.6
N301—Zn31—I301	109.8 (8)	C310—C311—H311	117.6
N301—Zn31—N336^iv	96.8 (9)	C339—C340—H340	120.6
I317—Zn39—I318	121.8 (3)	C341—C340—C339	118.8 (19)
N330—Zn39—I318	108.1 (8)	C341—C340—H340	120.6
N330—Zn39—I317	109.0 (8)	C406—C405—C397	124 (3)
N331—Zn39—I318	104.4 (8)	C406—C405—C404	118 (3)
N331—Zn39—I317	111.7 (9)	C404—C405—C397	118 (3)
N331—Zn39—N330	99.6 (9)	C303—C302—H302	118.0
I405—Zn43—I406	120.2 (4)	C301—C302—H302	118.0
N306—Zn43—I405	111.2 (9)	C301—C302—C303	124 (3)
N306—Zn43—I406	107.3 (10)	N319—C355—H355	118.1
N307—Zn43—I405	107.0 (10)	C356—C355—N319	124 (2)
N307—Zn43—I406	111.2 (12)	C356—C355—H355	118.1
N307—Zn43—N306	97.7 (10)	C6A—C5A—C4A	119.1 (19)
C360—N321—C361	112.2 (19)	C6A—C5A—C13A	124 (2)
C362—N320—C360	115.8 (18)	C4A—C5A—C13A	117.1 (19)
C344—N314—C342	114.2 (14)	N334—C397—N332	127 (3)
C343—N315—C342	118.6 (15)	N334—C397—C405	115 (2)
C329—N311—Zn45^v	118.2 (13)	N332—C397—C405	117 (3)
C329—N311—C330	119 (2)	C387—C386—H386	120.5
C329—N311—Zn35^v	117.7 (13)	C387—C386—C385	119 (2)
C330—N311—Zn45^v	122.1 (16)	C385—C386—H386	120.5
C330—N311—Zn35^v	122.7 (16)	N323—C364—H364	119.1
C361—N322—C362	115 (2)	N323—C364—C1	122 (2)
C347—N317—Zn45	117.2 (14)	C1—C364—H364	119.1
C347—N317—Zn35	120.1 (13)	N330—C385—C386	120 (2)
C348—N317—Zn45	123.9 (13)	N330—C385—H385	119.8
C348—N317—C347	118.7 (17)	C386—C385—H385	119.8
C348—N317—Zn35	121.1 (12)	C374—C375—C376	118 (2)
C325—N310—C326	113.9 (19)	C374—C375—H375	120.8
C367—N324—Zn47	121.0 (14)	C376—C375—H375	120.8
C367—N324—C371	118.0 (18)	N329—C382—H382	119.1
C367—N324—Zn37	121.1 (14)	C381—C382—N329	122 (2)
C371—N324—Zn47	120.9 (16)	C381—C382—H382	119.1
C371—N324—Zn37	120.8 (16)	N306—C318—H318	121.3
C344—N316—C343	113.3 (14)	N306—C318—C317	117 (2)
C355—N319—Zn36	123.3 (17)	C317—C318—H318	121.3
C355—N319—Zn46	113.9 (18)	C387—C388—C389	125 (3)
C359—N319—Zn36	119 (2)	C387—C388—H388	117.5
C359—N319—C355	118 (3)	C389—C388—H388	117.5
C359—N319—Zn46	128 (2)	C327—C328—C329	120 (3)
C382—N329—Zn38	122.2 (15)	C327—C328—H328	119.8
C382—N329—Zn48	123.9 (17)	C329—C328—H328	119.8
C382—N329—Zn58	125 (3)	C2A—C3A—H3A	118.6
C383—N329—Zn38	122.5 (15)	C2A—C3A—C4A	123 (2)
C383—N329—C382	115.2 (18)	C4A—C3A—H3A	118.6
C383—N329—Zn48	120.6 (16)	C8A—C9A—H9A	120.1
C383—N329—Zn58	116 (2)	C10A—C9A—H9A	120.1
C337—N313—Zn34	124.3 (14)	C10A—C9A—C8A	120 (2)
C337—N313—C341	115.9 (17)	C322—C321—C324	120 (2)
C337—N313—Zn44	123.6 (14)	C322—C321—C320	120 (3)
C341—N313—Zn34	119.1 (14)	C320—C321—C324	120 (3)
C341—N313—Zn44	119.7 (14)	C5A—C4A—C3A	118.4 (19)
C379—N326—C377	116.8 (16)	C5A—C4A—C7A	123 (2)
C350—N318—Zn36	118.7 (13)	C3A—C4A—C7A	119 (2)
C350—N318—Zn46	106.1 (15)	C309—C313—H313	119.8
C354—N318—Zn36	123.0 (16)	C309—C313—C312	120 (2)
C354—N318—C350	118.2 (19)	C312—C313—H313	119.8
C354—N318—Zn46	135.0 (19)	N305—C312—C313	121 (2)
C378—N327—C377	118.6 (17)	N305—C312—H312	119.7
C396—N333—C395	115 (2)	C313—C312—H312	119.7
C306—N303—C307	119 (2)	C302—C303—C306	120 (3)
C379—N328—C378	112.8 (16)	C304—C303—C306	121 (3)
C307—N304—C308	115 (2)	C304—C303—C302	119 (2)
N321—C361—C363	114.2 (19)	C319—N307—Zn43	120 (2)
N322—C361—N321	126.5 (19)	C319—N307—Zn33	107 (2)
N322—C361—C363	119 (2)	C319—N307—Zn53	99 (3)
Zn38^vi—N323—Zn58^vi	14.8 (9)	C323—N307—Zn43	123 (3)
C365—N323—Zn38^vi	123.3 (17)	C323—N307—C319	117 (3)
C365—N323—C364	119 (2)	C323—N307—Zn33	135 (3)
C365—N323—Zn48^vi	128.7 (18)	C323—N307—Zn53	143 (3)
C365—N323—Zn58^vi	108.6 (19)	N333—C395—N332	125 (2)
C364—N323—Zn38^vi	116.3 (16)	N333—C395—C392	119 (3)
C364—N323—Zn48^vi	110.8 (17)	N332—C395—C392	116 (3)
C364—N323—Zn58^vi	130.1 (18)	C8A—C7A—C4A	122 (2)
Zn48^vi—N323—Zn58^vi	20.1 (10)	C12A—C7A—C4A	118 (2)
C351—C352—C344	121.5 (18)	C12A—C7A—C8A	119.4 (18)
C351—C352—C353	117.1 (19)	N335—C401—H401	122.0
C353—C352—C344	121.4 (18)	C402—C401—N335	116 (3)
C308—N302—C306	116 (2)	C402—C401—H401	122.0
N320—C362—N322	125 (2)	C363—C1—C364	119 (3)
N320—C362—C369	116.7 (19)	C363—C1—H1	120.5
N322—C362—C369	118 (2)	C364—C1—H1	120.5
C372—N325—Zn47	124.2 (15)	C407—C406—H406	119.2
C372—N325—Zn37	124.9 (15)	C405—C406—C407	122 (3)
C376—N325—Zn47	122.6 (14)	C405—C406—H406	119.2
C376—N325—C372	112.6 (19)	O2A—C8A—C9A	125 (2)
C376—N325—Zn37	122.0 (14)	O2A—C8A—C7A	115 (2)
C397—N334—C396	113 (2)	C9A—C8A—C7A	120.1 (19)
N314—C342—N315	120.2 (14)	N308—C324—N309	120 (2)
N314—C342—C339	119.6 (14)	N308—C324—C321	121 (2)
N315—C342—C339	120.1 (16)	N309—C324—C321	119 (2)
C338—C339—C342	123.1 (17)	C316—C317—C318	122 (3)
C338—C339—C340	117.3 (17)	C316—C317—H317	119.2
C340—C339—C342	119.6 (17)	C318—C317—H317	119.2
C401—N335—Zn42^vii	119 (2)	N307—C319—H319	121.6
C401—N335—Zn32^vii	121 (2)	N307—C319—C320	117 (3)
C401—N335—C500	119 (3)	C320—C319—H319	121.6
C401—N335—C400	116 (3)	N329—C383—C384	127 (2)
C500—N335—Zn42^vii	117.5 (17)	N329—C383—H383	116.4
C500—N335—Zn32^vii	115.0 (17)	C384—C383—H383	116.4
N326—C379—N328	126.0 (18)	C316—C315—H315	120.8
N326—C379—C387	121.4 (17)	C314—C315—C316	118 (3)
N328—C379—C387	112.6 (16)	C314—C315—H315	120.8
C331—C327—C325	120.5 (18)	N336—C403—H403	119.4
C331—C327—C328	118 (2)	N336—C403—C404	121 (3)
C328—C327—C325	122 (2)	C404—C403—H403	119.4
N314—C344—C352	114.1 (16)	N319—C359—C358	121 (3)
N316—C344—N314	128.0 (18)	N319—C359—H359	119.4
N316—C344—C352	117.6 (15)	C358—C359—H359	119.4
C366—C363—C361	119 (2)	N306—C314—C315	122 (4)
C366—C363—C1	118 (2)	N306—C314—H314	118.9
C1—C363—C361	122 (2)	C315—C314—H314	118.9
Zn31^viii—N336—Zn51^viii	35.7 (11)	C10A—C11A—H11A	120.3
C407—N336—Zn31^viii	118 (2)	C10A—C11A—C12A	119 (2)
C407—N336—C403	117 (2)	C12A—C11A—H11A	120.3
C407—N336—Zn41^viii	125 (2)	N331—C390—H390	118.3
C407—N336—Zn51^viii	151 (2)	N331—C390—C391	123 (4)
C403—N336—Zn31^viii	123 (2)	C391—C390—H390	118.3
C403—N336—Zn41^viii	116 (2)	C303—C304—H304	120.2
C403—N336—Zn51^viii	87 (2)	C303—C304—C305	120 (3)
C386—C387—C379	120.4 (19)	C305—C304—H304	120.2
C388—C387—C379	125 (2)	C392—C391—C390	120 (3)
C388—C387—C386	115 (2)	C392—C391—H391	119.8
C326—N308—C324	119 (2)	C390—C391—H391	119.8
N327—C378—N328	122.1 (16)	N301—C301—H301	121.6
N327—C378—C380	119.3 (18)	C302—C301—N301	117 (3)
N328—C378—C380	117.6 (16)	C302—C301—H301	121.6
N315—C343—N316	125.6 (15)	C394—C393—C392	114 (3)
N315—C343—C345	120.1 (18)	C394—C393—H393	122.8
N316—C343—C345	114.1 (16)	C392—C393—H393	122.8
C368—C369—C362	123 (2)	C9A—C10A—H10A	119.6
C368—C369—C370	116 (2)	C11A—C10A—C9A	121 (2)
C370—C369—C362	120 (2)	C11A—C10A—H10A	119.6
C301—N301—Zn31	120.8 (16)	O3A—C12A—C7A	115 (2)
C301—N301—Zn41	119.3 (17)	O3A—C12A—C11A	125 (2)
C301—N301—Zn51	102 (3)	C7A—C12A—C11A	120.4 (19)
C305—N301—Zn31	120 (3)	C405—C404—C403	119 (4)
C305—N301—C301	120 (3)	C405—C404—H404	120.3
C305—N301—Zn41	121 (3)	C403—C404—H404	120.3
C305—N301—Zn51	126 (3)	O1A—C13A—C5A	111 (2)
C318—N306—Zn43	125 (2)	O1A—C13A—H13A	109.3
C318—N306—Zn33	111 (2)	O1A—C13A—H13B	109.3
C318—N306—Zn53	105 (2)	C5A—C13A—H13A	109.3
C314—N306—Zn43	113 (3)	C5A—C13A—H13B	109.3
C314—N306—C318	123 (3)	H13A—C13A—H13B	108.0
C314—N306—Zn33	126 (3)	O2A—C14A—H14A	109.5
C314—N306—Zn53	131 (3)	O2A—C14A—H14B	109.5
N318—C350—H350	119.2	O2A—C14A—H14C	109.5
N318—C350—C351	121.7 (18)	H14A—C14A—H14B	109.5
C351—C350—H350	119.2	H14A—C14A—H14C	109.5
N310—C325—C327	117.9 (19)	H14B—C14A—H14C	109.5
N310—C325—N309	125.6 (18)	N307—C323—H323	115.8
N310—C325—I516^ix	88.2 (14)	N307—C323—C322	128 (4)
C327—C325—I516^ix	93.8 (13)	C322—C323—H323	115.8
N309—C325—C327	116.2 (17)	N301—C305—C304	119 (4)
N309—C325—I516^ix	82.9 (14)	N301—C305—H305	120.3
N326—C377—N327	123.0 (17)	C304—C305—H305	120.3
N326—C377—C374	119.0 (16)	C321—C322—H322	121.2
N327—C377—C374	118.0 (18)	C323—C322—C321	118 (3)
N321—C360—N320	125 (2)	C323—C322—H322	121.2
N321—C360—C357	118 (2)	C321—C320—C319	117 (3)
N320—C360—C357	116.8 (19)	C321—C320—H320	121.4
C336—N312—Zn34	120.6 (19)	C319—C320—H320	121.4
C336—N312—Zn44	120.8 (19)	C398—C499—H499	119.4
C336—N312—C332	117 (2)	C500—C499—C398	121 (3)
C336—N312—C432	113 (2)	C500—C499—H499	119.4
C332—N312—Zn34	118.0 (15)	C334—C333—H333	120.8
C432—N312—Zn44	120.6 (16)	C332—C333—C334	118 (3)
N313—C337—H337	118.2	C332—C333—H333	120.8
N313—C337—C338	124 (2)	N306—Zn33—I305	114.9 (10)
C338—C337—H337	118.2	N306—Zn33—I306	103.2 (9)
C311—N305—Zn42	123.8 (17)	N307—Zn33—N306	98.8 (10)
C311—N305—C312	117 (2)	N307—Zn33—I305	115.4 (12)
C311—N305—Zn32	123.3 (17)	N307—Zn33—I306	100.3 (11)
C312—N305—Zn42	118.1 (18)	I305—Zn33—I306	121.0 (5)
C312—N305—Zn32	119.2 (18)	N330—Zn49—I418	115.3 (10)
N323—C365—H365	118.4	N330—Zn49—I417	105.4 (9)
N323—C365—C366	123 (3)	N331—Zn49—N330	99.9 (10)
C366—C365—H365	118.4	N331—Zn49—I418	115.9 (11)
N324—C367—H367	118.9	N331—Zn49—I417	99.4 (9)
N324—C367—C368	122 (2)	I418—Zn49—I417	118.2 (6)
C368—C367—H367	118.9	N324—Zn37—I314	111.1 (7)
C397—N332—C395	113 (2)	N324—Zn37—I313	107.4 (7)
C389—N330—Zn39	114 (2)	N325—Zn37—N324	102.5 (7)
C389—N330—C385	119 (3)	N325—Zn37—I314	103.4 (6)
C389—N330—Zn49	129 (2)	N325—Zn37—I313	108.9 (7)
C389—N330—Zn59	139 (2)	I314—Zn37—I313	121.8 (4)
C385—N330—Zn39	127 (2)	N313—Zn44—N312	101.7 (8)
C385—N330—Zn49	111 (2)	N313—Zn44—I407	107.6 (6)
C385—N330—Zn59	100.0 (19)	N313—Zn44—I408	106.4 (7)
C363—C366—C365	118 (2)	N312—Zn44—I407	107.8 (6)
C363—C366—H366	121.0	N312—Zn44—I408	105.8 (7)
C365—C366—H366	121.0	I408—Zn44—I407	125.1 (5)
C339—C338—H338	119.4	N311^i—Zn35—N317	100.6 (7)
C337—C338—C339	121 (2)	N311^i—Zn35—I309	104.9 (6)
C337—C338—H338	119.4	N311^i—Zn35—I310	109.4 (6)
C348—C349—H349	119.3	N317—Zn35—I309	108.2 (6)
C345—C349—H349	119.3	N317—Zn35—I310	106.1 (6)
C345—C349—C348	121.4 (19)	I310—Zn35—I309	125.0 (5)
C356—C357—C360	119 (2)	N336^iv—Zn41—N301	98.5 (11)
C358—C357—C360	123 (2)	N336^iv—Zn41—I401	111.2 (11)
C358—C357—C356	116 (2)	N336^iv—Zn41—I402	111.8 (12)
C325—N309—C324	115.1 (19)	N301—Zn41—I401	103.0 (10)
C317—C316—C308	126 (3)	N301—Zn41—I402	98.6 (9)
C317—C316—C315	117 (2)	I402—Zn41—I401	127.8 (9)
C315—C316—C308	117 (2)	N335^iii—Zn32—N305	103.1 (10)
N318—C354—H354	118.1	N335^iii—Zn32—I303	112.2 (9)
N318—C354—C353	124 (2)	N335^iii—Zn32—I304	105.8 (8)
C353—C354—H354	118.1	N305—Zn32—I303	100.6 (7)
C347—C346—H346	121.1	N305—Zn32—I304	109.7 (7)
C347—C346—C345	117.7 (16)	I304—Zn32—I303	123.7 (6)
C345—C346—H346	121.1	N306—Zn53—I505	110 (2)
C12A—O3A—C15A	116 (3)	N306—Zn53—I506	103 (2)
C327—C331—H331	118.9	N307—Zn53—N306	100 (2)
C327—C331—C330	122 (2)	N307—Zn53—I505	119 (3)
C330—C331—H331	118.9	N307—Zn53—I506	87 (2)
C326—C334—C333	118 (3)	I505—Zn53—I506	131.2 (19)
C326—C334—C433	122 (3)	N330—Zn59—I518	116.9 (19)
C335—C334—C326	128 (2)	N330—Zn59—I517	92.2 (14)
C335—C334—C333	111 (2)	N331—Zn59—N330	96.3 (15)
C335—C334—C433	102 (3)	N331—Zn59—I518	131 (2)
N324—C371—H371	121.6	N331—Zn59—I517	84.4 (14)
C370—C371—N324	117 (2)	I517—Zn59—I518	126.1 (14)
C370—C371—H371	121.6	N336^iv—Zn51—I501	133 (2)
C402—C398—C396	122 (3)	N336^iv—Zn51—I502	83.8 (19)
C402—C398—C499	118 (3)	N301—Zn51—N336^iv	90.4 (19)
C402—C398—C399	108 (3)	N301—Zn51—I501	124 (3)
C499—C398—C396	118 (2)	N301—Zn51—I502	95.6 (18)
C399—C398—C396	117 (2)	I502—Zn51—I501	119 (2)
C352—C351—C350	120 (2)	O3A—C15A—H15A	109.5
C352—C351—H351	120.0	O3A—C15A—H15B	109.5
C350—C351—H351	120.0	O3A—C15A—H15C	109.5
N310—C326—C334	115 (2)	H15A—C15A—H15B	109.5
N308—C326—N310	126 (2)	H15A—C15A—H15C	109.5
N308—C326—C334	119 (2)	H15B—C15A—H15C	109.5
C372—C373—H373	120.3	N329—Zn48—I415	106.2 (9)
C372—C373—C374	119 (2)	N329—Zn48—I416	105.3 (10)
C374—C373—H373	120.3	N323^ii—Zn48—N329	103.0 (12)
N325—C372—H372	117.3	N323^ii—Zn48—I415	108.6 (11)
C373—C372—N325	125 (2)	N323^ii—Zn48—I416	101.4 (10)
C373—C372—H372	117.3	I416—Zn48—I415	129.6 (10)
N317—C347—C346	122 (2)	N329—Zn58—N323^ii	90 (3)
N317—C347—H347	119.2	N329—Zn58—I516	151 (3)
C346—C347—H347	119.2	N329—Zn58—I515	98.1 (17)
C373—C374—C377	120.9 (19)	N323^ii—Zn58—I516	95 (3)
C375—C374—C377	120.9 (19)	N323^ii—Zn58—I515	95 (3)
C375—C374—C373	118 (2)	I516—Zn58—I515	109.3 (19)
N304—C308—C316	115 (3)	N319—Zn46—N318	103.0 (11)
N302—C308—N304	124 (2)	N319—Zn46—I412	106.1 (15)
N302—C308—C316	121 (2)	N319—Zn46—I411	108.8 (15)
C369—C368—C367	123 (3)	N318—Zn46—I412	105.7 (15)
C369—C368—H368	118.5	N318—Zn46—I411	111.4 (15)
C367—C368—H368	118.5	I412—Zn46—I411	120.4 (15)
N317—C348—C349	122.4 (16)	N312—C332—H332	118.6
N317—C348—H348	118.8	C333—C332—N312	123 (3)
C349—C348—H348	118.8	C333—C332—H332	118.6
C357—C356—H356	120.2	N335—C500—H500	121.8
C355—C356—C357	120 (2)	C499—C500—N335	116 (3)
C355—C356—H356	120.2	C499—C500—H500	121.8
C380—C381—H381	117.6	C334—C433—H433	119.7
C380—C381—C382	125 (2)	C432—C433—C334	121 (3)
C382—C381—H381	117.6	C432—C433—H433	119.7
C349—C345—C343	126 (2)	N312—C432—H432	119.6
C349—C345—C346	118.3 (16)	C433—C432—N312	121 (3)
C346—C345—C343	115.7 (16)	C433—C432—H432	119.6
N325—C376—H376	117.1	C398—C399—H399	120.8
N325—C376—C375	125.8 (19)	C400—C399—C398	118 (3)
C375—C376—H376	117.1	C400—C399—H399	120.8
C394—N331—Zn39	125 (2)	N335—C400—H400	121.4
C394—N331—Zn49	111 (2)	C399—C400—N335	117 (3)
C394—N331—Zn59	96 (2)	C399—C400—H400	121.4
C390—N331—Zn39	118 (3)	H80A—C803—H80B	108.0
C390—N331—C394	117 (3)	C802—C803—H80A	109.3
C390—N331—Zn49	132 (3)	C802—C803—H80B	109.3
C390—N331—Zn59	146 (3)	C802—C803—C804	111 (2)
C8A—O2A—C14A	116 (3)	C804—C803—H80A	109.3
C369—C370—C371	123 (2)	C804—C803—H80B	109.3
C369—C370—H370	118.3	C803—C802—H80C	109.1
C371—C370—H370	118.3	C803—C802—H80D	109.1
C13A—O1A—H1A	109.5	H80C—C802—H80D	107.9
C309—C310—H310	121.6	C801—C802—C803	112 (2)
C309—C310—C311	117 (2)	C801—C802—H80C	109.1
C311—C310—H310	121.6	C801—C802—H80D	109.1
C381—C380—C378	127.7 (19)	C802—C801—H80E	109.4
C381—C380—C384	115.8 (18)	C802—C801—H80F	109.4
C384—C380—C378	116.3 (18)	C802—C801—C806	111 (2)
C380—C384—H384	122.7	H80E—C801—H80F	108.0
C383—C384—C380	115 (2)	C806—C801—H80E	109.4
C383—C384—H384	122.7	C806—C801—H80F	109.4
C2A—C1A—H1AA	119.3	C801—C806—H80G	109.4
C2A—C1A—C6A	121 (2)	C801—C806—H80H	109.4
C6A—C1A—H1AA	119.3	C801—C806—C805	111 (2)
N311—C329—H329	119.1	H80G—C806—H80H	108.0
N311—C329—C328	122 (2)	C805—C806—H80G	109.4
C328—C329—H329	119.1	C805—C806—H80H	109.4
C310—C309—C307	118 (2)	C806—C805—H80I	109.5
C313—C309—C310	120 (3)	C806—C805—H80J	109.5
C313—C309—C307	121 (2)	C806—C805—C804	111 (2)
N331—C394—H394	116.6	H80I—C805—H80J	108.0
N331—C394—C393	127 (3)	C804—C805—H80I	109.5
C393—C394—H394	116.6	C804—C805—H80J	109.5
N312—C336—H336	122.3	C803—C804—H80K	109.6
N312—C336—C335	115 (3)	C803—C804—H80L	109.6
C335—C336—H336	122.3	C805—C804—C803	110 (2)
N333—C396—N334	127 (2)	C805—C804—H80K	109.6
N333—C396—C398	117 (2)	C805—C804—H80L	109.6
N334—C396—C398	116 (2)	H80K—C804—H80L	108.1
N311—C330—C331	119 (2)
Zn45^v—N311—C329—C328	−173 (2)	C396—C398—C402—C401	−175 (3)
Zn45^v—N311—C330—C331	171.6 (14)	C396—C398—C499—C500	179 (4)
Zn45—N317—C347—C346	174 (2)	C396—C398—C399—C400	169 (4)
Zn45—N317—C348—C349	−173 (2)	C330—N311—C329—C328	−1 (4)
Zn34—N313—C337—C338	−171.0 (19)	C341—N313—C337—C338	−1 (4)
Zn34—N313—C341—C340	176 (2)	C2A—C1A—C6A—C5A	1 (5)
Zn34—N312—C336—C335	178.0 (18)	C2A—C3A—C4A—C5A	4 (5)
Zn34—N312—C332—C333	−179 (3)	C2A—C3A—C4A—C7A	−179 (3)
Zn38—N329—C382—C381	172 (2)	C389—N330—C385—C386	−4 (4)
Zn38—N329—C383—C384	−169 (3)	C402—C398—C396—N333	−166 (3)
Zn38^vi—N323—C365—C366	173.8 (15)	C402—C398—C396—N334	17 (4)
Zn38^vi—N323—C364—C1	−176 (2)	C402—C398—C499—C500	12 (7)
Zn47—N324—C367—C368	−173.6 (17)	C402—C398—C399—C400	−48 (6)
Zn47—N324—C371—C370	173.2 (18)	C306—N303—C307—N304	7 (4)
Zn47—N325—C372—C373	−171 (2)	C306—N303—C307—C309	−174 (2)
Zn47—N325—C376—C375	171 (2)	C306—N302—C308—N304	1 (4)
Zn36—N319—C355—C356	−178.5 (19)	C306—N302—C308—C316	−173 (2)
Zn36—N319—C359—C358	−179 (2)	C306—C303—C304—C305	−176 (4)
Zn36—N318—C350—C351	−178.3 (18)	C6A—C1A—C2A—C3A	1 (4)
Zn36—N318—C354—C353	180 (2)	C6A—C5A—C4A—C3A	−2 (6)
Zn42^vii—N335—C401—C402	−180 (2)	C6A—C5A—C4A—C7A	−179 (3)
Zn42^vii—N335—C500—C499	−178 (4)	C6A—C5A—C13A—O1A	17 (5)
Zn42—N305—C311—C310	−172 (2)	C335—C334—C326—N310	15 (4)
Zn42—N305—C312—C313	172 (3)	C335—C334—C326—N308	−165 (3)
Zn31^viii—N336—C407—C406	172.9 (19)	C335—C334—C333—C332	11 (5)
Zn31^viii—N336—C403—C404	−177 (2)	C335—C334—C433—C432	−35 (7)
Zn31—N301—C301—C302	164 (2)	C307—N303—C306—N302	−4 (4)
Zn31—N301—C305—C304	−165 (3)	C307—N303—C306—C303	−179 (2)
Zn39—N330—C389—C388	−179 (2)	C307—N304—C308—N302	1 (4)
Zn39—N330—C385—C386	177.8 (17)	C307—N304—C308—C316	176 (2)
Zn39—N331—C394—C393	−167 (3)	C307—C309—C313—C312	177 (3)
Zn39—N331—C390—C391	178 (4)	C353—C352—C344—N314	172 (2)
Zn43—N306—C318—C317	−179.6 (18)	C353—C352—C344—N316	−14 (3)
Zn43—N306—C314—C315	−173 (3)	C353—C352—C351—C350	2 (4)
Zn43—N307—C319—C320	−169 (3)	C358—C357—C356—C355	−9 (4)
Zn43—N307—C323—C322	−179 (4)	C407—N336—C403—C404	−15 (5)
N321—C361—C363—C366	−174.0 (18)	C311—N305—C312—C313	3 (5)
N321—C361—C363—C1	9 (3)	C311—C310—C309—C307	−177 (2)
N321—C360—C357—C356	−27 (3)	C311—C310—C309—C313	−7 (4)
N321—C360—C357—C358	163 (2)	C340—C339—C338—C337	1 (3)
N320—C362—C369—C368	−8 (3)	C302—C303—C304—C305	4 (6)
N320—C362—C369—C370	177.8 (19)	C355—N319—C359—C358	2 (5)
N320—C360—C357—C356	157 (2)	C5A—C4A—C7A—C8A	107 (4)
N320—C360—C357—C358	−13 (3)	C5A—C4A—C7A—C12A	−76 (4)
N314—C342—C339—C338	173.5 (19)	C397—N334—C396—N333	−1 (4)
N314—C342—C339—C340	−3 (3)	C397—N334—C396—C398	175 (2)
N315—C342—C339—C338	−11 (3)	C397—N332—C395—N333	0 (4)
N315—C342—C339—C340	172 (2)	C397—N332—C395—C392	177 (2)
N315—C343—C345—C349	180 (100)	C397—C405—C406—C407	−172 (2)
N315—C343—C345—C346	1 (3)	C397—C405—C404—C403	168 (3)
N311—C329—C328—C327	2 (4)	C386—C387—C388—C389	−7 (4)
N322—C361—C363—C366	−3 (3)	C364—N323—C365—C366	9 (3)
N322—C361—C363—C1	−180 (2)	C385—N330—C389—C388	3 (4)
N322—C362—C369—C368	176.3 (19)	C382—N329—C383—C384	8 (6)
N322—C362—C369—C370	2 (3)	C382—C381—C380—C378	−176 (3)
N310—C325—N309—C324	0 (3)	C382—C381—C380—C384	−1 (4)
N324—C367—C368—C369	5 (4)	C318—N306—C314—C315	9 (5)
N324—C371—C370—C369	−4 (4)	C388—C387—C386—C385	5 (4)
N316—C343—C345—C349	5 (4)	C328—C327—C325—N310	−170 (2)
N316—C343—C345—C346	−174 (2)	C328—C327—C325—N309	16 (3)
N313—C337—C338—C339	−2 (4)	C328—C327—C325—I516^ix	100 (2)
N313—C341—C340—C339	−7 (4)	C328—C327—C331—C330	1 (3)
N326—C379—C387—C386	−8 (3)	C3A—C4A—C7A—C8A	−70 (4)
N326—C379—C387—C388	169 (3)	C3A—C4A—C7A—C12A	107 (3)
N326—C377—C374—C373	176 (2)	C4A—C5A—C13A—O1A	−163 (3)
N326—C377—C374—C375	−3 (3)	C4A—C7A—C8A—O2A	−3 (3)
N318—C350—C351—C352	−1 (4)	C4A—C7A—C8A—C9A	178 (3)
N318—C354—C353—C352	−2 (4)	C4A—C7A—C12A—O3A	2 (3)
N327—C378—C380—C381	−12 (4)	C4A—C7A—C12A—C11A	−178 (3)
N327—C378—C380—C384	173 (2)	C313—C309—C307—N303	−177 (3)
N327—C377—C374—C373	−3 (3)	C313—C309—C307—N304	2 (4)
N327—C377—C374—C375	178 (2)	C312—N305—C311—C310	−4 (4)
N303—C306—C303—C302	−4 (4)	C303—C302—C301—N301	10 (5)
N303—C306—C303—C304	176 (3)	C303—C304—C305—N301	−9 (7)
N328—C379—C387—C386	171 (2)	N307—C319—C320—C321	−9 (5)
N328—C379—C387—C388	−13 (4)	N307—C323—C322—C321	−16 (8)
N328—C378—C380—C381	179 (2)	C395—N333—C396—N334	2 (4)
N328—C378—C380—C384	4 (3)	C395—N333—C396—C398	−175 (2)
C361—N321—C360—N320	−3 (3)	C395—N332—C397—N334	1 (4)
C361—N321—C360—C357	−178.9 (16)	C395—N332—C397—C405	173 (2)
C361—N322—C362—N320	4 (3)	C395—C392—C391—C390	−175 (4)
C361—N322—C362—C369	179.0 (17)	C395—C392—C393—C394	−175 (3)
C361—C363—C366—C365	−171.0 (17)	C401—N335—C500—C499	−22 (6)
C361—C363—C1—C364	169 (2)	C401—N335—C400—C399	16 (7)
N323—C365—C366—C363	−7 (3)	C1—C363—C366—C365	6 (3)
N323—C364—C1—C363	10 (5)	C406—C405—C397—N334	1 (4)
N302—C306—C303—C302	−179 (2)	C406—C405—C397—N332	−171 (3)
N302—C306—C303—C304	1 (4)	C406—C405—C404—C403	−8 (5)
C362—N320—C360—N321	3 (3)	C8A—C9A—C10A—C11A	2 (3)
C362—N320—C360—C357	178.3 (17)	C8A—C7A—C12A—O3A	179 (2)
C362—N322—C361—N321	−5 (3)	C8A—C7A—C12A—C11A	−1 (3)
C362—N322—C361—C363	−174.9 (16)	C324—N308—C326—N310	6 (4)
C362—C369—C368—C367	176 (2)	C324—N308—C326—C334	−175 (2)
C362—C369—C370—C371	−176 (2)	C324—C321—C322—C323	−170 (4)
N325—C376—C375—C374	−2 (4)	C324—C321—C320—C319	−178 (3)
C342—N314—C344—N316	0 (3)	C317—C316—C308—N304	−8 (4)
C342—N314—C344—C352	173.0 (16)	C317—C316—C308—N302	166 (3)
C342—N315—C343—N316	−2 (4)	C317—C316—C315—C314	6 (5)
C342—N315—C343—C345	−176.9 (19)	C319—N307—C323—C322	1 (8)
C342—C339—C338—C337	−175 (2)	C319—N307—Zn53—N306	−133 (3)
C342—C339—C340—C341	180 (2)	C319—N307—Zn53—I505	−12 (4)
C379—N326—C377—N327	−5 (3)	C319—N307—Zn53—I506	125 (3)
C379—N326—C377—C374	177.0 (19)	C383—N329—C382—C381	−4 (4)
C379—N328—C378—N327	2 (3)	C315—C316—C308—N304	179 (3)
C379—N328—C378—C380	170.3 (19)	C315—C316—C308—N302	−7 (4)
C379—C387—C386—C385	−178 (2)	C315—C316—C317—C318	0 (4)
C379—C387—C388—C389	177 (3)	C403—N336—C407—C406	10 (4)
C327—C325—N309—C324	173.6 (19)	C359—N319—C355—C356	0 (4)
C327—C331—C330—N311	0 (3)	C314—N306—C318—C317	−2 (4)
C344—N314—C342—N315	0 (3)	C390—N331—C394—C393	8 (6)
C344—N314—C342—C339	175.7 (17)	C391—C392—C395—N333	−11 (4)
C344—N316—C343—N315	2 (3)	C391—C392—C395—N332	171 (3)
C344—N316—C343—C345	177.0 (18)	C391—C392—C393—C394	−5 (4)
C344—C352—C351—C350	−176 (2)	C301—N301—C305—C304	14 (7)
C344—C352—C353—C354	177 (2)	C301—C302—C303—C306	175 (3)
N336—C407—C406—C405	−4 (4)	C301—C302—C303—C304	−5 (5)
N336—C403—C404—C405	15 (5)	C393—C392—C395—N333	159 (3)
C387—C386—C385—N330	0 (4)	C393—C392—C395—N332	−19 (4)
C378—N327—C377—N326	9 (3)	C393—C392—C391—C390	15 (6)
C378—N327—C377—C374	−172 (2)	C10A—C9A—C8A—O2A	−180 (3)
C378—N328—C379—N326	3 (3)	C10A—C9A—C8A—C7A	−0.8 (19)
C378—N328—C379—C387	−175.2 (18)	C10A—C11A—C12A—O3A	−178 (3)
C378—C380—C384—C383	179 (3)	C10A—C11A—C12A—C7A	2 (3)
C343—N315—C342—N314	1 (3)	C12A—C7A—C8A—O2A	180 (3)
C343—N315—C342—C339	−174 (2)	C12A—C7A—C8A—C9A	1 (3)
C343—N316—C344—N314	−1 (3)	C12A—C11A—C10A—C9A	−2 (3)
C343—N316—C344—C352	−173.8 (18)	C404—C405—C397—N334	−174 (3)
N306—C318—C317—C316	−2 (4)	C404—C405—C397—N332	13 (4)
C350—N318—C354—C353	4 (4)	C404—C405—C406—C407	3 (4)
C325—N310—C326—N308	−2 (3)	C13A—C5A—C4A—C3A	178 (3)
C325—N310—C326—C334	178.7 (19)	C13A—C5A—C4A—C7A	1 (5)
C325—C327—C331—C330	−173.2 (19)	C14A—O2A—C8A—C9A	4 (4)
C325—C327—C328—C329	172 (2)	C14A—O2A—C8A—C7A	−175 (3)
C325—N309—C324—N308	4 (3)	C323—N307—C319—C320	11 (6)
C325—N309—C324—C321	175 (2)	C323—N307—Zn53—N306	32 (6)
C377—N326—C379—N328	−2 (3)	C323—N307—Zn53—I505	152 (5)
C377—N326—C379—C387	176 (2)	C323—N307—Zn53—I506	−71 (6)
C377—N327—C378—N328	−7 (3)	C305—N301—C301—C302	−15 (5)
C377—N327—C378—C380	−176 (2)	C322—C321—C324—N308	−18 (5)
C377—C374—C375—C376	−178 (2)	C322—C321—C324—N309	171 (3)
C360—N321—C361—N322	5 (3)	C322—C321—C320—C319	−5 (5)
C360—N321—C361—C363	175.0 (15)	C320—C321—C324—N308	155 (3)
C360—N320—C362—N322	−3 (3)	C320—C321—C324—N309	−16 (4)
C360—N320—C362—C369	−177.9 (16)	C320—C321—C322—C323	17 (6)
C360—C357—C356—C355	−179 (2)	C499—C398—C396—N333	27 (4)
C360—C357—C358—C359	−179 (3)	C499—C398—C396—N334	−150 (4)
N312—C336—C335—C334	−7 (5)	C499—C398—C402—C401	−9 (5)
C337—N313—C341—C340	6 (4)	C333—C334—C326—N310	−146 (3)
C365—N323—C364—C1	−11 (4)	C333—C334—C326—N308	34 (3)
C367—N324—C371—C370	−2 (3)	C333—C334—C335—C336	−11 (5)
N330—C389—C388—C387	3 (5)	Zn33—N306—C318—C317	−177.1 (19)
C366—C363—C1—C364	−7 (4)	Zn33—N306—C314—C315	−177 (3)
C338—C339—C340—C341	3 (4)	Zn33—N307—C319—C320	−176 (3)
C357—C356—C355—N319	3 (4)	Zn33—N307—C323—C322	−168 (4)
C357—C358—C359—N319	−8 (5)	Zn49—N330—C389—C388	177 (2)
C316—C315—C314—N306	−11 (5)	Zn49—N330—C385—C386	−179 (100)
C354—N318—C350—C351	−2 (4)	Zn49—N331—C394—C393	−176 (3)
C331—C327—C325—N310	4 (3)	Zn49—N331—C390—C391	−172 (3)
C331—C327—C325—N309	−169.5 (19)	Zn37—N324—C367—C368	−173.7 (17)
C331—C327—C325—I516^ix	−85.6 (19)	Zn37—N324—C371—C370	173.3 (18)
C331—C327—C328—C329	−2 (3)	Zn37—N325—C372—C373	−171 (2)
C334—C333—C332—N312	5 (6)	Zn37—N325—C376—C375	172 (2)
C334—C433—C432—N312	6 (9)	Zn44—N313—C337—C338	−170.3 (18)
C371—N324—C367—C368	1 (3)	Zn44—N313—C341—C340	175 (2)
C398—C402—C401—N335	−10 (5)	Zn44—N312—C336—C335	177.8 (18)
C398—C499—C500—N335	3 (8)	Zn44—N312—C432—C433	−178 (5)
C398—C399—C400—N335	21 (8)	Zn35^v—N311—C329—C328	−173 (2)
C351—C352—C344—N314	−10 (3)	Zn35^v—N311—C330—C331	171.9 (14)
C351—C352—C344—N316	164 (2)	Zn35—N317—C347—C346	177 (2)
C351—C352—C353—C354	−1 (4)	Zn35—N317—C348—C349	−176 (2)
C326—N310—C325—C327	−174.7 (17)	Zn41^viii—N336—C407—C406	173.7 (18)
C326—N310—C325—N309	−1 (3)	Zn41^viii—N336—C403—C404	180 (2)
C326—N310—C325—I516^ix	−81.4 (16)	Zn41—N301—C301—C302	172 (2)
C326—N308—C324—N309	−7 (4)	Zn41—N301—C305—C304	−173 (3)
C326—N308—C324—C321	−178 (2)	Zn32^vii—N335—C401—C402	−179 (2)
C326—C334—C335—C336	−173 (3)	Zn32^vii—N335—C400—C399	174 (4)
C326—C334—C333—C332	175 (3)	Zn32—N305—C311—C310	−176 (2)
C326—C334—C433—C432	173 (5)	Zn32—N305—C312—C313	176 (2)
C373—C374—C375—C376	3 (4)	Zn53—N306—C318—C317	−170 (3)
C372—N325—C376—C375	0 (4)	Zn53—N306—C314—C315	173 (3)
C372—C373—C374—C377	178 (2)	Zn53—N307—C319—C320	−179 (3)
C372—C373—C374—C375	−3 (4)	Zn53—N307—C323—C322	−162 (5)
C347—N317—C348—C349	1 (4)	Zn59—N330—C389—C388	163 (3)
C347—C346—C345—C343	−180 (2)	Zn59—N330—C385—C386	−171 (2)
C347—C346—C345—C349	1 (4)	Zn59—N331—C394—C393	177 (3)
C374—C373—C372—N325	1 (4)	Zn59—N331—C390—C391	−157 (4)
C308—N304—C307—N303	−5 (3)	Zn51^viii—N336—C407—C406	153 (4)
C308—N304—C307—C309	175 (2)	Zn51^viii—N336—C403—C404	−178 (3)
C308—N302—C306—N303	0 (4)	Zn51—N301—C301—C302	−160 (3)
C308—N302—C306—C303	176 (2)	Zn51—N301—C305—C304	150 (4)
C308—C316—C317—C318	−173 (3)	C15A—O3A—C12A—C7A	−177 (3)
C308—C316—C315—C314	−180 (3)	C15A—O3A—C12A—C11A	3 (4)
C368—C369—C370—C371	9 (3)	Zn48—N329—C382—C381	−179 (2)
C348—N317—C347—C346	0 (4)	Zn48—N329—C383—C384	−177 (3)
C348—C349—C345—C343	−179 (2)	Zn48^vi—N323—C365—C366	171.7 (16)
C348—C349—C345—C346	0 (4)	Zn48^vi—N323—C364—C1	−176 (2)
C356—C357—C358—C359	11 (4)	I516^ix—C325—N309—C324	83 (2)
C381—C380—C384—C383	3 (4)	Zn58—N329—C382—C381	152 (3)
C345—C349—C348—N317	−1 (4)	Zn58—N329—C383—C384	−151 (4)
C345—C346—C347—N317	−1 (4)	Zn58^vi—N323—C365—C366	172.5 (19)
C376—N325—C372—C373	1 (4)	Zn58^vi—N323—C364—C1	−170 (3)
N331—C394—C393—C392	−7 (5)	Zn46—N319—C355—C356	170 (2)
N331—C390—C391—C392	−14 (7)	Zn46—N319—C359—C358	−167 (3)
C370—C369—C368—C367	−10 (3)	Zn46—N318—C350—C351	−174 (2)
C310—C309—C307—N303	−7 (3)	Zn46—N318—C354—C353	173 (2)
C310—C309—C307—N304	172 (2)	C332—N312—C336—C335	23 (4)
C310—C309—C313—C312	7 (5)	C500—N335—C401—C402	25 (5)
C380—C381—C382—N329	1 (5)	C433—C334—C326—N310	158 (4)
C380—C384—C383—N329	−8 (6)	C433—C334—C326—N308	−21 (5)
C1A—C2A—C3A—C4A	−3 (5)	C433—C334—C335—C336	38 (4)
C1A—C6A—C5A—C4A	0 (5)	C432—N312—C336—C335	−29 (4)
C1A—C6A—C5A—C13A	180 (3)	C399—C398—C396—N333	−28 (4)
C329—N311—C330—C331	0 (3)	C399—C398—C396—N334	155 (3)
C309—C310—C311—N305	6 (5)	C399—C398—C402—C401	43 (5)
C309—C313—C312—N305	−5 (5)	C400—N335—C401—C402	−21 (5)
C394—N331—C390—C391	2 (7)	C803—C802—C801—C806	53 (5)
C336—N312—C332—C333	−24 (5)	C802—C803—C804—C805	56 (5)
C336—N312—C432—C433	29 (7)	C802—C801—C806—C805	−55 (5)
C396—N333—C395—N332	−1 (4)	C801—C806—C805—C804	57 (5)
C396—N333—C395—C392	−179 (2)	C806—C805—C804—C803	−57 (5)
C396—N334—C397—N332	−1 (4)	C804—C803—C802—C801	−54 (6)
C396—N334—C397—C405	−172 (2)

Symmetry codes: (i) x, −y+1, z+1/2; (ii) x, −y, z+1/2; (iii) x−1/2, y+3/2, z−1; (iv) x−1/2, −y+1/2, z−1/2; (v) x, −y+1, z−1/2; (vi) x, −y, z−1/2; (vii) x+1/2, y−3/2, z+1; (viii) x+1/2, −y+1/2, z+1/2; (ix) −x+1, y, −z+3/2.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (25_10_24b)

Crystal data

C108H72I18N36Zn9·0.502(C15H16O3)	F(000) = 18091
Mr = 4869.29	Dx = 1.346 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 78.288 (6) Å	Cell parameters from 5360 reflections
b = 14.9666 (7) Å	θ = 2.3–60.2°
c = 41.6314 (19) Å	µ = 19.42 mm^−1
β = 99.913 (6)°	T = 100 K
V = 48051 (5) Å^3	Block, light yellow
Z = 8	0.2 × 0.08 × 0.04 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	43965 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	23904 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.222
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.2°
profile data from ω–scans	h = −94→94
Absorption correction: analytical CrysAlisPro 1.171.41.122a (Rigaku Oxford Diffraction, 2021) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −17→18
Tmin = 0.048, Tmax = 0.510	l = −50→49
325146 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.164	H-atom parameters constrained
wR(F^2) = 0.491	w = 1/[σ^2(Fo^2) + (0.2253P)^2 + 2303.6001P] where P = (Fo^2 + 2Fc^2)/3
S = 1.03	(Δ/σ)max = 0.001
43965 reflections	Δρmax = 1.79 e Å^−3
1941 parameters	Δρmin = −1.20 e Å^−3
532 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I306	0.37882 (7)	−0.3986 (4)	0.40001 (14)	0.082 (3)	0.56 (3)
I307	0.39774 (5)	0.4756 (2)	0.59062 (8)	0.0752 (15)	0.662 (18)
I318	0.04837 (6)	1.3871 (4)	0.21412 (15)	0.0875 (14)	0.624
I303	0.41302 (4)	−0.49503 (11)	0.73979 (5)	0.0922 (7)	0.8198
I317	0.10025 (13)	1.4814 (4)	0.26295 (18)	0.156 (4)	0.624
I305	0.43316 (9)	−0.5005 (4)	0.43339 (10)	0.090 (3)	0.56 (3)
I316	0.08020 (8)	0.5071 (3)	0.05447 (14)	0.0982 (16)	0.5128
I309	0.24682 (11)	0.0197 (5)	0.3966 (2)	0.101 (3)	0.52 (3)
I308	0.39328 (7)	0.3939 (2)	0.48728 (8)	0.0889 (15)	0.662 (18)
I312	0.21722 (6)	0.1056 (3)	0.05819 (10)	0.0996 (10)	0.6974
I304	0.36450 (4)	−0.3401 (2)	0.74363 (6)	0.1022 (8)	0.8198
I313	0.23035 (3)	0.98889 (14)	0.25226 (8)	0.0974 (10)	0.783 (6)
I311	0.27148 (8)	0.0176 (2)	0.09963 (9)	0.1093 (12)	0.6974
I310	0.19774 (7)	0.1661 (7)	0.4055 (2)	0.105 (3)	0.52 (3)
I301	0.55942 (6)	−0.0334 (3)	0.94686 (9)	0.0852 (10)	0.5937
I314	0.22847 (4)	0.91651 (17)	0.14851 (8)	0.1075 (11)	0.783 (6)
I302	0.55912 (6)	−0.0361 (2)	0.84103 (9)	0.0828 (9)	0.5937
Zn39	0.07827 (12)	1.3584 (5)	0.24628 (19)	0.0835 (11)	0.624
Zn38	0.06380 (10)	0.6524 (6)	0.0564 (2)	0.070 (4)	0.5128
Zn33	0.40977 (15)	−0.3815 (8)	0.4246 (3)	0.080 (4)	0.56 (3)
Zn35	0.22881 (14)	0.1584 (7)	0.3954 (2)	0.0892 (13)	0.52 (3)
Zn32	0.39610 (6)	−0.3504 (2)	0.73839 (9)	0.0801 (12)	0.8198
Zn36	0.24741 (12)	0.1314 (5)	0.08584 (13)	0.0771 (18)	0.6974
Zn34	0.38398 (9)	0.3796 (4)	0.54209 (15)	0.083 (2)	0.662 (18)
Zn37	0.21814 (6)	0.8961 (2)	0.20238 (13)	0.0787 (12)	0.783 (6)
Zn31	0.54811 (8)	−0.0943 (4)	0.89132 (14)	0.0670 (17)	0.5937
N330	0.0896 (3)	1.2570 (11)	0.2219 (4)	0.071 (5)
N304	0.4315 (3)	−0.0159 (9)	0.8469 (4)	0.089 (7)
N334	0.0570 (3)	1.0566 (9)	0.4228 (3)	0.064 (5)
N333	0.0587 (3)	1.0588 (9)	0.3660 (3)	0.071 (5)
N321	0.2326 (3)	0.3061 (9)	0.2360 (3)	0.064 (5)
N303	0.4599 (4)	0.0354 (12)	0.8716 (6)	0.093 (7)
N326	0.1310 (3)	1.0275 (11)	0.1904 (3)	0.063 (5)
N308	0.3946 (3)	−0.0703 (9)	0.6018 (4)	0.079 (6)
N312	0.3871 (3)	0.2417 (13)	0.5540 (5)	0.083 (6)
N332	0.0648 (3)	1.1888 (9)	0.3975 (3)	0.067 (5)
N324	0.2201 (3)	0.7559 (12)	0.2140 (5)	0.085 (6)
N329	0.0787 (4)	0.7361 (12)	0.0902 (4)	0.085 (7)
N335	0.0507 (3)	0.7353 (13)	0.3887 (5)	0.093 (7)
C380	0.1139 (3)	1.0359 (11)	0.1849 (4)	0.061 (6)
N325	0.1911 (3)	0.9127 (13)	0.1988 (6)	0.096 (7)
N309	0.4014 (3)	−0.2083 (12)	0.5789 (5)	0.094 (7)
N327	0.1277 (3)	0.8985 (12)	0.1583 (4)	0.074 (5)
N311	0.4094 (4)	−0.3080 (11)	0.4668 (4)	0.097 (6)
C308	0.4401 (4)	−0.0862 (13)	0.8356 (5)	0.080 (7)
N322	0.2275 (3)	0.4312 (11)	0.2028 (4)	0.070 (5)
N328	0.1024 (3)	0.9786 (11)	0.1657 (4)	0.077 (6)
N315	0.2972 (3)	0.5212 (12)	0.5301 (5)	0.077 (6)
N318	0.2431 (3)	0.2438 (13)	0.4287 (4)	0.088 (7)
N316	0.2685 (3)	0.4764 (14)	0.5075 (5)	0.094 (7)
N305	0.4209 (4)	0.2746 (14)	0.8998 (5)	0.083 (6)
N306	0.4090 (4)	−0.2664 (14)	0.7721 (6)	0.091 (6)
C362	0.2246 (4)	0.4760 (13)	0.2290 (4)	0.073 (7)
C317	0.4125 (4)	−0.1390 (13)	0.8065 (4)	0.076 (7)
H317	0.407250	−0.089400	0.815241	0.092*
N331	0.0747 (3)	1.2848 (11)	0.2882 (4)	0.090 (7)
C389	0.0882 (3)	1.1376 (14)	0.1864 (5)	0.069 (6)
H389	0.081317	1.100616	0.170678	0.082*
C361	0.2319 (3)	0.3470 (12)	0.2097 (5)	0.066 (6)
C378	0.1367 (3)	0.9566 (15)	0.1776 (5)	0.071 (6)
C342	0.3032 (4)	0.4484 (18)	0.5178 (5)	0.082 (7)
N336	0.0646 (3)	1.2801 (10)	0.5127 (4)	0.087 (7)
C381	0.1002 (3)	0.8484 (15)	0.1326 (5)	0.070 (6)
N313	0.3578 (4)	0.3965 (14)	0.5368 (5)	0.106 (8)
N320	0.2243 (3)	0.4426 (11)	0.2592 (4)	0.081 (6)
N301	0.5218 (4)	−0.0775 (13)	0.8796 (5)	0.098 (8)
C344	0.2761 (4)	0.4079 (14)	0.4939 (4)	0.076 (7)
C327	0.4037 (4)	−0.2189 (14)	0.5215 (5)	0.090 (7)
N314	0.2935 (4)	0.3925 (15)	0.4986 (5)	0.091 (6)
N302	0.4582 (4)	−0.0957 (13)	0.8418 (5)	0.090 (7)
N307	0.3985 (3)	−0.2874 (13)	0.6965 (5)	0.093 (7)
C363	0.2365 (4)	0.2948 (13)	0.1826 (4)	0.074 (7)
C364	0.2411 (3)	0.2066 (15)	0.1847 (6)	0.079 (7)
H364	0.240884	0.175397	0.204478	0.095*
N319	0.2297 (3)	0.2244 (12)	0.3521 (4)	0.086 (6)
C379	0.1105 (4)	0.9094 (12)	0.1536 (5)	0.067 (6)
C328	0.4060 (4)	−0.3094 (14)	0.5233 (5)	0.090 (7)
H328	0.405672	−0.340894	0.542980	0.108*
C336	0.3855 (5)	0.1875 (15)	0.5298 (6)	0.105 (10)
H336	0.382690	0.208979	0.508021	0.126*
C318	0.4016 (5)	−0.2003 (15)	0.7863 (5)	0.101 (10)
H318	0.389321	−0.194201	0.782952	0.121*
N310	0.3954 (3)	−0.0818 (13)	0.5451 (5)	0.094 (7)
C396	0.0629 (3)	1.1465 (13)	0.3699 (5)	0.072 (6)
C384	0.0724 (4)	0.7783 (19)	0.1122 (5)	0.098 (9)
H384	0.060564	0.770824	0.113918	0.117*
C325	0.4000 (4)	−0.1689 (13)	0.5516 (5)	0.079 (7)
N323	0.2449 (3)	0.2061 (11)	0.1287 (4)	0.095 (8)
C398	0.0612 (4)	1.1426 (11)	0.4232 (4)	0.071 (7)
C316	0.4300 (4)	−0.1477 (11)	0.8140 (5)	0.082 (8)
C334	0.3909 (4)	0.0611 (12)	0.5676 (5)	0.079 (7)
C353	0.2475 (4)	0.3487 (17)	0.4716 (4)	0.086 (8)
H353	0.242779	0.384889	0.486707	0.103*
C354	0.2358 (4)	0.2940 (19)	0.4495 (6)	0.102 (9)
H354	0.223631	0.293303	0.449595	0.122*
C352	0.2647 (4)	0.3516 (16)	0.4723 (5)	0.073 (6)
C397	0.0562 (4)	1.0179 (13)	0.3933 (4)	0.081 (8)
C406	0.0617 (4)	1.1909 (13)	0.4549 (4)	0.078 (7)
C390	0.0806 (4)	1.2095 (15)	0.1977 (4)	0.080 (7)
H390	0.069096	1.225761	0.188565	0.096*
C394	0.0717 (4)	1.2797 (17)	0.3440 (5)	0.092 (8)
H394	0.072573	1.309657	0.364353	0.110*
C309	0.4350 (5)	0.1227 (13)	0.8746 (6)	0.099 (10)
O2A	0.4773 (4)	−0.4692 (16)	0.7076 (6)	0.079 (7)	0.5025
C306	0.4665 (4)	−0.0334 (17)	0.8591 (6)	0.083 (7)
C395	0.0760 (4)	1.3242 (14)	0.3169 (7)	0.093 (8)
H395	0.079996	1.384195	0.319178	0.112*
C357	0.2283 (4)	0.3113 (13)	0.2926 (4)	0.074 (7)
C326	0.3926 (5)	−0.0367 (13)	0.5716 (6)	0.099 (9)
C360	0.2286 (4)	0.3581 (14)	0.2609 (5)	0.074 (6)
C399	0.0535 (4)	0.9166 (12)	0.3922 (5)	0.075 (7)
C375	0.1561 (4)	0.9430 (15)	0.1845 (6)	0.084 (7)
C404	0.0696 (4)	1.3171 (14)	0.4873 (5)	0.083 (8)
H404	0.074304	1.375741	0.489674	0.100*
C405	0.0685 (4)	1.2764 (14)	0.4576 (5)	0.092 (9)
H405	0.072165	1.305418	0.439688	0.110*
C387	0.1146 (4)	1.1723 (16)	0.2187 (6)	0.083 (7)
H387	0.126708	1.163303	0.224661	0.099*
C372	0.2197 (4)	0.7028 (17)	0.1896 (6)	0.095 (8)
H372	0.218116	0.727185	0.168244	0.114*
C312	0.4115 (4)	0.2163 (12)	0.8819 (6)	0.095 (9)
H312	0.399303	0.224882	0.878281	0.114*
C393	0.0663 (4)	1.1947 (12)	0.3411 (5)	0.077 (7)
C370	0.2227 (4)	0.5742 (14)	0.2253 (6)	0.081 (7)
C339	0.3216 (4)	0.4325 (16)	0.5240 (7)	0.088 (8)
C307	0.4430 (4)	0.0444 (15)	0.8653 (4)	0.077 (7)
C385	0.0833 (5)	0.8377 (12)	0.1346 (4)	0.098 (11)
H385	0.078542	0.869235	0.150729	0.117*
C359	0.2250 (4)	0.3118 (15)	0.3476 (5)	0.096 (9)
H359	0.221954	0.343241	0.365571	0.115*
C322	0.3953 (5)	−0.1552 (19)	0.6633 (7)	0.113 (11)
H322	0.393551	−0.092399	0.662740	0.136*
C329	0.4089 (4)	−0.3537 (15)	0.4956 (5)	0.091 (7)
H329	0.410594	−0.416618	0.496359	0.109*
C335	0.3881 (4)	0.0969 (14)	0.5359 (7)	0.099 (9)
H335	0.387883	0.057466	0.518000	0.119*
C355	0.2340 (4)	0.1812 (15)	0.3265 (5)	0.087 (8)
H355	0.237788	0.120890	0.329214	0.105*
C386	0.1072 (4)	1.2394 (16)	0.2323 (6)	0.086 (8)
H386	0.113772	1.274676	0.248918	0.103*
C402	0.0538 (4)	0.7795 (15)	0.4171 (6)	0.096 (9)
H402	0.055270	0.745458	0.436598	0.115*
C358	0.2244 (5)	0.3573 (15)	0.3191 (6)	0.105 (11)
H358	0.221399	0.418835	0.317538	0.126*
C356	0.2334 (4)	0.2196 (16)	0.2970 (5)	0.097 (9)
H356	0.236289	0.186190	0.279274	0.116*
C407	0.0564 (4)	1.1489 (15)	0.4802 (5)	0.094 (9)
H407	0.051437	1.090823	0.478129	0.113*
C324	0.3986 (4)	−0.1549 (12)	0.6044 (5)	0.083 (8)
C401	0.0487 (4)	0.7807 (15)	0.3626 (5)	0.089 (8)
H401	0.045514	0.750191	0.342488	0.106*
C403	0.0550 (4)	0.8677 (15)	0.4196 (5)	0.084 (7)
H403	0.056837	0.895774	0.440388	0.101*
C303	0.4853 (5)	−0.0505 (17)	0.8675 (6)	0.097 (9)
C320	0.4025 (4)	−0.2926 (13)	0.6409 (5)	0.093 (9)
H320	0.405314	−0.328183	0.623624	0.111*
C371	0.2216 (4)	0.6115 (14)	0.1935 (6)	0.098 (9)
H371	0.222120	0.574179	0.175278	0.117*
C388	0.1052 (4)	1.1155 (15)	0.1962 (4)	0.075 (7)
C313	0.4178 (5)	0.1415 (17)	0.8674 (5)	0.099 (10)
H313	0.410174	0.104573	0.852881	0.118*
C319	0.4028 (5)	−0.3283 (19)	0.6696 (6)	0.110 (10)
H319	0.406285	−0.389009	0.672065	0.132*
C323	0.3953 (5)	−0.2012 (16)	0.6921 (6)	0.121 (13)
H323	0.392718	−0.168184	0.710199	0.145*
C392	0.0659 (5)	1.1533 (15)	0.3126 (6)	0.124 (14)
H392	0.063605	1.091036	0.310729	0.149*
O3A	0.4586 (4)	−0.4294 (16)	0.8076 (6)	0.066 (6)	0.5025
C400	0.0510 (5)	0.8748 (16)	0.3619 (6)	0.110 (11)
H400	0.050794	0.906835	0.342134	0.133*
C368	0.2215 (4)	0.7251 (15)	0.2446 (8)	0.100 (9)
H368	0.222083	0.765891	0.262271	0.120*
C315	0.4362 (4)	−0.2249 (15)	0.8033 (7)	0.095 (8)
H315	0.447957	−0.240822	0.810204	0.114*
C365	0.2460 (4)	0.1603 (15)	0.1580 (5)	0.094 (9)
H365	0.249904	0.100109	0.160062	0.113*
C333	0.3913 (5)	0.1209 (15)	0.5924 (6)	0.108 (11)
H333	0.392558	0.100255	0.614277	0.130*
C408	0.0588 (4)	1.1971 (13)	0.5101 (5)	0.097 (10)
H408	0.056043	1.168381	0.528912	0.117*
C321	0.3980 (5)	−0.1989 (14)	0.6350 (5)	0.099 (10)
C377	0.1848 (5)	0.984 (4)	0.209 (2)	0.111 (19)	0.41 (8)
H377	0.191767	1.034609	0.216136	0.133*	0.41 (8)
C304	0.4937 (5)	−0.102 (4)	0.8482 (9)	0.15 (2)
H304	0.487574	−0.130294	0.829342	0.186*
C369	0.2220 (4)	0.6328 (18)	0.2507 (8)	0.099 (8)
H369	0.221930	0.610781	0.272072	0.119*
C305	0.5117 (7)	−0.1113 (17)	0.8570 (8)	0.137 (16)
H305	0.516909	−0.150024	0.843443	0.164*
C340	0.3298 (5)	0.365 (2)	0.5064 (10)	0.114 (10)	0.84 (4)
H340	0.322958	0.332136	0.489280	0.136*	0.84 (4)
C376	0.1661 (7)	0.982 (13)	0.211 (4)	0.111 (19)	0.41 (8)
H376	0.161380	1.006079	0.228228	0.133*	0.41 (8)
C331	0.4038 (5)	−0.1761 (15)	0.4928 (5)	0.111 (8)
H331	0.400706	−0.114760	0.490265	0.133*
O1A	0.5047 (3)	−0.2567 (16)	0.7996 (6)	0.069 (7)	0.5025
H1A	0.500907	−0.206113	0.803517	0.103*	0.5025
C310	0.4454 (5)	0.1893 (16)	0.8940 (7)	0.106 (10)
H310	0.457655	0.184495	0.898684	0.127*
C301	0.5135 (6)	−0.032 (2)	0.9002 (8)	0.126 (13)
H301	0.520136	−0.013994	0.920452	0.151*
C338	0.3341 (6)	0.473 (2)	0.5488 (8)	0.141 (15)
H338	0.330364	0.518101	0.561914	0.169*
C11A	0.4664 (5)	−0.5789 (17)	0.7934 (8)	0.069 (8)	0.5025
H11A	0.463269	−0.603447	0.812612	0.082*	0.5025
C467	0.2419 (13)	0.340 (2)	0.1562 (11)	0.082 (17)	0.40 (9)
H467	0.241512	0.403668	0.155104	0.098*	0.40 (9)
C337	0.3511 (4)	0.449 (3)	0.5545 (9)	0.133 (14)
H337	0.358302	0.474582	0.572903	0.160*
C466	0.2478 (12)	0.290 (2)	0.1315 (13)	0.082 (17)	0.40 (9)
H466	0.254050	0.319200	0.116797	0.098*	0.40 (9)
C7A	0.4678 (4)	−0.4508 (12)	0.7581 (6)	0.062 (6)	0.5025
C314	0.4252 (5)	−0.2809 (16)	0.7821 (7)	0.098 (10)
H314	0.430114	−0.333445	0.774672	0.117*
C302	0.4958 (5)	−0.010 (2)	0.8938 (9)	0.117 (11)
H302	0.491143	0.032145	0.907107	0.140*
C341	0.3480 (5)	0.348 (2)	0.5147 (10)	0.114 (10)	0.84 (4)
H341	0.353050	0.301521	0.504065	0.136*	0.84 (4)
C311	0.4368 (6)	0.2622 (18)	0.9061 (8)	0.119 (13)
H311	0.443598	0.304173	0.919841	0.143*
C373	0.1819 (5)	0.856 (6)	0.178 (2)	0.111 (19)	0.41 (8)
H373	0.187386	0.809345	0.168305	0.133*	0.41 (8)
C382	0.1059 (5)	0.801 (2)	0.1093 (9)	0.137 (14)
H382	0.117898	0.805268	0.107813	0.164*
C4A	0.4655 (4)	−0.3524 (12)	0.7505 (6)	0.054 (6)	0.5025
C5A	0.4764 (3)	−0.2886 (14)	0.7681 (7)	0.058 (6)	0.5025
C6A	0.4728 (4)	−0.1996 (14)	0.7606 (8)	0.067 (7)	0.5025
H6A	0.480274	−0.154817	0.771313	0.081*	0.5025
C1A	0.4586 (4)	−0.1740 (15)	0.7379 (7)	0.064 (7)	0.5025
H1AA	0.456179	−0.112232	0.734365	0.077*	0.5025
C2A	0.4478 (4)	−0.2364 (15)	0.7204 (7)	0.062 (7)	0.5025
H2A	0.438477	−0.218864	0.703965	0.074*	0.5025
C3A	0.4512 (4)	−0.3265 (14)	0.7277 (6)	0.050 (6)	0.5025
H3A	0.443656	−0.370815	0.716923	0.060*	0.5025
C330	0.4086 (5)	−0.2249 (15)	0.4671 (5)	0.115 (8)
H330	0.411335	−0.193032	0.448941	0.138*
C374	0.1631 (5)	0.868 (5)	0.172 (2)	0.111 (19)	0.41 (8)
H374	0.155785	0.825097	0.159257	0.133*	0.41 (8)
C391	0.0689 (5)	1.2013 (15)	0.2861 (6)	0.123 (14)
H391	0.066767	1.173434	0.265279	0.148*
C332	0.3897 (5)	0.2128 (18)	0.5859 (9)	0.121 (12)
H332	0.390382	0.254561	0.603220	0.146*
C451	0.2707 (6)	0.274 (5)	0.458 (2)	0.104 (14)	0.32 (7)
H451	0.282865	0.262721	0.461855	0.125*	0.32 (7)
C8A	0.4736 (5)	−0.5081 (16)	0.7357 (7)	0.075 (7)	0.5025
C450	0.2598 (8)	0.215 (4)	0.441 (2)	0.104 (14)	0.32 (7)
H450	0.263463	0.156227	0.436280	0.125*	0.32 (7)
C9A	0.4753 (6)	−0.5991 (16)	0.7416 (8)	0.077 (9)	0.5025
H9A	0.478040	−0.637914	0.725184	0.092*	0.5025
C10A	0.4729 (7)	−0.6338 (19)	0.7715 (9)	0.085 (9)	0.5025
H10A	0.475671	−0.694327	0.776942	0.102*	0.5025
C13A	0.4909 (4)	−0.3187 (18)	0.7942 (8)	0.069 (8)	0.5025
H13A	0.486347	−0.327362	0.814756	0.083*	0.5025
H13B	0.495293	−0.377026	0.787912	0.083*	0.5025
C12A	0.4643 (5)	−0.4880 (16)	0.7871 (7)	0.061 (6)	0.5025
I409	0.2410 (4)	0.0140 (6)	0.3951 (2)	0.199 (7)	0.48 (3)
Zn45	0.22706 (18)	0.1644 (8)	0.3957 (3)	0.0892 (13)	0.48 (3)
I410	0.1956 (2)	0.1808 (13)	0.4030 (3)	0.194 (8)	0.48 (3)
I406	0.3822 (3)	−0.4025 (10)	0.3953 (4)	0.207 (9)	0.44 (3)
Zn43	0.4124 (3)	−0.3724 (14)	0.4229 (4)	0.109 (9)	0.44 (3)
I405	0.4372 (4)	−0.4848 (13)	0.4354 (4)	0.217 (9)	0.44 (3)
I418	0.0488 (2)	1.4010 (13)	0.2216 (4)	0.184 (8)	0.3502
Zn49	0.07890 (19)	1.3573 (8)	0.2469 (3)	0.0835 (11)	0.3502
I417	0.10286 (11)	1.4644 (5)	0.2679 (2)	0.0681 (18)	0.3502
I403	0.4028 (3)	−0.4961 (13)	0.7330 (6)	0.080*	0.0867
Zn42	0.3929 (3)	−0.3373 (14)	0.7382 (4)	0.080*	0.0867
I404	0.3613 (2)	−0.2994 (15)	0.7351 (5)	0.080*	0.0867
I401	0.5617 (3)	−0.0301 (11)	0.9318 (5)	0.332 (15)	0.3154
I402	0.5602 (3)	−0.0661 (10)	0.8270 (5)	0.304 (11)	0.3154
Zn41	0.54847 (19)	−0.1039 (12)	0.8789 (4)	0.193 (10)	0.3154
I413	0.22578 (15)	0.9651 (8)	0.2761 (3)	0.121 (4)*	0.217 (6)
Zn47	0.2170 (2)	0.8960 (10)	0.2210 (4)	0.105 (7)*	0.217 (6)
I414	0.22940 (17)	0.9435 (10)	0.1708 (4)	0.135 (5)*	0.217 (6)
C343	0.2809 (5)	0.5307 (15)	0.5260 (5)	0.089 (9)
C346	0.2826 (5)	0.667 (2)	0.5605 (10)	0.143 (15)
H346	0.294466	0.652371	0.567620	0.171*
C345	0.2726 (5)	0.6116 (19)	0.5377 (7)	0.104 (10)
C349	0.2558 (4)	0.6389 (15)	0.5287 (4)	0.086 (8)
H349	0.248432	0.605202	0.512669	0.103*
N317	0.2590 (4)	0.7624 (14)	0.5632 (6)	0.100 (8)
C347	0.2761 (5)	0.743 (3)	0.5733 (10)	0.132 (13)
H347	0.283320	0.780144	0.588500	0.158*
C348	0.2489 (5)	0.7138 (15)	0.5419 (7)	0.105 (10)
H348	0.237056	0.729017	0.535450	0.126*
I315	0.03273 (6)	0.6643 (5)	0.06648 (17)	0.103 (2)	0.5128
I412	0.2292 (4)	0.0743 (13)	0.0619 (3)	0.34 (2)	0.2447
Zn46	0.2565 (3)	0.1308 (14)	0.0949 (6)	0.174 (19)	0.2447
I411	0.2831 (3)	0.0433 (10)	0.1202 (6)	0.316 (19)	0.2447
I1	0.2593 (4)	0.013 (2)	0.0980 (8)	0.080*	0.0579
I2	0.2059 (4)	0.092 (2)	0.0605 (7)	0.080*	0.0579
Zn56	0.2364 (5)	0.125 (5)	0.0846 (16)	0.080*	0.0579
C383	0.0957 (6)	0.748 (3)	0.0877 (9)	0.137 (14)
H383	0.100387	0.719488	0.070782	0.165*
Zn48	0.06341 (17)	0.6569 (7)	0.0568 (2)	0.142 (10)	0.4872
I416	0.0802 (2)	0.5142 (6)	0.0570 (2)	0.337 (12)	0.4872
I415	0.03234 (16)	0.6638 (11)	0.0665 (2)	0.269 (10)	0.4872
Zn44	0.38411 (18)	0.3803 (7)	0.5490 (6)	0.152 (8)	0.338 (18)
I407	0.3933 (3)	0.4700 (11)	0.6015 (8)	0.234 (9)	0.338 (18)
I408	0.3949 (3)	0.4190 (14)	0.4967 (7)	0.221 (8)	0.338 (18)
C15A	0.4536 (6)	−0.463 (4)	0.8369 (10)	0.089 (13)	0.5025
H15A	0.440968	−0.462368	0.834564	0.133*	0.5025
H15B	0.458659	−0.425330	0.855336	0.133*	0.5025
H15C	0.457866	−0.524400	0.840692	0.133*	0.5025
C14A	0.4855 (7)	−0.525 (3)	0.6869 (11)	0.095 (14)	0.5025
H14A	0.486240	−0.493248	0.666682	0.143*	0.5025
H14B	0.478650	−0.579780	0.681896	0.143*	0.5025
H14C	0.497159	−0.540671	0.698108	0.143*	0.5025
C351	0.2709 (5)	0.302 (4)	0.4479 (12)	0.104 (14)	0.68 (7)
H351	0.282994	0.301912	0.447410	0.125*	0.68 (7)
C350	0.2603 (6)	0.253 (4)	0.4252 (12)	0.104 (14)	0.68 (7)
H350	0.264512	0.225850	0.407445	0.125*	0.68 (7)
C440	0.3327 (7)	0.438 (8)	0.4993 (14)	0.114 (10)	0.16 (4)
H440	0.328815	0.466331	0.478962	0.136*	0.16 (4)
C441	0.3498 (8)	0.399 (10)	0.5064 (9)	0.114 (10)	0.16 (4)
H441	0.355120	0.375255	0.489409	0.136*	0.16 (4)
C367	0.2347 (11)	0.335 (2)	0.1514 (8)	0.082 (17)	0.60 (9)
H367	0.230709	0.394837	0.148334	0.098*	0.60 (9)
C366	0.2388 (11)	0.285 (2)	0.1248 (8)	0.082 (17)	0.60 (9)
H366	0.236892	0.311460	0.103713	0.098*	0.60 (9)
C473	0.1831 (5)	0.885 (5)	0.1699 (15)	0.111 (19)	0.59 (8)
H473	0.189376	0.858836	0.154634	0.133*	0.59 (8)
C474	0.1643 (5)	0.896 (5)	0.1626 (16)	0.111 (19)	0.59 (8)
H474	0.157785	0.872209	0.143132	0.133*	0.59 (8)
C476	0.1667 (6)	0.993 (10)	0.207 (3)	0.111 (19)	0.59 (8)
H476	0.163642	1.050707	0.213078	0.133*	0.59 (8)
C477	0.1834 (5)	0.950 (5)	0.2202 (14)	0.111 (19)	0.59 (8)
H477	0.188070	0.949996	0.242812	0.133*	0.59 (8)
I517	0.1161 (9)	1.460 (4)	0.2832 (17)	0.080*	0.0258
I518	0.0622 (9)	1.405 (6)	0.224 (2)	0.080*	0.0258
Zn59	0.0930 (10)	1.370 (7)	0.248 (3)	0.080*	0.0258
Zn52	0.3823 (4)	−0.3388 (17)	0.7337 (9)	0.080*	0.0935
I504	0.3516 (2)	−0.3056 (13)	0.7402 (4)	0.080*	0.0935
I503	0.3962 (3)	−0.4902 (12)	0.7323 (5)	0.080*	0.0935
I502	0.5605 (3)	−0.0974 (17)	0.8126 (4)	0.080*	0.0908
I501	0.5614 (3)	−0.0118 (16)	0.9120 (5)	0.080*	0.0908
Zn51	0.5459 (3)	−0.100 (3)	0.8638 (6)	0.080*	0.0908

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I306	0.137 (6)	0.059 (3)	0.055 (2)	−0.021 (2)	0.0323 (19)	−0.0192 (17)
I307	0.093 (2)	0.0420 (15)	0.091 (2)	−0.0026 (12)	0.0159 (14)	−0.0139 (12)
I318	0.126 (3)	0.0610 (18)	0.092 (3)	0.034 (2)	0.066 (2)	0.0381 (18)
I303	0.167 (2)	0.0388 (8)	0.0764 (12)	−0.0052 (11)	0.0378 (14)	0.0025 (8)
I317	0.362 (10)	0.045 (3)	0.063 (2)	−0.011 (3)	0.041 (3)	−0.008 (2)
I305	0.182 (6)	0.0285 (18)	0.063 (3)	0.0050 (19)	0.030 (2)	0.0111 (12)
I316	0.217 (5)	0.032 (2)	0.047 (2)	0.010 (2)	0.026 (2)	0.0004 (16)
I309	0.145 (8)	0.066 (4)	0.097 (4)	0.008 (2)	0.037 (3)	0.015 (3)
I308	0.148 (3)	0.0383 (15)	0.088 (3)	−0.0026 (15)	0.0406 (17)	0.0071 (11)
I312	0.147 (3)	0.091 (2)	0.0662 (16)	−0.0261 (19)	0.0330 (16)	−0.0281 (13)
I304	0.117 (2)	0.1072 (18)	0.0825 (14)	−0.0226 (15)	0.0184 (12)	0.0185 (12)
I313	0.1029 (18)	0.0536 (12)	0.133 (2)	−0.0011 (10)	0.0125 (14)	−0.0240 (12)
I311	0.191 (4)	0.0558 (17)	0.0935 (18)	0.022 (2)	0.059 (2)	0.0216 (12)
I310	0.075 (5)	0.157 (6)	0.086 (4)	−0.024 (3)	0.026 (2)	0.030 (4)
I301	0.122 (3)	0.0473 (16)	0.0791 (16)	0.0046 (15)	−0.0039 (17)	−0.0363 (13)
I314	0.149 (2)	0.0686 (14)	0.115 (2)	0.0087 (14)	0.0508 (17)	0.0259 (13)
I302	0.127 (2)	0.0309 (13)	0.0999 (18)	−0.0122 (13)	0.0457 (17)	−0.0076 (12)
Zn39	0.165 (4)	0.0460 (15)	0.0492 (15)	0.0131 (18)	0.0441 (18)	0.0095 (12)
Zn38	0.107 (7)	0.048 (6)	0.053 (7)	−0.022 (5)	0.008 (5)	−0.019 (4)
Zn33	0.178 (10)	0.021 (3)	0.053 (5)	−0.017 (4)	0.050 (6)	−0.005 (3)
Zn35	0.156 (4)	0.068 (2)	0.0444 (14)	−0.020 (2)	0.0195 (18)	−0.0024 (14)
Zn32	0.138 (4)	0.0439 (18)	0.062 (2)	−0.013 (2)	0.027 (2)	−0.0047 (15)
Zn36	0.146 (5)	0.051 (3)	0.0400 (19)	−0.005 (4)	0.031 (3)	−0.0008 (18)
Zn34	0.119 (6)	0.055 (4)	0.081 (4)	−0.010 (4)	0.034 (4)	−0.016 (3)
Zn37	0.104 (3)	0.047 (2)	0.088 (3)	0.0033 (19)	0.023 (2)	−0.0002 (18)
Zn31	0.113 (5)	0.027 (2)	0.060 (3)	−0.001 (3)	0.012 (3)	−0.016 (2)
N330	0.119 (17)	0.039 (8)	0.062 (10)	−0.001 (9)	0.037 (10)	−0.010 (7)
N304	0.20 (2)	0.018 (7)	0.056 (10)	0.014 (10)	0.042 (12)	0.007 (6)
N334	0.128 (15)	0.033 (7)	0.037 (7)	0.008 (8)	0.029 (8)	0.008 (6)
N333	0.153 (17)	0.026 (7)	0.035 (7)	0.007 (9)	0.021 (9)	0.008 (6)
N321	0.124 (15)	0.033 (7)	0.040 (8)	−0.015 (8)	0.024 (8)	−0.015 (6)
N303	0.15 (2)	0.033 (9)	0.095 (15)	0.007 (12)	0.030 (15)	0.009 (9)
N326	0.109 (15)	0.052 (9)	0.029 (7)	−0.006 (9)	0.017 (8)	−0.011 (6)
N308	0.18 (2)	0.022 (7)	0.047 (8)	0.003 (9)	0.038 (10)	−0.011 (6)
N312	0.110 (16)	0.063 (12)	0.077 (12)	−0.008 (11)	0.022 (11)	−0.016 (10)
N332	0.138 (16)	0.027 (7)	0.034 (7)	0.005 (8)	0.009 (8)	0.000 (6)
N324	0.111 (16)	0.045 (10)	0.096 (15)	−0.009 (10)	0.007 (12)	0.004 (10)
N329	0.17 (2)	0.045 (9)	0.043 (9)	−0.019 (12)	0.023 (11)	0.003 (7)
N335	0.15 (2)	0.059 (11)	0.061 (11)	−0.010 (12)	−0.009 (12)	−0.008 (9)
C380	0.114 (19)	0.025 (8)	0.045 (9)	−0.014 (10)	0.022 (10)	−0.022 (7)
N325	0.127 (19)	0.047 (10)	0.113 (17)	0.017 (11)	0.020 (14)	0.017 (11)
N309	0.18 (2)	0.044 (9)	0.077 (12)	−0.038 (12)	0.061 (13)	−0.031 (9)
N327	0.099 (15)	0.065 (11)	0.055 (10)	0.005 (10)	0.005 (9)	−0.011 (8)
N311	0.21 (2)	0.041 (7)	0.045 (7)	−0.018 (10)	0.046 (10)	−0.017 (6)
C308	0.15 (3)	0.037 (10)	0.054 (12)	0.003 (13)	0.016 (13)	0.000 (8)
N322	0.117 (15)	0.041 (8)	0.053 (9)	0.000 (9)	0.021 (9)	−0.008 (7)
N328	0.139 (18)	0.040 (9)	0.055 (9)	−0.013 (10)	0.024 (10)	−0.013 (7)
N315	0.130 (19)	0.042 (9)	0.067 (11)	−0.011 (11)	0.036 (12)	−0.008 (8)
N318	0.16 (2)	0.070 (12)	0.038 (8)	−0.016 (13)	0.026 (10)	−0.022 (8)
N316	0.16 (2)	0.075 (13)	0.058 (11)	−0.023 (13)	0.039 (12)	−0.016 (10)
N305	0.118 (18)	0.063 (12)	0.070 (12)	−0.020 (13)	0.022 (12)	0.000 (10)
N306	0.120 (19)	0.056 (12)	0.102 (16)	−0.015 (12)	0.036 (14)	−0.026 (11)
C362	0.14 (2)	0.040 (10)	0.038 (9)	−0.018 (11)	0.008 (11)	0.007 (7)
C317	0.15 (2)	0.041 (10)	0.035 (9)	−0.015 (13)	0.009 (12)	−0.007 (8)
N331	0.19 (2)	0.043 (9)	0.037 (8)	0.011 (11)	0.036 (11)	−0.003 (7)
C389	0.093 (18)	0.051 (11)	0.062 (12)	−0.008 (11)	0.014 (12)	−0.014 (9)
C361	0.108 (17)	0.038 (10)	0.053 (11)	−0.006 (10)	0.013 (10)	−0.002 (8)
C378	0.102 (18)	0.068 (13)	0.043 (10)	0.014 (12)	0.006 (10)	−0.007 (9)
C342	0.13 (2)	0.087 (17)	0.038 (10)	−0.017 (16)	0.031 (12)	−0.010 (10)
N336	0.19 (2)	0.031 (8)	0.036 (8)	0.015 (10)	0.004 (10)	0.000 (6)
C381	0.092 (17)	0.061 (13)	0.060 (12)	−0.006 (12)	0.022 (12)	0.002 (10)
N313	0.19 (3)	0.062 (12)	0.071 (13)	−0.012 (14)	0.030 (15)	−0.018 (10)
N320	0.145 (18)	0.047 (10)	0.057 (10)	−0.004 (10)	0.038 (10)	−0.024 (8)
N301	0.17 (2)	0.039 (10)	0.079 (14)	−0.013 (12)	−0.011 (14)	0.002 (10)
C344	0.15 (2)	0.061 (12)	0.026 (8)	0.001 (14)	0.030 (11)	−0.015 (8)
C327	0.19 (2)	0.043 (8)	0.036 (7)	−0.009 (11)	0.018 (10)	−0.017 (6)
N314	0.123 (19)	0.087 (15)	0.069 (12)	0.005 (14)	0.032 (12)	−0.010 (11)
N302	0.15 (2)	0.061 (12)	0.060 (11)	0.014 (13)	0.031 (13)	0.004 (9)
N307	0.137 (19)	0.063 (12)	0.085 (13)	−0.034 (12)	0.040 (13)	−0.037 (10)
C363	0.14 (2)	0.046 (10)	0.033 (9)	−0.015 (12)	0.017 (10)	−0.012 (7)
C364	0.12 (2)	0.059 (13)	0.067 (13)	0.015 (13)	0.027 (13)	0.006 (10)
N319	0.16 (2)	0.059 (11)	0.040 (8)	−0.010 (12)	0.024 (10)	−0.010 (7)
C379	0.11 (2)	0.034 (9)	0.049 (10)	0.004 (11)	0.004 (11)	−0.009 (8)
C328	0.18 (2)	0.049 (8)	0.043 (8)	−0.004 (11)	0.036 (11)	−0.006 (7)
C336	0.21 (3)	0.036 (11)	0.073 (15)	0.011 (15)	0.022 (17)	0.000 (10)
C318	0.21 (3)	0.049 (12)	0.040 (10)	−0.008 (15)	0.009 (14)	−0.024 (9)
N310	0.16 (2)	0.051 (11)	0.071 (12)	−0.011 (12)	0.012 (12)	−0.014 (9)
C396	0.119 (19)	0.044 (10)	0.059 (11)	0.022 (11)	0.033 (12)	0.022 (9)
C384	0.14 (2)	0.10 (2)	0.052 (12)	−0.043 (18)	0.019 (13)	−0.029 (13)
C325	0.14 (2)	0.036 (10)	0.060 (12)	−0.029 (12)	0.027 (13)	−0.007 (9)
N323	0.21 (2)	0.034 (8)	0.054 (10)	−0.022 (11)	0.052 (12)	0.002 (7)
C398	0.15 (2)	0.026 (8)	0.037 (9)	0.000 (10)	0.021 (11)	0.000 (7)
C316	0.16 (3)	0.019 (8)	0.054 (11)	0.004 (12)	−0.004 (14)	0.004 (7)
C334	0.15 (2)	0.025 (9)	0.067 (12)	0.008 (11)	0.031 (13)	−0.003 (8)
C353	0.15 (3)	0.084 (16)	0.025 (8)	−0.013 (16)	0.008 (11)	−0.021 (9)
C354	0.14 (2)	0.093 (19)	0.079 (16)	−0.012 (17)	0.031 (16)	−0.043 (15)
C352	0.105 (19)	0.070 (14)	0.050 (11)	0.015 (13)	0.030 (12)	0.009 (10)
C397	0.17 (2)	0.045 (11)	0.024 (8)	0.018 (13)	0.016 (11)	−0.011 (7)
C406	0.15 (2)	0.038 (10)	0.036 (9)	0.001 (12)	0.004 (11)	0.010 (7)
C390	0.14 (2)	0.067 (14)	0.034 (9)	−0.009 (14)	0.034 (11)	0.019 (9)
C394	0.15 (3)	0.083 (17)	0.050 (12)	−0.003 (16)	0.045 (14)	−0.012 (11)
C309	0.21 (3)	0.020 (9)	0.076 (15)	−0.005 (14)	0.039 (19)	0.000 (9)
O2A	0.14 (2)	0.032 (11)	0.060 (12)	0.021 (13)	0.015 (13)	−0.014 (8)
C306	0.11 (2)	0.069 (16)	0.065 (13)	−0.013 (15)	0.008 (13)	0.009 (12)
C395	0.15 (2)	0.035 (11)	0.108 (19)	0.005 (13)	0.054 (18)	0.000 (11)
C357	0.15 (2)	0.039 (10)	0.037 (9)	−0.019 (11)	0.014 (11)	−0.008 (7)
C326	0.19 (3)	0.025 (10)	0.081 (16)	−0.021 (13)	0.022 (17)	−0.012 (10)
C360	0.13 (2)	0.047 (11)	0.043 (10)	−0.014 (12)	0.021 (11)	0.003 (8)
C399	0.15 (2)	0.026 (9)	0.046 (10)	0.005 (11)	0.018 (11)	0.004 (7)
C375	0.14 (2)	0.048 (12)	0.069 (13)	0.003 (13)	0.025 (14)	−0.022 (10)
C404	0.16 (2)	0.047 (11)	0.040 (10)	0.004 (13)	0.024 (12)	−0.010 (8)
C405	0.17 (3)	0.043 (11)	0.050 (11)	0.023 (14)	0.001 (14)	0.003 (9)
C387	0.11 (2)	0.072 (15)	0.066 (13)	−0.007 (14)	0.024 (13)	−0.023 (11)
C372	0.14 (3)	0.068 (15)	0.071 (15)	−0.009 (16)	0.008 (15)	−0.011 (12)
C312	0.18 (3)	0.025 (9)	0.077 (14)	−0.002 (13)	0.019 (16)	−0.024 (9)
C393	0.14 (2)	0.032 (9)	0.071 (13)	0.021 (11)	0.044 (13)	0.037 (9)
C370	0.11 (2)	0.042 (11)	0.082 (15)	−0.001 (12)	−0.001 (13)	−0.019 (10)
C339	0.13 (2)	0.052 (13)	0.090 (17)	0.003 (14)	0.034 (16)	−0.020 (12)
C307	0.14 (2)	0.060 (13)	0.034 (9)	−0.004 (14)	0.017 (11)	0.004 (9)
C385	0.24 (4)	0.026 (9)	0.028 (9)	−0.008 (14)	0.023 (14)	−0.003 (7)
C359	0.20 (3)	0.050 (12)	0.043 (11)	−0.009 (15)	0.027 (14)	−0.015 (9)
C322	0.19 (3)	0.071 (17)	0.091 (19)	−0.038 (19)	0.05 (2)	−0.038 (15)
C329	0.18 (2)	0.051 (9)	0.047 (8)	−0.008 (12)	0.037 (11)	−0.006 (6)
C335	0.18 (3)	0.035 (11)	0.085 (17)	−0.001 (14)	0.025 (17)	0.005 (10)
C355	0.15 (2)	0.050 (12)	0.061 (13)	−0.006 (14)	0.023 (14)	0.000 (10)
C386	0.14 (2)	0.062 (14)	0.063 (13)	−0.015 (15)	0.028 (14)	−0.036 (11)
C402	0.16 (3)	0.043 (12)	0.078 (16)	−0.001 (14)	−0.003 (16)	0.006 (11)
C358	0.23 (3)	0.040 (11)	0.060 (13)	0.003 (15)	0.054 (17)	−0.020 (10)
C356	0.19 (3)	0.059 (13)	0.040 (10)	−0.006 (16)	0.019 (14)	−0.009 (9)
C407	0.20 (3)	0.046 (11)	0.047 (11)	−0.021 (15)	0.039 (14)	−0.011 (9)
C324	0.16 (2)	0.031 (9)	0.063 (12)	−0.030 (12)	0.035 (14)	−0.018 (8)
C401	0.16 (3)	0.055 (13)	0.048 (11)	−0.002 (14)	0.005 (13)	−0.015 (10)
C403	0.14 (2)	0.059 (13)	0.054 (12)	−0.022 (14)	0.011 (13)	−0.007 (10)
C303	0.17 (3)	0.060 (14)	0.067 (14)	0.011 (16)	0.028 (17)	−0.007 (11)
C320	0.20 (3)	0.032 (10)	0.052 (12)	−0.004 (13)	0.034 (14)	−0.017 (8)
C371	0.19 (3)	0.037 (11)	0.074 (15)	−0.003 (14)	0.044 (17)	−0.003 (10)
C388	0.13 (2)	0.070 (14)	0.031 (8)	−0.029 (14)	0.026 (11)	−0.029 (9)
C313	0.17 (3)	0.066 (15)	0.048 (12)	0.021 (18)	−0.016 (15)	−0.005 (10)
C319	0.20 (3)	0.071 (16)	0.065 (15)	−0.003 (19)	0.028 (17)	−0.006 (12)
C323	0.25 (4)	0.066 (15)	0.060 (13)	−0.06 (2)	0.077 (19)	−0.051 (12)
C392	0.28 (4)	0.032 (11)	0.081 (16)	0.016 (17)	0.09 (2)	0.007 (10)
O3A	0.084 (17)	0.040 (10)	0.077 (13)	−0.014 (11)	0.023 (12)	0.013 (9)
C400	0.23 (4)	0.051 (13)	0.048 (12)	0.018 (17)	0.024 (16)	−0.005 (10)
C368	0.13 (2)	0.041 (12)	0.12 (2)	−0.019 (13)	0.015 (19)	−0.010 (13)
C315	0.12 (2)	0.047 (13)	0.12 (2)	−0.013 (13)	0.043 (18)	−0.010 (13)
C365	0.18 (3)	0.050 (12)	0.062 (13)	0.004 (14)	0.052 (15)	0.028 (10)
C333	0.22 (3)	0.044 (12)	0.071 (15)	0.007 (16)	0.054 (18)	−0.013 (11)
C408	0.22 (3)	0.026 (9)	0.050 (11)	0.011 (13)	0.027 (15)	−0.001 (8)
C321	0.22 (3)	0.041 (11)	0.039 (10)	−0.033 (15)	0.048 (14)	−0.007 (8)
C377	0.102 (11)	0.11 (3)	0.12 (3)	0.014 (13)	0.005 (12)	−0.05 (3)
C304	0.10 (3)	0.28 (6)	0.10 (2)	−0.04 (3)	0.04 (2)	−0.04 (3)
C369	0.13 (2)	0.070 (16)	0.10 (2)	−0.002 (16)	0.027 (17)	−0.014 (14)
C305	0.28 (5)	0.043 (13)	0.10 (2)	−0.01 (2)	0.06 (3)	−0.042 (14)
C340	0.14 (2)	0.068 (15)	0.14 (2)	−0.007 (16)	0.043 (18)	−0.069 (16)
C376	0.102 (11)	0.11 (3)	0.12 (3)	0.014 (13)	0.005 (12)	−0.05 (3)
C331	0.25 (2)	0.040 (9)	0.050 (9)	0.001 (13)	0.043 (12)	−0.009 (7)
O1A	0.101 (15)	0.043 (12)	0.072 (15)	−0.005 (11)	0.040 (12)	−0.038 (12)
C310	0.15 (3)	0.051 (14)	0.12 (2)	0.006 (15)	0.016 (19)	−0.035 (14)
C301	0.19 (4)	0.10 (2)	0.071 (18)	−0.02 (2)	−0.02 (2)	0.031 (18)
C338	0.18 (4)	0.12 (3)	0.11 (2)	−0.03 (3)	0.00 (2)	−0.09 (2)
C11A	0.08 (2)	0.036 (10)	0.081 (17)	−0.004 (13)	0.001 (15)	0.017 (10)
C467	0.18 (5)	0.042 (8)	0.021 (9)	−0.007 (16)	0.007 (19)	0.005 (7)
C337	0.08 (2)	0.18 (4)	0.13 (3)	−0.02 (2)	−0.024 (19)	−0.06 (3)
C466	0.18 (5)	0.042 (8)	0.021 (9)	−0.007 (16)	0.007 (19)	0.005 (7)
C7A	0.102 (19)	0.022 (8)	0.062 (12)	−0.003 (10)	0.012 (11)	0.000 (7)
C314	0.17 (3)	0.048 (13)	0.084 (17)	0.004 (17)	0.059 (19)	−0.015 (12)
C302	0.14 (3)	0.078 (19)	0.12 (3)	0.005 (19)	−0.01 (2)	−0.028 (18)
C341	0.14 (2)	0.068 (15)	0.14 (2)	−0.007 (16)	0.043 (18)	−0.069 (16)
C311	0.20 (4)	0.050 (15)	0.09 (2)	−0.04 (2)	0.00 (2)	−0.017 (13)
C373	0.102 (11)	0.11 (3)	0.12 (3)	0.014 (13)	0.005 (12)	−0.05 (3)
C382	0.16 (3)	0.11 (3)	0.14 (3)	−0.03 (2)	0.03 (2)	−0.08 (2)
C4A	0.107 (15)	0.021 (8)	0.038 (11)	−0.003 (8)	0.029 (9)	−0.003 (7)
C5A	0.099 (15)	0.022 (9)	0.061 (13)	−0.010 (9)	0.036 (10)	−0.003 (8)
C6A	0.128 (19)	0.022 (9)	0.063 (15)	−0.002 (11)	0.048 (12)	−0.002 (10)
C1A	0.120 (19)	0.027 (11)	0.060 (15)	−0.004 (11)	0.060 (12)	0.017 (9)
C2A	0.111 (19)	0.027 (10)	0.061 (15)	0.011 (10)	0.053 (12)	0.007 (9)
C3A	0.102 (15)	0.027 (9)	0.032 (11)	0.001 (10)	0.038 (9)	0.004 (8)
C330	0.27 (3)	0.044 (7)	0.043 (9)	−0.005 (12)	0.044 (13)	−0.010 (7)
C374	0.102 (11)	0.11 (3)	0.12 (3)	0.014 (13)	0.005 (12)	−0.05 (3)
C391	0.28 (4)	0.041 (12)	0.072 (15)	0.033 (18)	0.09 (2)	0.009 (10)
C332	0.18 (3)	0.058 (15)	0.12 (3)	−0.060 (19)	0.01 (2)	−0.023 (16)
C451	0.14 (2)	0.11 (3)	0.06 (2)	−0.004 (17)	0.017 (15)	−0.05 (2)
C8A	0.12 (2)	0.029 (10)	0.068 (12)	0.007 (12)	0.007 (13)	−0.010 (9)
C450	0.14 (2)	0.11 (3)	0.06 (2)	−0.004 (17)	0.017 (15)	−0.05 (2)
C9A	0.12 (2)	0.026 (10)	0.078 (16)	0.000 (13)	−0.003 (16)	−0.016 (10)
C10A	0.11 (2)	0.042 (13)	0.094 (18)	0.005 (16)	0.003 (17)	0.006 (11)
C13A	0.102 (17)	0.031 (13)	0.077 (17)	−0.001 (11)	0.023 (12)	−0.015 (12)
C12A	0.074 (18)	0.035 (10)	0.073 (12)	−0.012 (11)	0.010 (12)	0.014 (8)
I409	0.50 (2)	0.051 (3)	0.051 (3)	−0.010 (7)	0.054 (7)	0.007 (2)
Zn45	0.156 (4)	0.068 (2)	0.0444 (14)	−0.020 (2)	0.0195 (18)	−0.0024 (14)
I410	0.308 (19)	0.200 (11)	0.067 (4)	−0.118 (10)	0.014 (6)	0.006 (5)
I406	0.43 (2)	0.119 (7)	0.069 (4)	−0.070 (10)	0.041 (9)	−0.045 (4)
Zn43	0.211 (19)	0.061 (11)	0.053 (8)	−0.016 (10)	0.017 (10)	−0.002 (6)
I405	0.38 (2)	0.065 (6)	0.241 (16)	0.036 (8)	0.135 (14)	0.033 (6)
I418	0.32 (2)	0.114 (10)	0.114 (8)	0.042 (11)	0.037 (11)	0.060 (7)
Zn49	0.165 (4)	0.0460 (15)	0.0492 (15)	0.0131 (18)	0.0441 (18)	0.0095 (12)
I417	0.132 (5)	0.020 (2)	0.062 (4)	−0.018 (3)	0.045 (3)	−0.010 (2)
I401	0.35 (2)	0.092 (9)	0.44 (3)	0.065 (11)	−0.24 (2)	−0.120 (16)
I402	0.31 (2)	0.117 (13)	0.47 (3)	0.001 (13)	0.03 (2)	0.159 (16)
Zn41	0.24 (2)	0.046 (9)	0.228 (17)	−0.030 (11)	−0.148 (14)	0.046 (12)
C343	0.17 (3)	0.051 (13)	0.049 (12)	0.008 (17)	0.034 (16)	−0.002 (9)
C346	0.18 (3)	0.11 (3)	0.16 (3)	−0.01 (2)	0.10 (3)	−0.08 (2)
C345	0.17 (3)	0.071 (17)	0.077 (17)	−0.009 (19)	0.043 (19)	−0.018 (14)
C349	0.17 (3)	0.059 (13)	0.029 (9)	0.023 (15)	0.008 (12)	0.008 (8)
N317	0.17 (3)	0.057 (12)	0.085 (14)	−0.011 (14)	0.057 (16)	0.006 (11)
C347	0.12 (3)	0.14 (3)	0.14 (3)	−0.01 (2)	0.03 (2)	−0.05 (3)
C348	0.20 (3)	0.041 (12)	0.084 (17)	0.011 (16)	0.047 (19)	0.008 (12)
I315	0.091 (3)	0.139 (6)	0.077 (4)	−0.030 (3)	0.011 (3)	0.026 (4)
I412	0.75 (6)	0.22 (2)	0.100 (10)	−0.35 (3)	0.20 (2)	−0.104 (12)
Zn46	0.35 (5)	0.043 (10)	0.19 (3)	−0.06 (2)	0.22 (3)	−0.036 (15)
I411	0.48 (4)	0.095 (10)	0.49 (4)	0.119 (16)	0.42 (3)	0.150 (18)
C383	0.17 (4)	0.13 (3)	0.12 (3)	−0.01 (3)	0.03 (2)	−0.08 (2)
Zn48	0.32 (2)	0.062 (8)	0.030 (6)	−0.048 (9)	−0.002 (8)	0.032 (5)
I416	0.86 (3)	0.045 (4)	0.070 (5)	0.039 (8)	−0.011 (8)	0.012 (3)
I415	0.397 (18)	0.314 (16)	0.070 (6)	−0.211 (13)	−0.029 (7)	0.084 (7)
Zn44	0.171 (17)	0.017 (6)	0.237 (15)	0.009 (8)	−0.056 (12)	0.031 (8)
I407	0.198 (14)	0.104 (9)	0.39 (2)	0.018 (8)	0.020 (16)	−0.121 (12)
I408	0.214 (13)	0.079 (9)	0.37 (2)	−0.012 (8)	0.058 (15)	0.031 (12)
C15A	0.08 (3)	0.09 (3)	0.11 (2)	−0.01 (2)	0.04 (2)	0.037 (19)
C14A	0.13 (4)	0.04 (2)	0.11 (3)	−0.01 (2)	0.03 (2)	−0.05 (2)
C351	0.14 (2)	0.11 (3)	0.06 (2)	−0.004 (17)	0.017 (15)	−0.05 (2)
C350	0.14 (2)	0.11 (3)	0.06 (2)	−0.004 (17)	0.017 (15)	−0.05 (2)
C440	0.14 (2)	0.068 (15)	0.14 (2)	−0.007 (16)	0.043 (18)	−0.069 (16)
C441	0.14 (2)	0.068 (15)	0.14 (2)	−0.007 (16)	0.043 (18)	−0.069 (16)
C367	0.18 (5)	0.042 (8)	0.021 (9)	−0.007 (16)	0.007 (19)	0.005 (7)
C366	0.18 (5)	0.042 (8)	0.021 (9)	−0.007 (16)	0.007 (19)	0.005 (7)
C473	0.102 (11)	0.11 (3)	0.12 (3)	0.014 (13)	0.005 (12)	−0.05 (3)
C474	0.102 (11)	0.11 (3)	0.12 (3)	0.014 (13)	0.005 (12)	−0.05 (3)
C476	0.102 (11)	0.11 (3)	0.12 (3)	0.014 (13)	0.005 (12)	−0.05 (3)
C477	0.102 (11)	0.11 (3)	0.12 (3)	0.014 (13)	0.005 (12)	−0.05 (3)

Geometric parameters (Å, º)

I306—Zn33	2.476 (11)	C357—C360	1.50 (3)
I307—Zn34	2.561 (6)	C357—C358	1.38 (3)
I318—Zn39	2.526 (8)	C357—C356	1.43 (3)
I303—Zn32	2.533 (5)	C399—C403	1.34 (3)
I317—Zn39	2.534 (9)	C399—C400	1.39 (3)
I305—Zn33	2.536 (9)	C375—C376	1.35 (4)
I316—Zn38	2.534 (8)	C375—C374	1.40 (4)
I309—Zn35	2.504 (10)	C375—C474	1.39 (4)
I308—Zn34	2.521 (6)	C375—C476	1.35 (4)
I312—Zn36	2.475 (9)	C404—H404	0.9500
I304—Zn32	2.525 (6)	C404—C405	1.37 (3)
I313—Zn37	2.544 (5)	C405—H405	0.9500
I311—Zn36	2.531 (9)	C387—H387	0.9500
I310—Zn35	2.542 (10)	C387—C386	1.33 (3)
I301—Zn31	2.502 (6)	C387—C388	1.38 (3)
I314—Zn37	2.530 (6)	C372—H372	0.9500
I302—Zn31	2.551 (6)	C372—C371	1.38 (3)
Zn39—N330	2.103 (18)	C312—H312	0.9500
Zn39—N331	2.122 (18)	C312—C313	1.40 (3)
Zn38—N329	2.08 (2)	C393—C392	1.33 (3)
Zn38—N336^i	2.091 (18)	C370—C371	1.42 (3)
Zn38—I315	2.545 (8)	C370—C369	1.38 (3)
Zn33—N311	2.077 (17)	C339—C340	1.46 (3)
Zn33—N305^ii	2.17 (3)	C339—C338	1.43 (4)
Zn35—N318	2.07 (2)	C339—C440	1.46 (4)
Zn35—N319	2.06 (2)	C385—H385	0.9500
Zn32—N306	2.02 (2)	C359—H359	0.9500
Zn32—N307	2.02 (2)	C359—C358	1.36 (3)
Zn36—N323	2.144 (18)	C322—H322	0.9500
Zn36—N317^iii	2.13 (2)	C322—C323	1.39 (4)
Zn34—N312	2.13 (2)	C322—C321	1.39 (3)
Zn34—N313	2.04 (3)	C329—H329	0.9500
Zn37—N324	2.153 (19)	C335—H335	0.9500
Zn37—N325	2.11 (3)	C355—H355	0.9500
Zn31—N335^iv	2.12 (2)	C355—C356	1.35 (3)
Zn31—N301	2.05 (3)	C386—H386	0.9500
N330—C390	1.33 (3)	C402—H402	0.9500
N330—C386	1.39 (3)	C402—C403	1.33 (3)
N330—Zn49	2.08 (2)	C358—H358	0.9500
N330—Zn59	2.00 (9)	C356—H356	0.9500
N304—C308	1.38 (3)	C407—H407	0.9500
N304—C307	1.40 (3)	C407—C408	1.42 (3)
N334—C398	1.33 (2)	C324—C321	1.44 (3)
N334—C397	1.35 (2)	C401—H401	0.9500
N333—C396	1.36 (3)	C401—C400	1.42 (3)
N333—C397	1.33 (2)	C403—H403	0.9500
N321—C361	1.24 (2)	C303—C304	1.36 (5)
N321—C360	1.38 (2)	C303—C302	1.39 (4)
N303—C306	1.30 (3)	C320—H320	0.9500
N303—C307	1.31 (3)	C320—C319	1.31 (3)
N326—C380	1.32 (3)	C320—C321	1.46 (3)
N326—C378	1.30 (3)	C371—H371	0.9500
N308—C326	1.34 (3)	C313—H313	0.9500
N308—C324	1.30 (3)	C319—H319	0.9500
N312—C336	1.29 (3)	C323—H323	0.9500
N312—C332	1.38 (4)	C392—H392	0.9500
N312—Zn44	2.09 (2)	C392—C391	1.37 (3)
N332—C396	1.30 (3)	O3A—C12A	1.35 (4)
N332—C398	1.34 (2)	O3A—C15A	1.433 (19)
N324—C372	1.28 (3)	C400—H400	0.9500
N324—C368	1.34 (4)	C368—H368	0.9500
N324—Zn47	2.14 (2)	C368—C369	1.40 (4)
N329—C384	1.28 (3)	C315—H315	0.9500
N329—C383	1.37 (4)	C315—C314	1.40 (4)
N329—Zn48	2.05 (2)	C365—H365	0.9500
N335—C402	1.34 (3)	C333—H333	0.9500
N335—C401	1.27 (3)	C333—C332	1.40 (4)
N335—Zn41^v	2.01 (3)	C408—H408	0.9500
N335—Zn51^v	2.28 (5)	C377—H377	0.9500
C380—N328	1.39 (3)	C377—C376	1.47 (10)
C380—C388	1.49 (3)	C304—H304	0.9500
N325—C377	1.28 (4)	C304—C305	1.40 (5)
N325—C373	1.32 (4)	C369—H369	0.9500
N325—Zn47	2.09 (3)	C305—H305	0.9500
N325—C473	1.32 (4)	C340—H340	0.9500
N325—C477	1.28 (4)	C340—C341	1.43 (5)
N309—C325	1.27 (3)	C376—H376	0.9500
N309—C324	1.38 (3)	C331—H331	0.9500
N327—C378	1.30 (3)	C331—C330	1.40 (3)
N327—C379	1.34 (3)	O1A—H1A	0.8400
N311—C329	1.39 (3)	O1A—C13A	1.416 (19)
N311—C330	1.25 (3)	C310—H310	0.9500
N311—Zn43	2.116 (19)	C310—C311	1.42 (4)
C308—N302	1.40 (4)	C301—H301	0.9500
C308—C316	1.43 (3)	C301—C302	1.41 (5)
N322—C362	1.33 (3)	C338—H338	0.9500
N322—C361	1.33 (3)	C338—C337	1.35 (5)
N328—C379	1.35 (3)	C11A—H11A	0.9500
N315—C342	1.32 (3)	C11A—C10A	1.386 (18)
N315—C343	1.27 (4)	C11A—C12A	1.389 (18)
N318—C354	1.35 (3)	C467—H467	0.9500
N318—C450	1.38 (4)	C467—C466	1.42 (3)
N318—Zn45	2.07 (2)	C337—H337	0.9500
N318—C350	1.38 (4)	C466—H466	0.9500
N316—C344	1.36 (3)	C7A—C4A	1.511 (17)
N316—C343	1.39 (4)	C7A—C8A	1.397 (18)
N305—C312	1.29 (3)	C7A—C12A	1.398 (18)
N305—C311	1.24 (4)	C314—H314	0.9500
N305—Zn43^vi	1.93 (4)	C302—H302	0.9500
N306—C318	1.33 (3)	C341—H341	0.9500
N306—C314	1.29 (4)	C311—H311	0.9500
N306—Zn42	2.02 (3)	C373—H373	0.9500
C362—N320	1.36 (2)	C373—C374	1.47 (5)
C362—C370	1.48 (3)	C382—H382	0.9500
C317—H317	0.9500	C382—C383	1.35 (4)
C317—C318	1.43 (3)	C4A—C5A	1.402 (18)
C317—C316	1.36 (4)	C4A—C3A	1.388 (18)
N331—C395	1.32 (3)	C5A—C6A	1.388 (17)
N331—C391	1.33 (3)	C5A—C13A	1.498 (19)
N331—Zn49	2.10 (2)	C6A—H6A	0.9500
C389—H389	0.9500	C6A—C1A	1.382 (18)
C389—C390	1.35 (3)	C1A—H1AA	0.9500
C389—C388	1.36 (3)	C1A—C2A	1.379 (18)
C361—C363	1.47 (3)	C2A—H2A	0.9500
C378—C375	1.51 (4)	C2A—C3A	1.397 (17)
C342—N314	1.31 (3)	C3A—H3A	0.9500
C342—C339	1.43 (4)	C330—H330	0.9500
N336—C404	1.31 (3)	C374—H374	0.9500
N336—C408	1.32 (3)	C391—H391	0.9500
C381—C379	1.42 (3)	C332—H332	0.9500
C381—C385	1.34 (4)	C451—H451	0.9500
C381—C382	1.34 (4)	C451—C450	1.36 (4)
N313—C337	1.26 (4)	C8A—C9A	1.386 (18)
N313—C341	1.31 (4)	C450—H450	0.9500
N313—Zn44	2.05 (3)	C9A—H9A	0.9500
N313—C441	1.31 (4)	C9A—C10A	1.392 (18)
N320—C360	1.31 (3)	C10A—H10A	0.9500
N301—C305	1.23 (4)	C13A—H13A	0.9900
N301—C301	1.34 (5)	C13A—H13B	0.9900
N301—Zn41	2.13 (3)	I409—Zn45	2.504 (11)
N301—Zn51	2.14 (3)	Zn45—I410	2.543 (12)
C344—N314	1.36 (3)	I406—Zn43	2.486 (14)
C344—C352	1.43 (3)	Zn43—I405	2.553 (13)
C327—C328	1.37 (3)	I418—Zn49	2.499 (14)
C327—C325	1.53 (3)	Zn49—I417	2.507 (12)
C327—C331	1.36 (3)	I403—Zn42	2.518 (18)
N302—C306	1.28 (3)	Zn42—I404	2.519 (18)
N307—C319	1.37 (3)	I401—Zn41	2.519 (16)
N307—C323	1.32 (4)	I402—Zn41	2.551 (16)
N307—Zn42	2.01 (3)	I413—Zn47	2.502 (15)
N307—Zn52	2.30 (4)	Zn47—I414	2.554 (17)
C363—C364	1.37 (3)	C343—C345	1.49 (4)
C363—C467	1.42 (3)	C346—H346	0.9500
C363—C367	1.42 (3)	C346—C345	1.40 (5)
C364—H364	0.9500	C346—C347	1.39 (4)
C364—C365	1.42 (3)	C345—C349	1.36 (4)
N319—C359	1.36 (3)	C349—H349	0.9500
N319—C355	1.34 (3)	C349—C348	1.40 (3)
N319—Zn45	2.07 (2)	N317—C347	1.36 (4)
C328—H328	0.9500	N317—C348	1.30 (4)
C328—C329	1.38 (3)	N317—Zn46^vii	2.10 (3)
C336—H336	0.9500	C347—H347	0.9500
C336—C335	1.39 (3)	C348—H348	0.9500
C318—H318	0.9500	I412—Zn46	2.477 (19)
N310—C325	1.37 (3)	Zn46—I411	2.533 (19)
N310—C326	1.34 (3)	I1—Zn56	2.45 (7)
C396—C393	1.46 (2)	I2—Zn56	2.47 (2)
C384—H384	0.9500	C383—H383	0.9500
C384—C385	1.46 (3)	Zn48—I416	2.508 (12)
N323—C365	1.39 (2)	Zn48—I415	2.535 (13)
N323—C466	1.28 (3)	Zn44—I407	2.560 (15)
N323—Zn46	2.12 (2)	Zn44—I408	2.531 (16)
N323—Zn56	2.21 (6)	C15A—H15A	0.9800
N323—C366	1.28 (3)	C15A—H15B	0.9800
C398—C406	1.50 (3)	C15A—H15C	0.9800
C316—C315	1.36 (3)	C14A—H14A	0.9800
C334—C326	1.48 (3)	C14A—H14B	0.9800
C334—C335	1.41 (3)	C14A—H14C	0.9800
C334—C333	1.36 (3)	C351—H351	0.9500
C353—H353	0.9500	C351—C350	1.36 (4)
C353—C354	1.44 (4)	C350—H350	0.9500
C353—C352	1.34 (4)	C440—H440	0.9500
C354—H354	0.9500	C440—C441	1.44 (5)
C352—C451	1.41 (4)	C441—H441	0.9500
C352—C351	1.41 (3)	C367—H367	0.9500
C397—C399	1.53 (3)	C367—C366	1.41 (3)
C406—C405	1.38 (3)	C366—H366	0.9500
C406—C407	1.35 (3)	C473—H473	0.9500
C390—H390	0.9500	C473—C474	1.46 (5)
C394—H394	0.9500	C474—H474	0.9500
C394—C395	1.40 (3)	C476—H476	0.9500
C394—C393	1.34 (3)	C476—C477	1.48 (9)
C309—C307	1.41 (4)	C477—H477	0.9500
C309—C313	1.36 (4)	I517—Zn59	2.516 (19)
C309—C310	1.44 (4)	I518—Zn59	2.508 (19)
O2A—C8A	1.38 (4)	Zn52—I504	2.515 (19)
O2A—C14A	1.429 (18)	Zn52—I503	2.519 (18)
C306—C303	1.48 (4)	I502—Zn51	2.585 (17)
C395—H395	0.9500	I501—Zn51	2.528 (18)
I318—Zn39—I317	123.0 (4)	C328—C329—H329	119.4
N330—Zn39—I318	107.2 (7)	C336—C335—C334	123 (2)
N330—Zn39—I317	109.5 (7)	C336—C335—H335	118.6
N330—Zn39—N331	98.5 (7)	C334—C335—H335	118.6
N331—Zn39—I318	106.4 (8)	N319—C355—H355	118.5
N331—Zn39—I317	109.4 (7)	N319—C355—C356	123 (2)
I316—Zn38—I315	124.7 (4)	C356—C355—H355	118.5
N329—Zn38—I316	108.1 (8)	N330—C386—H386	120.4
N329—Zn38—N336^i	101.6 (7)	C387—C386—N330	119 (2)
N329—Zn38—I315	106.6 (8)	C387—C386—H386	120.4
N336^i—Zn38—I316	107.3 (7)	N335—C402—H402	117.9
N336^i—Zn38—I315	106.3 (8)	C403—C402—N335	124 (2)
I306—Zn33—I305	128.2 (5)	C403—C402—H402	117.9
N311—Zn33—I306	104.5 (9)	C357—C358—H358	121.1
N311—Zn33—I305	111.3 (8)	C359—C358—C357	118 (2)
N311—Zn33—N305^ii	94.4 (9)	C359—C358—H358	121.1
N305^ii—Zn33—I306	108.9 (9)	C357—C356—H356	120.3
N305^ii—Zn33—I305	104.4 (8)	C355—C356—C357	119 (2)
I309—Zn35—I310	125.9 (5)	C355—C356—H356	120.3
N318—Zn35—I309	105.1 (9)	C406—C407—H407	122.1
N318—Zn35—I310	106.5 (8)	C406—C407—C408	116 (2)
N319—Zn35—I309	108.2 (8)	C408—C407—H407	122.1
N319—Zn35—I310	107.4 (8)	N308—C324—N309	125 (2)
N319—Zn35—N318	101.2 (9)	N308—C324—C321	118.1 (19)
I304—Zn32—I303	124.49 (17)	N309—C324—C321	116.7 (19)
N306—Zn32—I303	108.6 (8)	N335—C401—H401	118.2
N306—Zn32—I304	106.3 (8)	N335—C401—C400	124 (2)
N306—Zn32—N307	101.5 (9)	C400—C401—H401	118.2
N307—Zn32—I303	107.0 (7)	C399—C403—H403	120.7
N307—Zn32—I304	106.5 (7)	C402—C403—C399	119 (2)
I312—Zn36—I311	127.9 (3)	C402—C403—H403	120.7
N323—Zn36—I312	104.6 (8)	C304—C303—C306	121 (3)
N323—Zn36—I311	109.4 (7)	C304—C303—C302	116 (4)
N317^iii—Zn36—I312	110.9 (9)	C302—C303—C306	123 (3)
N317^iii—Zn36—I311	104.2 (9)	C319—C320—H320	119.6
N317^iii—Zn36—N323	95.0 (7)	C319—C320—C321	121 (2)
I308—Zn34—I307	121.2 (3)	C321—C320—H320	119.6
N312—Zn34—I307	110.1 (6)	C372—C371—C370	119 (2)
N312—Zn34—I308	104.7 (6)	C372—C371—H371	120.4
N313—Zn34—I307	107.2 (6)	C370—C371—H371	120.4
N313—Zn34—I308	109.4 (7)	C389—C388—C380	125.1 (18)
N313—Zn34—N312	102.6 (9)	C389—C388—C387	116 (2)
I314—Zn37—I313	121.69 (19)	C387—C388—C380	119 (3)
N324—Zn37—I313	110.3 (6)	C309—C313—C312	119 (3)
N324—Zn37—I314	107.2 (6)	C309—C313—H313	120.7
N325—Zn37—I313	103.0 (7)	C312—C313—H313	120.7
N325—Zn37—I314	113.1 (7)	N307—C319—H319	116.6
N325—Zn37—N324	99.3 (8)	C320—C319—N307	127 (3)
I301—Zn31—I302	121.2 (3)	C320—C319—H319	116.6
N335^iv—Zn31—I301	112.8 (6)	N307—C323—C322	125 (2)
N335^iv—Zn31—I302	104.4 (6)	N307—C323—H323	117.4
N301—Zn31—I301	110.9 (7)	C322—C323—H323	117.4
N301—Zn31—I302	103.3 (7)	C393—C392—H392	120.2
N301—Zn31—N335^iv	102.2 (9)	C393—C392—C391	120 (2)
C390—N330—Zn39	122.7 (19)	C391—C392—H392	120.2
C390—N330—C386	119.7 (19)	C12A—O3A—C15A	118 (3)
C390—N330—Zn49	124 (2)	C399—C400—C401	115 (2)
C390—N330—Zn59	150 (3)	C399—C400—H400	122.4
C386—N330—Zn39	117.5 (14)	C401—C400—H400	122.4
C386—N330—Zn49	116.2 (14)	N324—C368—H368	119.9
C386—N330—Zn59	88 (2)	N324—C368—C369	120 (3)
C308—N304—C307	112 (3)	C369—C368—H368	119.9
C398—N334—C397	113.4 (16)	C316—C315—H315	119.9
C397—N333—C396	114.2 (16)	C316—C315—C314	120 (3)
C361—N321—C360	113.6 (17)	C314—C315—H315	119.9
C306—N303—C307	117 (3)	C364—C365—H365	121.2
C378—N326—C380	114.5 (18)	N323—C365—C364	118 (2)
C324—N308—C326	115.4 (17)	N323—C365—H365	121.2
C336—N312—Zn34	116.0 (17)	C334—C333—H333	119.8
C336—N312—C332	122 (2)	C334—C333—C332	120 (3)
C336—N312—Zn44	123.6 (19)	C332—C333—H333	119.8
C332—N312—Zn34	121.5 (16)	N336—C408—C407	123 (2)
C332—N312—Zn44	113.8 (17)	N336—C408—H408	118.6
C396—N332—C398	116.4 (16)	C407—C408—H408	118.6
C372—N324—Zn37	115.7 (18)	C322—C321—C324	124 (2)
C372—N324—C368	122 (2)	C322—C321—C320	112 (2)
C372—N324—Zn47	136.6 (19)	C324—C321—C320	122.8 (19)
C368—N324—Zn37	122.6 (17)	N325—C377—H377	122.0
C368—N324—Zn47	101.5 (17)	N325—C377—C376	116 (7)
C384—N329—Zn38	123 (2)	C376—C377—H377	122.0
C384—N329—C383	119 (2)	C303—C304—H304	121.0
C384—N329—Zn48	122 (2)	C303—C304—C305	118 (3)
C383—N329—Zn38	117.9 (17)	C305—C304—H304	121.0
C383—N329—Zn48	119.2 (17)	C370—C369—C368	119 (3)
Zn31^v—N335—Zn51^v	29.6 (6)	C370—C369—H369	120.3
C402—N335—Zn31^v	116.7 (16)	C368—C369—H369	120.3
C402—N335—Zn41^v	131.1 (17)	N301—C305—C304	130 (3)
C402—N335—Zn51^v	146.2 (18)	N301—C305—H305	115.0
C401—N335—Zn31^v	125.3 (15)	C304—C305—H305	115.0
C401—N335—C402	118 (2)	C339—C340—H340	119.8
C401—N335—Zn41^v	111.0 (16)	C341—C340—C339	120 (3)
C401—N335—Zn51^v	95.8 (15)	C341—C340—H340	119.8
Zn41^v—N335—Zn51^v	15.3 (7)	C375—C376—C377	115 (7)
N326—C380—N328	125.0 (17)	C375—C376—H376	122.5
N326—C380—C388	121.6 (17)	C377—C376—H376	122.5
N328—C380—C388	113 (2)	C327—C331—H331	121.0
C377—N325—Zn37	121 (3)	C327—C331—C330	118 (2)
C377—N325—C373	124 (3)	C330—C331—H331	121.0
C373—N325—Zn37	113 (2)	C13A—O1A—H1A	109.5
C473—N325—Zn47	129 (2)	C309—C310—H310	120.8
C477—N325—Zn47	106 (2)	C311—C310—C309	118 (3)
C477—N325—C473	124 (3)	C311—C310—H310	120.8
C325—N309—C324	115 (2)	N301—C301—H301	117.8
C378—N327—C379	115.4 (19)	N301—C301—C302	124 (3)
C329—N311—Zn33	118.5 (14)	C302—C301—H301	117.8
C329—N311—Zn43	123.2 (15)	C339—C338—H338	118.3
C330—N311—Zn33	123.1 (16)	C337—C338—C339	123 (3)
C330—N311—C329	118.3 (18)	C337—C338—H338	118.3
C330—N311—Zn43	118.5 (16)	C10A—C11A—H11A	120.0
N304—C308—N302	123 (2)	C10A—C11A—C12A	120 (2)
N304—C308—C316	117 (3)	C12A—C11A—H11A	120.0
N302—C308—C316	119 (2)	C363—C467—H467	120.4
C361—N322—C362	111.9 (17)	C466—C467—C363	119 (3)
C379—N328—C380	113 (2)	C466—C467—H467	120.4
C343—N315—C342	117 (2)	N313—C337—C338	124 (3)
C354—N318—Zn35	122 (2)	N313—C337—H337	118.1
C354—N318—C450	115 (4)	C338—C337—H337	118.1
C354—N318—Zn45	118 (2)	N323—C466—C467	121 (3)
C354—N318—C350	123 (2)	N323—C466—H466	119.6
C450—N318—Zn35	114.5 (19)	C467—C466—H466	119.6
C350—N318—Zn45	118.4 (16)	C8A—C7A—C4A	120 (2)
C344—N316—C343	111 (3)	C8A—C7A—C12A	117.8 (18)
C312—N305—Zn33^vi	123 (2)	C12A—C7A—C4A	122 (2)
C312—N305—Zn43^vi	126 (2)	N306—C314—C315	125 (2)
C311—N305—Zn33^vi	119 (2)	N306—C314—H314	117.7
C311—N305—C312	118 (3)	C315—C314—H314	117.7
C311—N305—Zn43^vi	115 (2)	C303—C302—C301	118 (3)
C318—N306—Zn32	124 (2)	C303—C302—H302	120.9
C318—N306—Zn42	116 (2)	C301—C302—H302	120.9
C314—N306—Zn32	117.9 (18)	N313—C341—C340	121 (3)
C314—N306—C318	117 (2)	N313—C341—H341	119.6
C314—N306—Zn42	126.8 (19)	C340—C341—H341	119.6
N322—C362—N320	127.3 (18)	N305—C311—C310	124 (3)
N322—C362—C370	116.0 (17)	N305—C311—H311	118.0
N320—C362—C370	116.5 (19)	C310—C311—H311	118.0
C318—C317—H317	118.3	N325—C373—H373	121.3
C316—C317—H317	118.3	N325—C373—C374	117 (3)
C316—C317—C318	123 (2)	C374—C373—H373	121.3
C395—N331—Zn39	120.7 (15)	C381—C382—H382	118.1
C395—N331—C391	116.9 (19)	C381—C382—C383	124 (4)
C395—N331—Zn49	120.6 (16)	C383—C382—H382	118.1
C391—N331—Zn39	121.8 (14)	C5A—C4A—C7A	121 (2)
C391—N331—Zn49	122.1 (14)	C3A—C4A—C7A	118.1 (19)
C390—C389—H389	118.3	C3A—C4A—C5A	120.8 (18)
C390—C389—C388	123 (2)	C4A—C5A—C13A	119 (2)
C388—C389—H389	118.3	C6A—C5A—C4A	117.0 (19)
N321—C361—N322	129.1 (19)	C6A—C5A—C13A	124 (2)
N321—C361—C363	115.6 (18)	C5A—C6A—H6A	119.0
N322—C361—C363	115.3 (17)	C1A—C6A—C5A	122 (2)
N326—C378—N327	128 (2)	C1A—C6A—H6A	119.0
N326—C378—C375	116 (2)	C6A—C1A—H1AA	119.4
N327—C378—C375	116 (2)	C2A—C1A—C6A	121 (2)
N315—C342—C339	119 (2)	C2A—C1A—H1AA	119.4
N314—C342—N315	124 (3)	C1A—C2A—H2A	121.2
N314—C342—C339	118 (2)	C1A—C2A—C3A	118 (2)
C404—N336—Zn38^viii	123.7 (14)	C3A—C2A—H2A	121.2
C404—N336—C408	118.4 (18)	C4A—C3A—C2A	121 (2)
C408—N336—Zn38^viii	117.8 (16)	C4A—C3A—H3A	119.4
C385—C381—C379	120 (2)	C2A—C3A—H3A	119.4
C382—C381—C379	124 (3)	N311—C330—C331	123 (2)
C382—C381—C385	116 (3)	N311—C330—H330	118.3
C337—N313—Zn34	122 (2)	C331—C330—H330	118.3
C337—N313—C341	120 (3)	C375—C374—C373	118 (3)
C337—N313—Zn44	116 (2)	C375—C374—H374	120.8
C337—N313—C441	112 (5)	C373—C374—H374	120.8
C341—N313—Zn34	118 (2)	N331—C391—C392	123 (2)
C441—N313—Zn44	122 (3)	N331—C391—H391	118.5
C360—N320—C362	111.3 (16)	C392—C391—H391	118.5
C305—N301—Zn31	128 (3)	N312—C332—C333	119 (3)
C305—N301—C301	112 (3)	N312—C332—H332	120.4
C305—N301—Zn41	115 (3)	C333—C332—H332	120.4
C305—N301—Zn51	101 (3)	C352—C451—H451	118.9
C301—N301—Zn31	119 (2)	C450—C451—C352	122 (4)
C301—N301—Zn41	133 (2)	C450—C451—H451	118.9
C301—N301—Zn51	146 (2)	O2A—C8A—C7A	116 (2)
N316—C344—N314	125 (2)	O2A—C8A—C9A	122 (2)
N316—C344—C352	116 (3)	C9A—C8A—C7A	121 (2)
N314—C344—C352	119 (2)	N318—C450—H450	121.3
C328—C327—C325	118.9 (19)	C451—C450—N318	117 (4)
C331—C327—C328	119.6 (19)	C451—C450—H450	121.3
C331—C327—C325	121.4 (19)	C8A—C9A—H9A	120.0
C342—N314—C344	116 (2)	C8A—C9A—C10A	120 (2)
C306—N302—C308	115 (2)	C10A—C9A—H9A	120.0
C319—N307—Zn32	124.8 (18)	C11A—C10A—C9A	119 (2)
C319—N307—Zn42	131.5 (19)	C11A—C10A—H10A	120.4
C319—N307—Zn52	130.1 (19)	C9A—C10A—H10A	120.4
C323—N307—Zn32	122.1 (15)	O1A—C13A—C5A	112.3 (18)
C323—N307—C319	113 (2)	O1A—C13A—H13A	109.1
C323—N307—Zn42	114.7 (17)	O1A—C13A—H13B	109.1
C323—N307—Zn52	107.8 (18)	C5A—C13A—H13A	109.1
C364—C363—C361	124.2 (18)	C5A—C13A—H13B	109.1
C364—C363—C467	114 (3)	H13A—C13A—H13B	107.9
C364—C363—C367	116.8 (19)	O3A—C12A—C11A	124 (2)
C467—C363—C361	119 (2)	O3A—C12A—C7A	115 (2)
C367—C363—C361	119 (2)	C11A—C12A—C7A	121 (2)
C363—C364—H364	119.1	N318—Zn45—I409	107.8 (9)
C363—C364—C365	122 (2)	N318—Zn45—I410	110.8 (9)
C365—C364—H364	119.1	N319—Zn45—N318	101.2 (9)
C359—N319—Zn35	122.2 (15)	N319—Zn45—I409	105.9 (7)
C359—N319—Zn45	118.3 (15)	N319—Zn45—I410	107.8 (9)
C355—N319—Zn35	121.0 (16)	I409—Zn45—I410	121.3 (7)
C355—N319—C359	116.8 (19)	N311—Zn43—I406	104.0 (10)
C355—N319—Zn45	124.6 (16)	N311—Zn43—I405	108.5 (9)
N327—C379—N328	124.2 (19)	N305^ii—Zn43—N311	100.6 (12)
N327—C379—C381	117.7 (19)	N305^ii—Zn43—I406	106.8 (11)
N328—C379—C381	118 (2)	N305^ii—Zn43—I405	106.8 (11)
C327—C328—H328	121.0	I406—Zn43—I405	127.1 (8)
C327—C328—C329	118 (2)	N330—Zn49—N331	99.8 (9)
C329—C328—H328	121.0	N330—Zn49—I418	114.1 (9)
N312—C336—H336	120.7	N330—Zn49—I417	107.1 (8)
N312—C336—C335	119 (2)	N331—Zn49—I418	102.2 (10)
C335—C336—H336	120.7	N331—Zn49—I417	105.0 (8)
N306—C318—C317	118 (3)	I418—Zn49—I417	125.1 (7)
N306—C318—H318	120.8	N306—Zn42—I403	113.1 (13)
C317—C318—H318	120.8	N306—Zn42—I404	113.8 (13)
C326—N310—C325	113 (2)	N307—Zn42—N306	101.9 (12)
N333—C396—C393	117.0 (19)	N307—Zn42—I403	99.4 (11)
N332—C396—N333	124.6 (17)	N307—Zn42—I404	103.3 (13)
N332—C396—C393	118 (2)	I403—Zn42—I404	121.3 (10)
N329—C384—H384	119.8	N335^iv—Zn41—N301	103.3 (12)
N329—C384—C385	120 (3)	N335^iv—Zn41—I401	104.1 (9)
C385—C384—H384	119.8	N335^iv—Zn41—I402	110.9 (10)
N309—C325—C327	120 (2)	N301—Zn41—I401	99.4 (10)
N309—C325—N310	127 (2)	N301—Zn41—I402	117.8 (11)
N310—C325—C327	112.6 (19)	I401—Zn41—I402	119.3 (10)
C365—N323—Zn36	118.2 (15)	N324—Zn47—I413	120.8 (10)
C365—N323—Zn46	110.6 (17)	N324—Zn47—I414	95.4 (8)
C365—N323—Zn56	115 (2)	N325—Zn47—N324	100.5 (10)
C466—N323—Zn36	123.2 (18)	N325—Zn47—I413	116.6 (10)
C466—N323—C365	115 (3)	N325—Zn47—I414	94.7 (9)
C366—N323—C365	122 (2)	I413—Zn47—I414	123.5 (8)
C366—N323—Zn46	127.0 (18)	N315—C343—N316	127 (2)
N334—C398—N332	125.2 (16)	N315—C343—C345	122 (3)
N334—C398—C406	116.3 (16)	N316—C343—C345	111 (3)
N332—C398—C406	118.5 (16)	C345—C346—H346	118.4
C317—C316—C308	121 (2)	C347—C346—H346	118.4
C317—C316—C315	114 (2)	C347—C346—C345	123 (4)
C315—C316—C308	124 (3)	C346—C345—C343	119 (4)
C335—C334—C326	119 (2)	C349—C345—C343	127 (3)
C333—C334—C326	125 (2)	C349—C345—C346	114 (3)
C333—C334—C335	116 (2)	C345—C349—H349	118.3
C354—C353—H353	118.0	C345—C349—C348	123 (3)
C352—C353—H353	118.0	C348—C349—H349	118.3
C352—C353—C354	124 (2)	C347—N317—Zn36^vii	120 (2)
N318—C354—C353	116 (3)	C347—N317—Zn46^vii	99 (2)
N318—C354—H354	122.2	C348—N317—Zn36^vii	118 (2)
C353—C354—H354	122.2	C348—N317—C347	123 (3)
C353—C352—C344	123 (2)	C348—N317—Zn46^vii	138 (3)
C353—C352—C451	112 (3)	C346—C347—H347	121.3
C353—C352—C351	116 (3)	N317—C347—C346	117 (3)
C451—C352—C344	122 (3)	N317—C347—H347	121.3
C351—C352—C344	121 (3)	C349—C348—H348	120.5
N334—C397—C399	115.9 (16)	N317—C348—C349	119 (3)
N333—C397—N334	126.0 (18)	N317—C348—H348	120.5
N333—C397—C399	118.0 (15)	N323—Zn46—I412	97.2 (9)
C405—C406—C398	117.7 (19)	N323—Zn46—I411	114.3 (12)
C407—C406—C398	119.9 (18)	N317^iii—Zn46—N323	96.3 (10)
C407—C406—C405	122 (2)	N317^iii—Zn46—I412	94.4 (13)
N330—C390—C389	119 (3)	N317^iii—Zn46—I411	119.6 (13)
N330—C390—H390	120.5	I412—Zn46—I411	128.5 (11)
C389—C390—H390	120.5	N323—Zn56—I1	95 (2)
C395—C394—H394	120.2	N323—Zn56—I2	125 (3)
C393—C394—H394	120.2	I1—Zn56—I2	125 (3)
C393—C394—C395	120 (2)	N329—C383—H383	120.0
C307—C309—C310	120 (3)	C382—C383—N329	120 (3)
C313—C309—C307	125 (3)	C382—C383—H383	120.0
C313—C309—C310	115 (2)	N329—Zn48—N336^i	103.2 (8)
C8A—O2A—C14A	116 (3)	N329—Zn48—I416	104.2 (9)
N303—C306—C303	119 (3)	N329—Zn48—I415	109.4 (9)
N302—C306—N303	127 (3)	N336^i—Zn48—I416	106.7 (8)
N302—C306—C303	113 (3)	N336^i—Zn48—I415	108.1 (9)
N331—C395—C394	122 (2)	I416—Zn48—I415	123.5 (7)
N331—C395—H395	119.2	N312—Zn44—I407	115.0 (9)
C394—C395—H395	119.2	N312—Zn44—I408	105.4 (9)
C358—C357—C360	120.6 (19)	N313—Zn44—N312	103.4 (10)
C358—C357—C356	118.3 (19)	N313—Zn44—I407	105.8 (9)
C356—C357—C360	120.9 (19)	N313—Zn44—I408	103.2 (10)
N308—C326—N310	125 (2)	I408—Zn44—I407	121.8 (7)
N308—C326—C334	118.1 (19)	O3A—C15A—H15A	109.5
N310—C326—C334	115 (2)	O3A—C15A—H15B	109.5
N321—C360—C357	116.1 (18)	O3A—C15A—H15C	109.5
N320—C360—N321	126.5 (17)	H15A—C15A—H15B	109.5
N320—C360—C357	117.3 (18)	H15A—C15A—H15C	109.5
C403—C399—C397	121.6 (18)	H15B—C15A—H15C	109.5
C403—C399—C400	120.2 (19)	O2A—C14A—H14A	109.5
C400—C399—C397	118.0 (17)	O2A—C14A—H14B	109.5
C376—C375—C378	121 (3)	O2A—C14A—H14C	109.5
C376—C375—C374	116 (5)	H14A—C14A—H14B	109.5
C374—C375—C378	119 (3)	H14A—C14A—H14C	109.5
C474—C375—C378	120 (2)	H14B—C14A—H14C	109.5
C476—C375—C378	122 (2)	C352—C351—H351	118.7
C476—C375—C474	115 (4)	C350—C351—C352	123 (3)
N336—C404—H404	118.0	C350—C351—H351	118.7
N336—C404—C405	124 (2)	N318—C350—H350	121.0
C405—C404—H404	118.0	C351—C350—N318	118 (3)
C406—C405—H405	121.7	C351—C350—H350	121.0
C404—C405—C406	117 (2)	C339—C440—H440	120.7
C404—C405—H405	121.7	C441—C440—C339	119 (4)
C386—C387—H387	118.9	C441—C440—H440	120.7
C386—C387—C388	122 (3)	N313—C441—C440	119 (4)
C388—C387—H387	118.9	N313—C441—H441	120.6
N324—C372—H372	119.0	C440—C441—H441	120.6
N324—C372—C371	122 (3)	C363—C367—H367	120.2
C371—C372—H372	119.0	C366—C367—C363	120 (2)
N305—C312—H312	117.2	C366—C367—H367	120.2
N305—C312—C313	126 (3)	N323—C366—C367	121 (2)
C313—C312—H312	117.2	N323—C366—H366	119.4
C394—C393—C396	120 (2)	C367—C366—H366	119.4
C392—C393—C396	121 (2)	N325—C473—H473	121.5
C392—C393—C394	118.6 (19)	N325—C473—C474	117 (3)
C371—C370—C362	118.5 (19)	C474—C473—H473	121.5
C369—C370—C362	124 (2)	C375—C474—C473	119 (3)
C369—C370—C371	117 (2)	C375—C474—H474	120.6
C342—C339—C340	123 (3)	C473—C474—H474	120.6
C342—C339—C440	124 (3)	C375—C476—H476	122.6
C338—C339—C342	127 (3)	C375—C476—C477	115 (7)
C338—C339—C340	110 (3)	C477—C476—H476	122.6
C338—C339—C440	94 (5)	N325—C477—C476	115 (6)
N304—C307—C309	114 (3)	N325—C477—H477	122.7
N303—C307—N304	125 (2)	C476—C477—H477	122.7
N303—C307—C309	120 (3)	N330—Zn59—I517	142 (5)
C381—C385—C384	121 (2)	N330—Zn59—I518	86 (3)
C381—C385—H385	119.7	I518—Zn59—I517	132 (5)
C384—C385—H385	119.7	N307—Zn52—I504	131.0 (15)
N319—C359—H359	117.6	N307—Zn52—I503	89.7 (11)
C358—C359—N319	125 (2)	I504—Zn52—I503	127.2 (14)
C358—C359—H359	117.6	N335^iv—Zn51—I502	109.1 (14)
C323—C322—H322	119.3	N335^iv—Zn51—I501	94.8 (13)
C323—C322—C321	121 (3)	N301—Zn51—N335^iv	94.8 (14)
C321—C322—H322	119.3	N301—Zn51—I502	142.4 (18)
N311—C329—H329	119.4	N301—Zn51—I501	90.0 (10)
C328—C329—N311	121 (2)	I501—Zn51—I502	115.5 (11)
Zn39—N330—C390—C389	−170.9 (15)	C394—C393—C392—C391	−8 (5)
Zn39—N330—C386—C387	176.3 (19)	C309—C310—C311—N305	−3 (5)
Zn39—N331—C395—C394	172 (2)	O2A—C8A—C9A—C10A	174 (4)
Zn39—N331—C391—C392	−178 (3)	C306—N303—C307—N304	2 (3)
Zn38—N329—C384—C385	−178.4 (17)	C306—N303—C307—C309	−172 (2)
Zn38—N329—C383—C382	−179 (3)	C306—C303—C304—C305	177 (3)
Zn38^viii—N336—C404—C405	−173 (2)	C306—C303—C302—C301	179 (3)
Zn38^viii—N336—C408—C407	171 (2)	C395—N331—C391—C392	−6 (5)
Zn33—N311—C329—C328	−170 (2)	C395—C394—C393—C396	176 (3)
Zn33—N311—C330—C331	162 (3)	C395—C394—C393—C392	3 (5)
Zn33^vi—N305—C312—C313	−174 (2)	C326—N308—C324—N309	2 (4)
Zn33^vi—N305—C311—C310	173 (2)	C326—N308—C324—C321	−169 (3)
Zn35—N318—C354—C353	178.8 (18)	C326—N310—C325—N309	1 (4)
Zn35—N318—C450—C451	170 (7)	C326—N310—C325—C327	−178 (3)
Zn35—N319—C359—C358	−176 (3)	C326—C334—C335—C336	177 (3)
Zn35—N319—C355—C356	174 (2)	C326—C334—C333—C332	179 (3)
Zn32—N306—C318—C317	−172.1 (16)	C360—N321—C361—N322	−1 (4)
Zn32—N306—C314—C315	175 (2)	C360—N321—C361—C363	179 (2)
Zn32—N307—C319—C320	171 (3)	C360—C357—C358—C359	−178 (3)
Zn32—N307—C323—C322	−175 (3)	C360—C357—C356—C355	176 (3)
Zn36—N323—C365—C364	−168 (2)	C375—C476—C477—N325	45 (19)
Zn36—N323—C466—C467	164 (4)	C404—N336—C408—C407	−5 (5)
Zn36^vii—N317—C347—C346	173 (3)	C405—C406—C407—C408	−2 (5)
Zn36^vii—N317—C348—C349	−174.4 (17)	C372—N324—C368—C369	−2 (5)
Zn34—N312—C336—C335	178 (3)	C312—N305—C311—C310	2 (5)
Zn34—N312—C332—C333	178 (3)	C393—C394—C395—N331	1 (5)
Zn34—N313—C337—C338	170 (3)	C393—C392—C391—N331	10 (6)
Zn34—N313—C341—C340	−171 (3)	C370—C362—N320—C360	−171 (2)
Zn37—N324—C372—C371	177 (3)	C339—C342—N314—C344	178 (2)
Zn37—N324—C368—C369	178 (2)	C339—C340—C341—N313	−4 (7)
Zn37—N325—C377—C376	−170 (11)	C339—C338—C337—N313	7 (7)
Zn37—N325—C373—C374	−174 (6)	C339—C440—C441—N313	−30 (16)
Zn31^v—N335—C402—C403	−177 (3)	C307—N304—C308—N302	0 (3)
Zn31^v—N335—C401—C400	−178 (3)	C307—N304—C308—C316	−174.4 (18)
Zn31—N301—C305—C304	180 (3)	C307—N303—C306—N302	−2 (4)
Zn31—N301—C301—C302	175 (3)	C307—N303—C306—C303	−175 (2)
N304—C308—N302—C306	0 (3)	C307—C309—C313—C312	172 (2)
N304—C308—C316—C317	−3 (3)	C307—C309—C310—C311	−173 (3)
N304—C308—C316—C315	−173 (2)	C385—C381—C379—N327	159 (2)
N334—C398—C406—C405	171 (2)	C385—C381—C379—N328	−25 (3)
N334—C398—C406—C407	−6 (4)	C385—C381—C382—C383	3 (6)
N334—C397—C399—C403	−11 (4)	C359—N319—C355—C356	−2 (5)
N334—C397—C399—C400	174 (3)	C329—N311—C330—C331	−13 (6)
N333—C396—C393—C394	−175 (3)	C335—C334—C326—N308	−177 (3)
N333—C396—C393—C392	−2 (4)	C335—C334—C326—N310	15 (4)
N333—C397—C399—C403	164 (3)	C335—C334—C333—C332	−3 (5)
N333—C397—C399—C400	−10 (4)	C355—N319—C359—C358	1 (5)
N321—C361—C363—C364	1 (4)	C386—N330—C390—C389	8 (3)
N321—C361—C363—C467	−158 (5)	C386—C387—C388—C380	−173 (2)
N321—C361—C363—C367	175 (5)	C386—C387—C388—C389	6 (4)
N303—C306—C303—C304	−159 (3)	C402—N335—C401—C400	5 (5)
N303—C306—C303—C302	15 (4)	C358—C357—C360—N321	180 (3)
N326—C380—N328—C379	2 (3)	C358—C357—C360—N320	−3 (4)
N326—C380—C388—C389	167 (2)	C358—C357—C356—C355	1 (5)
N326—C380—C388—C387	−14 (3)	C356—C357—C360—N321	5 (4)
N326—C378—C375—C376	22 (13)	C356—C357—C360—N320	−178 (3)
N326—C378—C375—C374	179 (6)	C356—C357—C358—C359	−2 (5)
N326—C378—C375—C474	−152 (5)	C407—C406—C405—C404	0 (4)
N326—C378—C375—C476	10 (10)	C324—N308—C326—N310	−3 (5)
N308—C324—C321—C322	−8 (5)	C324—N308—C326—C334	−170 (3)
N308—C324—C321—C320	−179 (3)	C324—N309—C325—C327	177 (3)
N312—C336—C335—C334	5 (5)	C324—N309—C325—N310	−2 (4)
N332—C396—C393—C394	2 (4)	C401—N335—C402—C403	0 (5)
N332—C396—C393—C392	175 (3)	C403—C399—C400—C401	5 (5)
N332—C398—C406—C405	−10 (4)	C303—C304—C305—N301	−3 (7)
N332—C398—C406—C407	173 (3)	C371—C370—C369—C368	−4 (5)
N324—C372—C371—C370	5 (5)	C388—C380—N328—C379	175.8 (17)
N324—C368—C369—C370	6 (5)	C388—C389—C390—N330	−6 (3)
N329—C384—C385—C381	−1 (4)	C388—C387—C386—N330	−5 (4)
N335—C402—C403—C399	−2 (5)	C313—C309—C307—N304	1 (3)
N335—C401—C400—C399	−8 (5)	C313—C309—C307—N303	175 (2)
C380—N326—C378—N327	6 (3)	C313—C309—C310—C311	5 (4)
C380—N326—C378—C375	−177.7 (18)	C319—N307—C323—C322	3 (5)
C380—N328—C379—N327	−3 (3)	C319—C320—C321—C322	4 (5)
C380—N328—C379—C381	−177.7 (18)	C319—C320—C321—C324	176 (3)
N325—C377—C376—C375	−41 (23)	C323—N307—C319—C320	−6 (5)
N325—C373—C374—C375	7 (12)	C323—C322—C321—C324	−178 (3)
N325—C473—C474—C375	6 (8)	C323—C322—C321—C320	−7 (5)
N309—C324—C321—C322	180 (100)	C400—C399—C403—C402	−1 (5)
N309—C324—C321—C320	9 (5)	C368—N324—C372—C371	−3 (5)
N327—C378—C375—C376	−161 (13)	C365—N323—C466—C467	−38 (8)
N327—C378—C375—C374	−4 (6)	C365—N323—C366—C367	8 (7)
N327—C378—C375—C474	25 (6)	C333—C334—C326—N308	0 (5)
N327—C378—C375—C476	−173 (10)	C333—C334—C326—N310	−168 (3)
C308—N304—C307—N303	−1 (3)	C333—C334—C335—C336	−1 (5)
C308—N304—C307—C309	173.6 (18)	C408—N336—C404—C405	3 (4)
C308—N302—C306—N303	1 (4)	C321—C322—C323—N307	4 (6)
C308—N302—C306—C303	175 (2)	C321—C320—C319—N307	2 (6)
C308—C316—C315—C314	−180 (2)	C377—N325—C373—C374	−10 (11)
N322—C362—N320—C360	4 (4)	C304—C303—C302—C301	−7 (5)
N322—C362—C370—C371	9 (4)	C369—C370—C371—C372	−1 (5)
N322—C362—C370—C369	−171 (3)	C305—N301—C301—C302	−12 (4)
N322—C361—C363—C364	−179 (3)	C340—C339—C338—C337	0 (6)
N322—C361—C363—C467	22 (6)	C376—C375—C374—C373	−22 (17)
N322—C361—C363—C367	−5 (5)	C331—C327—C328—C329	2 (5)
N328—C380—C388—C389	−7 (3)	C331—C327—C325—N309	−174 (3)
N328—C380—C388—C387	172.0 (19)	C331—C327—C325—N310	6 (4)
N315—C342—N314—C344	−6 (3)	C310—C309—C307—N304	179 (2)
N315—C342—C339—C340	−167 (3)	C310—C309—C307—N303	−6 (3)
N315—C342—C339—C338	18 (4)	C310—C309—C313—C312	−7 (4)
N315—C342—C339—C440	−110 (7)	C301—N301—C305—C304	7 (5)
N315—C343—C345—C346	−16 (4)	C338—C339—C340—C341	−1 (5)
N315—C343—C345—C349	164 (3)	C338—C339—C440—C441	55 (10)
N316—C344—N314—C342	0 (3)	C467—C363—C364—C365	−17 (6)
N316—C344—C352—C353	−18 (3)	C337—N313—C341—C340	11 (6)
N316—C344—C352—C451	−175 (6)	C337—N313—C441—C440	−17 (13)
N316—C344—C352—C351	156 (4)	C466—N323—C365—C364	32 (6)
N316—C343—C345—C346	171 (3)	C7A—C4A—C5A—C6A	−177 (3)
N316—C343—C345—C349	−9 (4)	C7A—C4A—C5A—C13A	2 (5)
N305—C312—C313—C309	6 (4)	C7A—C4A—C3A—C2A	177 (3)
C362—N322—C361—N321	4 (4)	C7A—C8A—C9A—C10A	−7 (7)
C362—N322—C361—C363	−176 (2)	C314—N306—C318—C317	13 (4)
C362—N320—C360—N321	−1 (4)	C302—C303—C304—C305	2 (6)
C362—N320—C360—C357	−178 (2)	C341—N313—C337—C338	−12 (7)
C362—C370—C371—C372	179 (3)	C311—N305—C312—C313	−3 (4)
C362—C370—C369—C368	176 (3)	C373—N325—C377—C376	27 (13)
C317—C316—C315—C314	10 (4)	C382—C381—C379—N327	−23 (4)
C361—N321—C360—N320	0 (4)	C382—C381—C379—N328	152 (3)
C361—N321—C360—C357	177 (2)	C382—C381—C385—C384	0 (4)
C361—N322—C362—N320	−6 (4)	C4A—C7A—C8A—O2A	1 (5)
C361—N322—C362—C370	169 (2)	C4A—C7A—C8A—C9A	−178 (4)
C361—C363—C364—C365	−178 (3)	C4A—C7A—C12A—O3A	0 (5)
C361—C363—C467—C466	174 (5)	C4A—C7A—C12A—C11A	179 (3)
C361—C363—C367—C366	−179 (4)	C4A—C5A—C6A—C1A	3 (5)
C378—N326—C380—N328	−3 (3)	C4A—C5A—C13A—O1A	154 (3)
C378—N326—C380—C388	−176.5 (18)	C5A—C4A—C3A—C2A	3 (5)
C378—N327—C379—N328	5 (3)	C5A—C6A—C1A—C2A	−4 (5)
C378—N327—C379—C381	180 (2)	C6A—C5A—C13A—O1A	−28 (5)
C378—C375—C376—C377	−164 (10)	C6A—C1A—C2A—C3A	4 (5)
C378—C375—C374—C373	179 (6)	C1A—C2A—C3A—C4A	−4 (5)
C378—C375—C474—C473	179 (4)	C3A—C4A—C5A—C6A	−3 (5)
C378—C375—C476—C477	156 (8)	C3A—C4A—C5A—C13A	175 (3)
C342—N315—C343—N316	−6 (4)	C330—N311—C329—C328	6 (5)
C342—N315—C343—C345	−178 (2)	C374—C375—C376—C377	38 (24)
C342—C339—C340—C341	−177 (3)	C391—N331—C395—C394	1 (5)
C342—C339—C338—C337	175 (4)	C332—N312—C336—C335	−6 (5)
C342—C339—C440—C441	−164 (7)	C8A—C7A—C4A—C5A	−111 (4)
N336—C404—C405—C406	0 (4)	C8A—C7A—C4A—C3A	75 (4)
C381—C382—C383—N329	−4 (7)	C8A—C7A—C12A—O3A	−179 (2)
N320—C362—C370—C371	−175 (3)	C8A—C7A—C12A—C11A	−1 (6)
N320—C362—C370—C369	5 (4)	C8A—C9A—C10A—C11A	9 (7)
N301—C301—C302—C303	13 (5)	C450—N318—C354—C353	32 (6)
C344—N316—C343—N315	1 (3)	C10A—C11A—C12A—O3A	−178 (4)
C344—N316—C343—C345	173 (2)	C10A—C11A—C12A—C7A	4 (6)
C344—C352—C451—C450	173 (7)	C13A—C5A—C6A—C1A	−175 (3)
C344—C352—C351—C350	−175 (4)	C12A—C11A—C10A—C9A	−8 (7)
C327—C328—C329—N311	0 (5)	C12A—C7A—C4A—C5A	69 (4)
C327—C331—C330—N311	15 (6)	C12A—C7A—C4A—C3A	−105 (4)
N314—C342—C339—C340	9 (4)	C12A—C7A—C8A—O2A	−179 (3)
N314—C342—C339—C338	−166 (3)	C12A—C7A—C8A—C9A	2 (6)
N314—C342—C339—C440	66 (7)	Zn45—N318—C354—C353	−179.3 (19)
N314—C344—C352—C353	165 (2)	Zn45—N318—C350—C351	−177 (3)
N314—C344—C352—C451	7 (6)	Zn45—N319—C359—C358	−173 (3)
N314—C344—C352—C351	−22 (4)	Zn45—N319—C355—C356	171 (2)
N302—C308—C316—C317	−178 (2)	Zn43—N311—C329—C328	−177 (2)
N302—C308—C316—C315	12 (3)	Zn43—N311—C330—C331	169 (3)
N302—C306—C303—C304	27 (4)	Zn43^vi—N305—C312—C313	−175 (2)
N302—C306—C303—C302	−158 (3)	Zn43^vi—N305—C311—C310	174 (3)
C363—C364—C365—N323	−4 (4)	Zn49—N330—C390—C389	−170.5 (15)
C363—C467—C466—N323	15 (9)	Zn49—N330—C386—C387	175.9 (19)
C363—C367—C366—N323	−3 (7)	Zn49—N331—C395—C394	174 (2)
C364—C363—C467—C466	13 (8)	Zn49—N331—C391—C392	−179 (3)
C364—C363—C367—C366	−5 (7)	Zn42—N306—C318—C317	−170.3 (17)
N319—C359—C358—C357	2 (5)	Zn42—N306—C314—C315	173 (2)
N319—C355—C356—C357	2 (5)	Zn42—N307—C319—C320	164 (3)
C379—N327—C378—N326	−6 (3)	Zn42—N307—C323—C322	−169 (3)
C379—N327—C378—C375	177.1 (19)	Zn41^v—N335—C402—C403	180 (3)
C379—C381—C385—C384	177 (2)	Zn41^v—N335—C401—C400	−175 (3)
C379—C381—C382—C383	−175 (4)	Zn41—N301—C305—C304	−174 (4)
C328—C327—C325—N309	10 (4)	Zn41—N301—C301—C302	169 (2)
C328—C327—C325—N310	−171 (3)	Zn47—N324—C372—C371	−177 (2)
C328—C327—C331—C330	−8 (5)	Zn47—N324—C368—C369	174 (3)
C336—N312—C332—C333	2 (5)	Zn47—N325—C473—C474	172 (4)
C318—N306—C314—C315	−10 (4)	Zn47—N325—C477—C476	162 (9)
C318—C317—C316—C308	−177 (2)	C343—N315—C342—N314	9 (3)
C318—C317—C316—C315	−6 (3)	C343—N315—C342—C339	−175 (2)
C396—N333—C397—N334	2 (4)	C343—N316—C344—N314	2 (3)
C396—N333—C397—C399	−173 (2)	C343—N316—C344—C352	−175.5 (19)
C396—N332—C398—N334	4 (4)	C343—C345—C349—C348	177 (2)
C396—N332—C398—C406	−174 (2)	C346—C345—C349—C348	−2 (4)
C396—C393—C392—C391	179 (3)	C345—C346—C347—N317	1 (6)
C384—N329—C383—C382	3 (6)	C345—C349—C348—N317	2 (4)
C325—N309—C324—N308	1 (4)	C347—C346—C345—C343	−179 (3)
C325—N309—C324—C321	172 (3)	C347—C346—C345—C349	1 (5)
C325—C327—C328—C329	178 (3)	C347—N317—C348—C349	0 (4)
C325—C327—C331—C330	175 (3)	C348—N317—C347—C346	−1 (5)
C325—N310—C326—N308	2 (5)	Zn46—N323—C365—C364	171 (2)
C325—N310—C326—C334	169 (3)	Zn46—N323—C366—C367	−167 (3)
C398—N334—C397—N333	−2 (4)	Zn46^vii—N317—C347—C346	173 (3)
C398—N334—C397—C399	173 (2)	Zn46^vii—N317—C348—C349	−171.2 (19)
C398—N332—C396—N333	−4 (4)	Zn56—N323—C365—C364	−143 (3)
C398—N332—C396—C393	179 (2)	C383—N329—C384—C385	−1 (4)
C398—C406—C405—C404	−177 (2)	Zn48—N329—C384—C385	−176.8 (17)
C398—C406—C407—C408	175 (3)	Zn48—N329—C383—C382	179 (3)
C316—C308—N302—C306	174 (2)	Zn44—N312—C336—C335	179 (2)
C316—C317—C318—N306	−5 (3)	Zn44—N312—C332—C333	178 (3)
C316—C315—C314—N306	−2 (4)	Zn44—N313—C337—C338	175 (4)
C334—C333—C332—N312	3 (5)	Zn44—N313—C441—C440	−160 (7)
C353—C352—C451—C450	14 (10)	C15A—O3A—C12A—C11A	−3 (6)
C353—C352—C351—C350	0 (6)	C15A—O3A—C12A—C7A	176 (3)
C354—N318—C450—C451	−40 (10)	C14A—O2A—C8A—C7A	171 (3)
C354—N318—C350—C351	13 (7)	C14A—O2A—C8A—C9A	−9 (6)
C354—C353—C352—C344	178 (2)	C350—N318—C354—C353	−9 (5)
C354—C353—C352—C451	−22 (6)	C440—C339—C338—C337	−45 (6)
C354—C353—C352—C351	4 (5)	C441—N313—C337—C338	29 (9)
C352—C344—N314—C342	178 (2)	C367—C363—C364—C365	8 (6)
C352—C353—C354—N318	0 (4)	C366—N323—C365—C364	−4 (6)
C352—C451—C450—N318	17 (13)	C473—N325—C477—C476	−23 (10)
C352—C351—C350—N318	−8 (7)	C474—C375—C476—C477	−41 (20)
C397—N334—C398—N332	−1 (4)	C476—C375—C474—C473	16 (13)
C397—N334—C398—C406	178 (2)	C477—N325—C473—C474	−1 (8)
C397—N333—C396—N332	1 (4)	Zn59—N330—C390—C389	162 (8)
C397—N333—C396—C393	178 (2)	Zn59—N330—C386—C387	−170 (5)
C397—C399—C403—C402	−175 (3)	Zn52—N307—C319—C320	137 (3)
C397—C399—C400—C401	180 (3)	Zn52—N307—C323—C322	−148 (3)
C406—C407—C408—N336	5 (5)	Zn51^v—N335—C402—C403	−176 (3)
C390—N330—C386—C387	−3 (3)	Zn51^v—N335—C401—C400	−177 (3)
C390—C389—C388—C380	178.4 (19)	Zn51—N301—C305—C304	−163 (4)
C390—C389—C388—C387	−1 (3)	Zn51—N301—C301—C302	152 (4)

Symmetry codes: (i) x, −y+2, z−1/2; (ii) x, −y, z−1/2; (iii) x, −y+1, z−1/2; (iv) x+1/2, −y+1/2, z+1/2; (v) x−1/2, −y+1/2, z−1/2; (vi) x, −y, z+1/2; (vii) x, −y+1, z+1/2; (viii) x, −y+2, z+1/2.

catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc (25_10_24c)

Crystal data

C36H24I6N12Zn3	F(000) = 5856
Mr = 1582.18	Dx = 1.371 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.4156 (9) Å	Cell parameters from 8194 reflections
b = 15.0804 (3) Å	θ = 2.6–74.2°
c = 30.0607 (16) Å	µ = 20.27 mm^−1
β = 100.709 (4)°	T = 100 K
V = 15329.8 (10) Å^3	Block, colourless
Z = 8	0.16 × 0.11 × 0.06 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	13960 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	9409 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.051
Detector resolution: 10 pixels mm^-1	θmax = 68.2°, θmin = 2.6°
profile data from ω–scans	h = −41→35
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −18→17
Tmin = 0.116, Tmax = 0.425	l = −36→36
53521 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.086	H-atom parameters constrained
wR(F^2) = 0.289	w = 1/[σ^2(Fo^2) + (0.1966P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.09	(Δ/σ)max < 0.001
13960 reflections	Δρmax = 1.78 e Å^−3
616 parameters	Δρmin = −0.98 e Å^−3
22 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. No guests or solvent were identified from the electron density map, SQUEEZE has been applied to address the residual electron density within the pore. SQUEEZE analysis indicated one void with a volume of 888 Ang**3 and an electron count of 250. This is equivalent to 5.21 cyclohexane molecules or 1.92 BBA-8,12-OMe molecules.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I404	0.3783 (2)	−0.2265 (4)	0.4385 (3)	0.185 (5)	0.2897
I403	0.4803 (3)	−0.1456 (6)	0.3681 (3)	0.239 (6)	0.2897
I305	0.61939 (12)	0.7369 (2)	0.5745 (2)	0.175 (2)	0.5551
Zn42	0.4198 (4)	−0.1169 (8)	0.4026 (4)	0.176 (8)	0.2897
I306	0.6584 (2)	0.5528 (6)	0.4705 (2)	0.184 (2)	0.5551
I401	0.37620 (10)	0.34296 (17)	0.80724 (9)	0.1093 (9)	0.418 (3)
I402	0.27042 (10)	0.2659 (2)	0.70806 (14)	0.1194 (9)	0.418 (3)
Zn33	0.6342 (3)	0.5839 (6)	0.5417 (3)	0.144 (4)	0.5551
Zn41	0.33087 (17)	0.3615 (4)	0.73155 (18)	0.0862 (12)	0.418 (3)
N303	0.4295 (2)	0.2226 (5)	0.5604 (3)	0.085 (2)
N310	0.8183 (2)	0.3198 (4)	0.7499 (3)	0.094 (3)
N308	0.78109 (19)	0.4470 (4)	0.7246 (3)	0.083 (2)
N309	0.7669 (2)	0.3106 (4)	0.6859 (3)	0.090 (2)
N312	0.88014 (19)	0.5501 (4)	0.8592 (3)	0.0780 (19)
N302	0.4648 (2)	0.3564 (5)	0.5828 (3)	0.088 (2)
N305	0.4373 (2)	−0.0226 (5)	0.4521 (3)	0.090 (2)
N304	0.4822 (2)	0.2682 (4)	0.5255 (2)	0.083 (2)
N306	0.5830 (3)	0.5140 (6)	0.5468 (4)	0.105 (3)
C309	0.4509 (2)	0.1285 (5)	0.5038 (3)	0.071 (2)
C316	0.5195 (3)	0.4011 (5)	0.5502 (4)	0.086 (3)
C326	0.8101 (2)	0.4050 (5)	0.7521 (3)	0.075 (2)
C306	0.4363 (3)	0.2960 (5)	0.5861 (3)	0.083 (3)
C313	0.4750 (3)	0.1104 (6)	0.4741 (3)	0.085 (3)
H313	0.496196	0.148896	0.471259	0.102*
N301	0.3584 (5)	0.3435 (6)	0.6769 (5)	0.137 (5)
C325	0.7951 (2)	0.2754 (5)	0.7164 (4)	0.081 (2)
C312	0.4680 (2)	0.0351 (6)	0.4483 (3)	0.081 (2)
H312	0.484579	0.021972	0.427205	0.097*
C327	0.8016 (3)	0.1774 (6)	0.7168 (4)	0.096 (3)
C324	0.7606 (2)	0.3967 (5)	0.6912 (3)	0.085 (3)
C308	0.4865 (3)	0.3407 (5)	0.5533 (4)	0.080 (3)
C332	0.8510 (3)	0.5888 (6)	0.8314 (4)	0.091 (3)
H332	0.846309	0.650075	0.835554	0.110*
N307	0.6734 (3)	0.5283 (5)	0.5967 (4)	0.121 (4)
C334	0.8340 (2)	0.4554 (5)	0.7903 (4)	0.084 (3)
N311	0.8137 (4)	−0.0022 (5)	0.7205 (5)	0.132 (4)
C307	0.4538 (3)	0.2126 (6)	0.5322 (4)	0.087 (3)
C317	0.5362 (3)	0.4086 (7)	0.5126 (4)	0.102 (4)
H317	0.525711	0.373977	0.486729	0.122*
C321	0.7310 (3)	0.4426 (5)	0.6596 (4)	0.093 (3)
C303	0.4097 (3)	0.3101 (6)	0.6178 (4)	0.095 (3)
C311	0.4170 (4)	−0.0080 (7)	0.4832 (5)	0.108 (4)
H311	0.398538	−0.051527	0.488679	0.129*
C319	0.6795 (3)	0.4427 (6)	0.5927 (4)	0.110 (4)
H319	0.664266	0.411458	0.568017	0.132*
C310	0.4211 (4)	0.0712 (8)	0.5100 (4)	0.106 (3)
H310	0.404267	0.083548	0.530870	0.128*
C333	0.8271 (3)	0.5454 (5)	0.7971 (4)	0.106 (4)
H333	0.806187	0.575694	0.778099	0.127*
C322	0.7246 (3)	0.5322 (6)	0.6610 (5)	0.120 (5)
H322	0.740062	0.567257	0.683959	0.144*
C336	0.8845 (3)	0.4647 (6)	0.8554 (4)	0.113 (4)
H336	0.904184	0.435626	0.876769	0.136*
C318	0.5677 (3)	0.4646 (7)	0.5105 (4)	0.102 (3)
H318	0.578435	0.468107	0.483668	0.122*
C320	0.7074 (3)	0.3968 (6)	0.6230 (4)	0.110 (4)
H320	0.710744	0.334840	0.619495	0.132*
C323	0.6955 (3)	0.5717 (7)	0.6289 (5)	0.136 (6)
H323	0.691539	0.633842	0.630755	0.163*
C305	0.3913 (6)	0.3880 (11)	0.6793 (7)	0.147 (6)
H305	0.396751	0.432383	0.702028	0.177*
C328	0.7777 (4)	0.1227 (6)	0.6869 (6)	0.140 (6)
H328	0.756134	0.145306	0.665569	0.168*
C329	0.7871 (5)	0.0285 (8)	0.6893 (7)	0.137 (5)
H329	0.773024	−0.010673	0.667246	0.165*
C301	0.3504 (5)	0.2812 (10)	0.6460 (6)	0.133 (5)
H301	0.327627	0.245273	0.645003	0.160*
C330	0.8351 (6)	0.0472 (7)	0.7473 (6)	0.161 (8)
H330	0.856389	0.021205	0.767750	0.193*
C304	0.4185 (5)	0.3763 (11)	0.6519 (6)	0.130 (5)
H304	0.442045	0.410621	0.655501	0.156*
C331	0.8300 (5)	0.1380 (8)	0.7493 (5)	0.128 (5)
H331	0.845649	0.172407	0.772409	0.153*
C335	0.8616 (3)	0.4139 (7)	0.8215 (5)	0.133 (6)
H335	0.865297	0.351614	0.820200	0.160*
C302	0.3750 (7)	0.2669 (8)	0.6145 (6)	0.146 (6)
H302	0.367149	0.226036	0.590449	0.175*
C315	0.5350 (4)	0.4544 (11)	0.5871 (6)	0.150 (6)
H315	0.523552	0.456127	0.613562	0.180*
I302	0.25184 (15)	0.2825 (2)	0.6816 (3)	0.231 (3)	0.554 (3)
Zn31	0.3150 (2)	0.3572 (3)	0.7155 (3)	0.161 (3)	0.554 (3)
I301	0.3520 (2)	0.3210 (3)	0.7946 (2)	0.252 (3)	0.554 (3)
I502	0.2399 (7)	0.300 (2)	0.6467 (8)	0.080*	0.0282 (15)
I501	0.3173 (6)	0.2929 (16)	0.7764 (8)	0.080*	0.0282 (15)
Zn51	0.3008 (16)	0.355 (5)	0.6910 (18)	0.080*	0.0282 (15)
C314	0.5684 (5)	0.5057 (11)	0.5833 (6)	0.147 (6)
H314	0.581196	0.536512	0.609508	0.176*
Zn32	0.42079 (7)	−0.1243 (2)	0.40583 (8)	0.0654 (7)	0.6859
I303	0.47613 (6)	−0.15146 (17)	0.36293 (5)	0.0865 (4)	0.6859
I304	0.38439 (5)	−0.23807 (13)	0.44458 (8)	0.0881 (4)	0.6859
I504	0.3907 (7)	−0.2414 (19)	0.4066 (10)	0.080*	0.0244
I503	0.4771 (14)	−0.165 (3)	0.3507 (17)	0.080*	0.0244
Zn52	0.430 (3)	−0.107 (7)	0.397 (4)	0.080*	0.0244
I405	0.6104 (2)	0.7417 (4)	0.5951 (3)	0.229 (5)	0.4449
Zn43	0.6296 (3)	0.6013 (6)	0.5538 (4)	0.121 (3)	0.4449
I406	0.6512 (3)	0.5912 (7)	0.4798 (4)	0.206 (4)	0.4449

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I404	0.245 (7)	0.054 (2)	0.198 (5)	−0.049 (3)	−0.113 (5)	0.021 (2)
I403	0.256 (8)	0.126 (5)	0.273 (9)	0.107 (5)	−0.115 (6)	−0.031 (5)
I305	0.1393 (16)	0.0464 (11)	0.274 (4)	−0.0055 (10)	−0.130 (3)	0.0157 (14)
Zn42	0.171 (10)	0.040 (5)	0.257 (13)	0.018 (5)	−0.120 (9)	−0.006 (5)
I306	0.111 (3)	0.229 (6)	0.185 (3)	−0.035 (3)	−0.0403 (19)	0.121 (3)
I401	0.168 (2)	0.0502 (9)	0.1026 (12)	0.0162 (10)	0.0069 (13)	0.0070 (7)
I402	0.1284 (18)	0.0485 (10)	0.183 (2)	−0.0160 (10)	0.0341 (15)	−0.0272 (11)
Zn33	0.113 (3)	0.064 (3)	0.212 (7)	−0.025 (2)	−0.087 (4)	0.035 (3)
Zn41	0.112 (3)	0.0350 (17)	0.107 (2)	0.0042 (16)	0.008 (2)	−0.0057 (14)
N303	0.085 (4)	0.061 (4)	0.098 (5)	−0.004 (3)	−0.011 (4)	−0.014 (4)
N310	0.086 (4)	0.023 (3)	0.156 (7)	−0.001 (3)	−0.024 (4)	0.012 (3)
N308	0.080 (3)	0.031 (3)	0.122 (6)	−0.011 (2)	−0.020 (4)	0.001 (3)
N309	0.085 (4)	0.035 (3)	0.133 (6)	−0.015 (3)	−0.024 (4)	−0.001 (3)
N312	0.078 (3)	0.051 (4)	0.093 (5)	−0.004 (3)	−0.012 (3)	0.013 (3)
N302	0.084 (4)	0.053 (4)	0.109 (6)	−0.001 (3)	−0.031 (4)	−0.009 (4)
N305	0.102 (5)	0.051 (4)	0.105 (6)	−0.013 (3)	−0.017 (4)	−0.007 (4)
N304	0.098 (4)	0.049 (4)	0.084 (4)	−0.017 (3)	−0.029 (4)	−0.003 (3)
N306	0.100 (5)	0.067 (5)	0.126 (7)	−0.015 (4)	−0.031 (5)	0.018 (5)
C309	0.079 (4)	0.048 (4)	0.078 (5)	−0.002 (3)	−0.007 (4)	−0.002 (3)
C316	0.085 (5)	0.047 (4)	0.106 (7)	−0.002 (3)	−0.035 (5)	−0.004 (4)
C326	0.066 (3)	0.039 (3)	0.109 (6)	−0.006 (3)	−0.010 (4)	0.002 (4)
C306	0.099 (5)	0.043 (4)	0.092 (6)	0.002 (4)	−0.019 (5)	−0.002 (4)
C313	0.082 (5)	0.054 (4)	0.103 (6)	−0.002 (4)	−0.026 (5)	−0.010 (4)
N301	0.222 (13)	0.042 (4)	0.162 (11)	0.021 (6)	0.080 (10)	0.008 (5)
C325	0.084 (4)	0.038 (4)	0.113 (6)	−0.009 (3)	−0.005 (4)	−0.001 (4)
C312	0.068 (4)	0.068 (5)	0.097 (6)	−0.007 (3)	−0.013 (4)	0.003 (4)
C327	0.110 (6)	0.040 (4)	0.127 (8)	0.000 (4)	−0.007 (6)	0.012 (4)
C324	0.084 (4)	0.045 (4)	0.111 (6)	−0.013 (3)	−0.021 (4)	0.000 (4)
C308	0.079 (4)	0.048 (4)	0.099 (6)	−0.008 (3)	−0.021 (5)	−0.007 (4)
C332	0.102 (5)	0.052 (4)	0.103 (6)	−0.002 (4)	−0.024 (5)	0.000 (4)
N307	0.109 (5)	0.051 (4)	0.168 (8)	−0.021 (4)	−0.066 (6)	0.021 (5)
C334	0.077 (4)	0.030 (3)	0.128 (7)	−0.008 (3)	−0.025 (4)	0.006 (4)
N311	0.159 (9)	0.034 (4)	0.209 (13)	0.031 (5)	0.051 (9)	0.022 (6)
C307	0.095 (6)	0.051 (4)	0.095 (6)	−0.007 (4)	−0.029 (5)	−0.010 (4)
C317	0.099 (6)	0.069 (6)	0.116 (8)	−0.025 (5)	−0.037 (6)	−0.001 (5)
C321	0.080 (4)	0.044 (4)	0.139 (8)	−0.014 (3)	−0.021 (5)	0.007 (4)
C303	0.099 (6)	0.048 (5)	0.127 (8)	0.011 (4)	−0.009 (6)	−0.001 (5)
C311	0.128 (8)	0.075 (6)	0.125 (9)	−0.047 (6)	0.037 (7)	−0.040 (6)
C319	0.108 (6)	0.051 (5)	0.140 (9)	−0.021 (4)	−0.060 (6)	0.026 (5)
C310	0.119 (7)	0.080 (7)	0.119 (8)	−0.037 (6)	0.020 (6)	−0.025 (6)
C333	0.101 (5)	0.033 (4)	0.153 (9)	0.011 (3)	−0.055 (6)	0.002 (4)
C322	0.104 (6)	0.048 (4)	0.170 (10)	−0.009 (4)	−0.073 (7)	0.015 (5)
C336	0.107 (6)	0.050 (5)	0.147 (9)	0.004 (4)	−0.067 (6)	−0.005 (5)
C318	0.094 (5)	0.064 (5)	0.128 (8)	−0.013 (4)	−0.029 (6)	0.014 (5)
C320	0.097 (5)	0.057 (5)	0.145 (9)	−0.023 (4)	−0.055 (6)	0.006 (5)
C323	0.117 (7)	0.060 (5)	0.187 (12)	0.001 (5)	−0.087 (8)	−0.001 (6)
C305	0.181 (14)	0.078 (8)	0.195 (18)	−0.006 (9)	0.069 (14)	−0.012 (9)
C328	0.118 (7)	0.038 (5)	0.238 (17)	−0.008 (5)	−0.035 (9)	−0.023 (7)
C329	0.148 (10)	0.052 (6)	0.204 (16)	−0.029 (7)	0.012 (11)	−0.017 (8)
C301	0.161 (11)	0.094 (9)	0.160 (13)	−0.009 (8)	0.068 (11)	−0.036 (9)
C330	0.213 (15)	0.032 (5)	0.201 (16)	0.007 (6)	−0.059 (12)	−0.019 (7)
C304	0.151 (11)	0.112 (10)	0.129 (10)	−0.012 (8)	0.031 (9)	−0.039 (9)
C331	0.172 (11)	0.068 (7)	0.127 (10)	0.028 (7)	−0.015 (8)	−0.009 (6)
C335	0.124 (7)	0.052 (5)	0.181 (12)	0.003 (5)	−0.083 (8)	0.003 (6)
C302	0.239 (19)	0.055 (6)	0.149 (13)	−0.016 (9)	0.047 (13)	−0.021 (7)
C315	0.128 (9)	0.144 (13)	0.173 (13)	−0.073 (9)	0.016 (9)	−0.085 (11)
I302	0.227 (4)	0.0693 (17)	0.447 (9)	−0.068 (2)	0.191 (5)	−0.099 (3)
Zn31	0.224 (9)	0.0329 (16)	0.246 (9)	0.011 (4)	0.096 (6)	0.008 (4)
I301	0.398 (8)	0.125 (3)	0.279 (5)	0.143 (4)	0.184 (5)	0.104 (3)
C314	0.139 (10)	0.126 (12)	0.153 (13)	−0.082 (10)	−0.028 (9)	−0.014 (9)
Zn32	0.0716 (14)	0.0441 (15)	0.0698 (13)	0.0028 (9)	−0.0145 (11)	−0.0030 (9)
I303	0.0869 (6)	0.0866 (11)	0.0794 (9)	0.0231 (6)	−0.0019 (7)	0.0011 (6)
I304	0.0990 (6)	0.0458 (6)	0.1114 (9)	−0.0049 (4)	−0.0017 (7)	0.0061 (6)
I405	0.207 (5)	0.0536 (15)	0.358 (11)	0.0168 (18)	−0.121 (5)	−0.001 (3)
Zn43	0.092 (3)	0.055 (3)	0.179 (5)	−0.024 (2)	−0.067 (3)	0.037 (3)
I406	0.110 (3)	0.248 (9)	0.232 (6)	−0.030 (4)	−0.042 (3)	0.138 (6)

Geometric parameters (Å, º)

I404—Zn42	2.550 (14)	C332—C333	1.360 (12)
I403—Zn42	2.532 (14)	N307—C319	1.317 (13)
I305—Zn33	2.598 (9)	N307—C323	1.291 (13)
Zn42—N312^i	1.978 (14)	N307—Zn43	2.104 (11)
Zn42—N305	2.065 (13)	C334—C333	1.398 (11)
I306—Zn33	2.481 (10)	C334—C335	1.357 (12)
I401—Zn41	2.524 (5)	N311—C329	1.27 (2)
I402—Zn41	2.522 (6)	N311—C330	1.233 (19)
Zn33—N306	2.084 (13)	N311—Zn31^iv	2.128 (10)
Zn33—N307	2.106 (11)	N311—Zn51^iv	2.34 (7)
Zn41—N301	2.062 (14)	C317—H317	0.9500
Zn41—N311^ii	2.148 (10)	C317—C318	1.385 (15)
N303—C306	1.346 (12)	C321—C322	1.371 (13)
N303—C307	1.306 (14)	C321—C320	1.418 (13)
N310—C326	1.319 (10)	C303—C304	1.423 (17)
N310—C325	1.342 (12)	C303—C302	1.35 (2)
N308—C326	1.332 (10)	C311—H311	0.9500
N308—C324	1.349 (11)	C311—C310	1.432 (15)
N309—C325	1.316 (11)	C319—H319	0.9500
N309—C324	1.331 (11)	C319—C320	1.381 (12)
N312—C332	1.317 (11)	C310—H310	0.9500
N312—C336	1.304 (12)	C333—H333	0.9500
N312—Zn32^iii	2.107 (7)	C322—H322	0.9500
N312—Zn52^iii	2.06 (11)	C322—C323	1.390 (12)
N302—C306	1.356 (13)	C336—H336	0.9500
N302—C308	1.279 (14)	C336—C335	1.396 (13)
N305—C312	1.389 (13)	C318—H318	0.9500
N305—C311	1.285 (15)	C320—H320	0.9500
N305—Zn32	2.076 (8)	C323—H323	0.9500
N305—Zn52	2.06 (11)	C305—H305	0.9500
N304—C308	1.368 (12)	C305—C304	1.37 (2)
N304—C307	1.330 (14)	C328—H328	0.9500
N306—C318	1.343 (15)	C328—C329	1.455 (17)
N306—C314	1.30 (2)	C329—H329	0.9500
N306—Zn43	2.058 (12)	C301—H301	0.9500
C309—C313	1.354 (14)	C301—C302	1.40 (2)
C309—C307	1.521 (12)	C330—H330	0.9500
C309—C310	1.378 (14)	C330—C331	1.384 (16)
C316—C308	1.474 (14)	C304—H304	0.9500
C316—C317	1.364 (17)	C331—H331	0.9500
C316—C315	1.394 (14)	C335—H335	0.9500
C326—C334	1.490 (11)	C302—H302	0.9500
C306—C303	1.455 (16)	C315—H315	0.9500
C313—H313	0.9500	C315—C314	1.41 (2)
C313—C312	1.372 (13)	I302—Zn31	2.490 (8)
N301—C305	1.31 (2)	Zn31—I301	2.542 (9)
N301—C301	1.314 (19)	I502—Zn51	2.41 (6)
N301—Zn31	2.066 (14)	I501—Zn51	2.69 (6)
N301—Zn51	2.11 (6)	C314—H314	0.9500
C325—C327	1.494 (11)	Zn32—I303	2.524 (3)
C312—H312	0.9500	Zn32—I304	2.532 (3)
C327—C328	1.374 (16)	I504—Zn52	2.47 (11)
C327—C331	1.382 (16)	I503—Zn52	2.50 (12)
C324—C321	1.435 (12)	I405—Zn43	2.601 (11)
C332—H332	0.9500	Zn43—I406	2.478 (11)
I403—Zn42—I404	129.1 (6)	N303—C307—C309	118.5 (8)
N312^i—Zn42—I404	103.7 (6)	N304—C307—C309	114.5 (11)
N312^i—Zn42—I403	109.7 (7)	C316—C317—H317	118.6
N312^i—Zn42—N305	101.4 (6)	C316—C317—C318	122.7 (10)
N305—Zn42—I404	104.6 (6)	C318—C317—H317	118.6
N305—Zn42—I403	105.1 (6)	C322—C321—C324	123.6 (8)
I306—Zn33—I305	128.1 (4)	C322—C321—C320	115.5 (8)
N306—Zn33—I305	101.1 (5)	C320—C321—C324	120.8 (8)
N306—Zn33—I306	113.1 (5)	C304—C303—C306	119.9 (11)
N306—Zn33—N307	99.7 (5)	C302—C303—C306	122.5 (11)
N307—Zn33—I305	101.4 (4)	C302—C303—C304	117.4 (14)
N307—Zn33—I306	109.5 (6)	N305—C311—H311	118.6
I402—Zn41—I401	121.9 (3)	N305—C311—C310	122.8 (10)
N301—Zn41—I401	113.9 (5)	C310—C311—H311	118.6
N301—Zn41—I402	100.3 (5)	N307—C319—H319	118.9
N301—Zn41—N311^ii	99.0 (5)	N307—C319—C320	122.2 (9)
N311^ii—Zn41—I401	110.6 (5)	C320—C319—H319	118.9
N311^ii—Zn41—I402	108.4 (5)	C309—C310—C311	116.5 (11)
C307—N303—C306	113.7 (8)	C309—C310—H310	121.7
C326—N310—C325	115.0 (6)	C311—C310—H310	121.7
C326—N308—C324	115.0 (7)	C332—C333—C334	118.9 (7)
C325—N309—C324	115.2 (7)	C332—C333—H333	120.5
Zn42^iii—N312—Zn32^iii	2.0 (4)	C334—C333—H333	120.5
Zn42^iii—N312—Zn52^iii	12 (3)	C321—C322—H322	120.0
C332—N312—Zn42^iii	122.9 (7)	C321—C322—C323	120.0 (9)
C332—N312—Zn32^iii	121.4 (6)	C323—C322—H322	120.0
C332—N312—Zn52^iii	129 (3)	N312—C336—H336	118.4
C336—N312—Zn42^iii	119.0 (6)	N312—C336—C335	123.2 (7)
C336—N312—C332	117.9 (7)	C335—C336—H336	118.4
C336—N312—Zn32^iii	120.7 (5)	N306—C318—C317	119.6 (13)
C336—N312—Zn52^iii	111 (3)	N306—C318—H318	120.2
C308—N302—C306	116.7 (8)	C317—C318—H318	120.2
C312—N305—Zn42	119.8 (9)	C321—C320—H320	120.1
C312—N305—Zn32	121.7 (8)	C319—C320—C321	119.7 (9)
C312—N305—Zn52	108 (3)	C319—C320—H320	120.1
C311—N305—Zn42	121.2 (7)	N307—C323—C322	123.4 (10)
C311—N305—C312	118.4 (8)	N307—C323—H323	118.3
C311—N305—Zn32	119.8 (6)	C322—C323—H323	118.3
C311—N305—Zn52	133 (3)	N301—C305—H305	117.2
C307—N304—C308	114.2 (10)	N301—C305—C304	125.7 (17)
C318—N306—Zn33	115.4 (10)	C304—C305—H305	117.2
C318—N306—Zn43	128.2 (11)	C327—C328—H328	121.5
C314—N306—Zn33	125.3 (8)	C327—C328—C329	117.0 (12)
C314—N306—C318	118.6 (10)	C329—C328—H328	121.5
C314—N306—Zn43	113.1 (8)	N311—C329—C328	120.9 (13)
C313—C309—C307	123.6 (8)	N311—C329—H329	119.5
C313—C309—C310	121.5 (8)	C328—C329—H329	119.5
C310—C309—C307	114.9 (10)	N301—C301—H301	119.5
C317—C316—C308	123.5 (8)	N301—C301—C302	121.1 (15)
C317—C316—C315	117.1 (10)	C302—C301—H301	119.5
C315—C316—C308	119.4 (12)	N311—C330—H330	117.9
N310—C326—N308	125.0 (7)	N311—C330—C331	124.2 (14)
N310—C326—C334	116.3 (7)	C331—C330—H330	117.9
N308—C326—C334	118.6 (7)	C303—C304—H304	121.8
N303—C306—N302	124.2 (11)	C305—C304—C303	116.4 (15)
N303—C306—C303	115.6 (9)	C305—C304—H304	121.8
N302—C306—C303	120.2 (8)	C327—C331—C330	118.2 (12)
C309—C313—H313	120.8	C327—C331—H331	120.9
C309—C313—C312	118.4 (9)	C330—C331—H331	120.9
C312—C313—H313	120.8	C334—C335—C336	118.6 (9)
C305—N301—Zn41	114.2 (13)	C334—C335—H335	120.7
C305—N301—C301	118.2 (15)	C336—C335—H335	120.7
C305—N301—Zn31	128.8 (12)	C303—C302—C301	120.9 (14)
C305—N301—Zn51	141 (2)	C303—C302—H302	119.5
C301—N301—Zn41	126.3 (12)	C301—C302—H302	119.5
C301—N301—Zn31	113.0 (12)	C316—C315—H315	121.7
C301—N301—Zn51	97 (2)	C316—C315—C314	116.6 (16)
N310—C325—C327	114.9 (7)	C314—C315—H315	121.7
N309—C325—N310	125.4 (7)	N301—Zn31—N311^ii	99.5 (5)
N309—C325—C327	119.6 (7)	N301—Zn31—I302	113.1 (6)
N305—C312—H312	119.1	N301—Zn31—I301	102.4 (5)
C313—C312—N305	121.9 (10)	N311^ii—Zn31—I302	116.9 (5)
C313—C312—H312	119.1	N311^ii—Zn31—I301	99.2 (5)
C328—C327—C325	121.3 (9)	I302—Zn31—I301	122.2 (3)
C328—C327—C331	117.6 (10)	N301—Zn51—N311^ii	92 (2)
C331—C327—C325	121.0 (9)	N301—Zn51—I502	128 (3)
N308—C324—C321	115.5 (7)	N301—Zn51—I501	97 (2)
N309—C324—N308	124.3 (7)	N311^ii—Zn51—I502	128 (3)
N309—C324—C321	120.2 (7)	N311^ii—Zn51—I501	88.1 (19)
N302—C308—N304	124.1 (8)	I502—Zn51—I501	114 (3)
N302—C308—C316	119.0 (8)	N306—C314—C315	125.0 (12)
N304—C308—C316	116.9 (10)	N306—C314—H314	117.5
N312—C332—H332	118.3	C315—C314—H314	117.5
N312—C332—C333	123.3 (8)	N312^i—Zn32—I303	102.6 (3)
C333—C332—H332	118.3	N312^i—Zn32—I304	110.0 (2)
C319—N307—Zn33	114.0 (7)	N305—Zn32—N312^i	96.8 (3)
C319—N307—Zn43	124.4 (6)	N305—Zn32—I303	108.9 (3)
C323—N307—Zn33	126.0 (7)	N305—Zn32—I304	106.8 (3)
C323—N307—C319	119.0 (8)	I303—Zn32—I304	127.57 (14)
C323—N307—Zn43	116.6 (7)	N312^i—Zn52—N305	99 (5)
C333—C334—C326	121.6 (7)	N312^i—Zn52—I504	90 (4)
C335—C334—C326	120.8 (7)	N312^i—Zn52—I503	113 (5)
C335—C334—C333	117.5 (8)	N305—Zn52—I504	114 (5)
Zn41^iv—N311—Zn51^iv	37.4 (13)	N305—Zn52—I503	132 (5)
C329—N311—Zn41^iv	127.0 (11)	I504—Zn52—I503	101 (4)
C329—N311—Zn31^iv	109.3 (10)	N306—Zn43—N307	100.6 (5)
C329—N311—Zn51^iv	89.6 (16)	N306—Zn43—I405	107.9 (6)
C330—N311—Zn41^iv	111.3 (10)	N306—Zn43—I406	103.1 (6)
C330—N311—C329	121.5 (10)	N307—Zn43—I405	110.6 (6)
C330—N311—Zn31^iv	129.1 (11)	N307—Zn43—I406	102.6 (6)
C330—N311—Zn51^iv	148.4 (16)	I406—Zn43—I405	128.6 (5)
N303—C307—N304	127.1 (8)
Zn42^iii—N312—C332—C333	170.0 (11)	C324—C321—C320—C319	−179.0 (12)
Zn42^iii—N312—C336—C335	−170.4 (13)	C308—N302—C306—N303	−0.8 (12)
Zn42—N305—C312—C313	165.2 (7)	C308—N302—C306—C303	−178.3 (8)
Zn42—N305—C311—C310	−161.9 (11)	C308—N304—C307—N303	3.3 (12)
Zn33—N306—C318—C317	173.2 (8)	C308—N304—C307—C309	−175.8 (6)
Zn33—N306—C314—C315	−176.3 (15)	C308—C316—C317—C318	−178.9 (9)
Zn33—N307—C319—C320	173.1 (11)	C308—C316—C315—C314	175.4 (14)
Zn33—N307—C323—C322	−171.1 (13)	C332—N312—C336—C335	5 (2)
Zn41—N301—C305—C304	167.9 (16)	N307—C319—C320—C321	−1 (2)
Zn41—N301—C301—C302	−169.9 (13)	N311—C330—C331—C327	−6 (3)
Zn41^iv—N311—C329—C328	178.0 (12)	C307—N303—C306—N302	2.1 (12)
Zn41^iv—N311—C330—C331	−177.3 (18)	C307—N303—C306—C303	179.7 (7)
N303—C306—C303—C304	168.8 (11)	C307—N304—C308—N302	−1.7 (11)
N303—C306—C303—C302	−15.9 (15)	C307—N304—C308—C316	175.1 (7)
N310—C326—C334—C333	−177.7 (11)	C307—C309—C313—C312	−176.0 (7)
N310—C326—C334—C335	−1.8 (17)	C307—C309—C310—C311	178.9 (10)
N310—C325—C327—C328	174.4 (14)	C317—C316—C308—N302	−158.3 (9)
N310—C325—C327—C331	−1.1 (18)	C317—C316—C308—N304	24.8 (12)
N308—C326—C334—C333	−1.6 (16)	C317—C316—C315—C314	−5 (2)
N308—C326—C334—C335	174.3 (12)	C321—C322—C323—N307	0 (3)
N308—C324—C321—C322	3.1 (18)	C311—N305—C312—C313	−5.5 (14)
N308—C324—C321—C320	−179.6 (11)	C319—N307—C323—C322	−3 (3)
N309—C325—C327—C328	−2.2 (19)	C310—C309—C313—C312	3.2 (13)
N309—C325—C327—C331	−177.6 (13)	C310—C309—C307—N303	1.9 (12)
N309—C324—C321—C322	−175.7 (13)	C310—C309—C307—N304	−178.9 (8)
N309—C324—C321—C320	1.6 (18)	C333—C334—C335—C336	−7 (2)
N312—C332—C333—C334	−1 (2)	C322—C321—C320—C319	−1.6 (19)
N312—C336—C335—C334	1 (2)	C336—N312—C332—C333	−4.9 (18)
N302—C306—C303—C304	−13.5 (15)	C318—N306—C314—C315	−6 (3)
N302—C306—C303—C302	161.8 (11)	C320—C321—C322—C323	2 (2)
N305—C311—C310—C309	−6 (2)	C323—N307—C319—C320	3 (2)
C309—C313—C312—N305	−0.4 (12)	C305—N301—C301—C302	−4 (3)
C316—C317—C318—N306	0.1 (15)	C328—C327—C331—C330	6 (3)
C316—C315—C314—N306	8 (3)	C329—N311—C330—C331	7 (3)
C326—N310—C325—N309	2.4 (16)	C301—N301—C305—C304	1 (3)
C326—N310—C325—C327	−173.9 (10)	C330—N311—C329—C328	−7 (3)
C326—N308—C324—N309	2.8 (15)	C304—C303—C302—C301	−6 (2)
C326—N308—C324—C321	−176.0 (10)	C331—C327—C328—C329	−6 (2)
C326—C334—C333—C332	−177.2 (11)	C335—C334—C333—C332	6.8 (19)
C326—C334—C335—C336	177.0 (13)	C302—C303—C304—C305	2 (2)
C306—N303—C307—N304	−3.5 (12)	C315—C316—C308—N302	21.2 (14)
C306—N303—C307—C309	175.6 (7)	C315—C316—C308—N304	−155.7 (12)
C306—N302—C308—N304	0.6 (12)	C315—C316—C317—C318	1.5 (16)
C306—N302—C308—C316	−176.1 (7)	Zn31—N301—C305—C304	−178.8 (14)
C306—C303—C304—C305	177.5 (13)	Zn31—N301—C301—C302	175.2 (14)
C306—C303—C302—C301	179.1 (13)	Zn31^iv—N311—C329—C328	175.3 (14)
C313—C309—C307—N303	−178.9 (8)	Zn31^iv—N311—C330—C331	−175.8 (15)
C313—C309—C307—N304	0.3 (11)	Zn51—N301—C305—C304	−153 (3)
C313—C309—C310—C311	−0.3 (16)	Zn51—N301—C301—C302	159 (2)
N301—C305—C304—C303	0 (3)	Zn51^iv—N311—C329—C328	179 (2)
N301—C301—C302—C303	7 (3)	Zn51^iv—N311—C330—C331	175 (3)
C325—N310—C326—N308	1.2 (16)	C314—N306—C318—C317	2.0 (17)
C325—N310—C326—C334	177.0 (9)	Zn32^iii—N312—C332—C333	171.4 (10)
C325—N309—C324—N308	0.2 (16)	Zn32^iii—N312—C336—C335	−171.7 (12)
C325—N309—C324—C321	178.9 (10)	Zn32—N305—C312—C313	169.4 (6)
C325—C327—C328—C329	178.6 (14)	Zn32—N305—C311—C310	−166.4 (10)
C325—C327—C331—C330	−178.7 (16)	Zn52^iii—N312—C332—C333	157 (4)
C312—N305—C311—C310	8.7 (18)	Zn52^iii—N312—C336—C335	−160 (3)
C327—C328—C329—N311	6 (3)	Zn52—N305—C312—C313	166 (3)
C324—N308—C326—N310	−3.5 (15)	Zn52—N305—C311—C310	−161 (5)
C324—N308—C326—C334	−179.3 (9)	Zn43—N306—C318—C317	179.3 (8)
C324—N309—C325—N310	−3.0 (16)	Zn43—N306—C314—C315	176.1 (16)
C324—N309—C325—C327	173.2 (10)	Zn43—N307—C319—C320	−176.8 (11)
C324—C321—C322—C323	179.6 (14)	Zn43—N307—C323—C322	177.4 (14)

Symmetry codes: (i) x−1/2, −y+1/2, z−1/2; (ii) x−1/2, y+1/2, z; (iii) x+1/2, −y+1/2, z+1/2; (iv) x+1/2, y−1/2, z.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (25_10_48a)

Crystal data

C72H48I12N24Zn6·0.768(C15H16O3)·0.65(C6H12)	F(000) = 6380
Mr = 3406.68	Dx = 1.420 Mg m^−3
Monoclinic, P2/n	Cu Kα radiation, λ = 1.54184 Å
a = 31.5433 (11) Å	Cell parameters from 14091 reflections
b = 15.0035 (3) Å	θ = 2.9–69.9°
c = 34.4229 (12) Å	µ = 19.55 mm^−1
β = 101.974 (3)°	T = 100 K
V = 15936.5 (9) Å^3	Block, light yellow
Z = 4	0.15 × 0.12 × 0.07 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	28969 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	18748 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.056
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −38→38
Absorption correction: analytical CrysAlisPro 1.171.41.89a (Rigaku Oxford Diffraction, 2020) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −16→18
Tmin = 0.172, Tmax = 0.392	l = −40→41
103867 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.098	H-atom parameters constrained
wR(F^2) = 0.307	w = 1/[σ^2(Fo^2) + (0.140P)^2 + 112.4011P] where P = (Fo^2 + 2Fc^2)/3
S = 1.05	(Δ/σ)max = 0.004
28969 reflections	Δρmax = 1.24 e Å^−3
1675 parameters	Δρmin = −0.92 e Å^−3
794 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). Exchange site B was located over a two-fold symmetry axis and was modelled in PART -1. During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I307	0.38286 (9)	1.3867 (3)	0.73706 (13)	0.0910 (15)	0.62 (2)
I312	0.5832 (2)	0.0099 (4)	0.36021 (18)	0.160 (3)	0.4923
I309	0.70525 (9)	0.9808 (2)	0.51092 (10)	0.0774 (5)	0.5804
I308	0.4355 (2)	1.4763 (4)	0.63205 (19)	0.196 (4)	0.62 (2)
I306	0.1043 (2)	1.4944 (5)	0.3670 (3)	0.0863 (17)	0.3818
I401	−0.1438 (2)	0.1001 (5)	0.72321 (19)	0.072 (2)	0.270 (16)
I311	0.4836 (3)	0.1799 (7)	0.3987 (3)	0.185 (4)	0.4923
I310	0.80188 (10)	0.90093 (15)	0.61715 (9)	0.0922 (7)	0.5804
I303	0.1733 (4)	0.5407 (5)	0.4953 (3)	0.276 (6)	0.484 (3)
I304	0.2817 (3)	0.5472 (4)	0.5959 (3)	0.269 (5)	0.484 (3)
I402	−0.0671 (2)	−0.0002 (3)	0.63512 (16)	0.074 (3)	0.270 (16)
I305	−0.0028 (2)	1.3318 (8)	0.4007 (3)	0.103 (2)	0.3818
Zn34	0.4095 (2)	1.3578 (4)	0.6738 (2)	0.124 (4)	0.62 (2)
Zn36	0.5503 (3)	0.1587 (6)	0.3692 (3)	0.110 (4)	0.4923
Zn33	0.0702 (4)	1.3475 (8)	0.3809 (3)	0.065 (4)	0.3818
Zn41	−0.1037 (3)	0.1193 (6)	0.6677 (3)	0.053 (3)	0.270 (16)
Zn32	0.2074 (4)	0.5984 (5)	0.5625 (3)	0.178 (5)	0.484 (3)
Zn35	0.72797 (16)	0.8854 (4)	0.57223 (15)	0.0682 (10)	0.5804
N310	0.2304 (3)	1.1904 (5)	0.5386 (3)	0.062 (2)
N313	0.4574 (3)	1.2582 (7)	0.6862 (3)	0.074 (3)
N309	0.1898 (3)	1.0571 (5)	0.5215 (3)	0.062 (2)
N315	0.5370 (3)	0.9766 (6)	0.7292 (3)	0.070 (3)
N303	0.0178 (3)	0.5161 (6)	0.7217 (3)	0.069 (3)
N308	0.2504 (3)	1.0603 (5)	0.5761 (3)	0.063 (2)
N322	0.7235 (4)	0.2967 (6)	0.5212 (3)	0.077 (3)
N304	0.0741 (4)	0.5989 (7)	0.7021 (3)	0.075 (3)
N312	0.3613 (3)	1.2845 (6)	0.6378 (3)	0.080 (3)
N314	0.5678 (3)	1.0235 (7)	0.6753 (3)	0.071 (3)
N307	0.2104 (4)	0.7358 (7)	0.5590 (3)	0.083 (3)
N319	0.7202 (4)	0.7501 (7)	0.5575 (4)	0.087 (3)
N302	0.0487 (4)	0.4657 (7)	0.6678 (3)	0.079 (3)
N316	0.5936 (4)	0.8931 (7)	0.7109 (3)	0.079 (3)
N305	0.0451 (4)	0.7660 (8)	0.8207 (3)	0.079 (3)
N320	0.6877 (3)	0.4355 (6)	0.5059 (3)	0.078 (3)
N321	0.7463 (4)	0.4226 (7)	0.5619 (3)	0.083 (3)
C321	0.2143 (4)	0.9190 (7)	0.5552 (3)	0.061 (3)
N311	0.1143 (4)	1.2812 (6)	0.4229 (3)	0.083 (3)
N317	0.5662 (4)	0.7344 (7)	0.8311 (3)	0.086 (3)
N323	0.8514 (4)	0.1928 (6)	0.6239 (4)	0.094 (4)
C309	0.0449 (5)	0.6498 (7)	0.7572 (4)	0.071 (3)
C342	0.5413 (4)	1.0323 (8)	0.6999 (3)	0.064 (3)
N301	−0.0582 (4)	0.2261 (9)	0.6810 (4)	0.094 (4)
N324	0.6019 (4)	0.2184 (7)	0.4090 (4)	0.086 (3)
C326	0.2546 (3)	1.1438 (6)	0.5678 (3)	0.057 (3)
C325	0.1974 (4)	1.1429 (7)	0.5170 (3)	0.063 (3)
N306	0.1616 (5)	0.5788 (7)	0.5970 (4)	0.091 (4)
C327	0.1683 (4)	1.1911 (7)	0.4852 (3)	0.066 (3)
C324	0.2182 (4)	1.0180 (6)	0.5509 (3)	0.062 (3)
C343	0.5655 (4)	0.9065 (8)	0.7336 (4)	0.066 (3)
C345	0.5656 (4)	0.8462 (8)	0.7662 (4)	0.074 (3)
C306	0.0216 (5)	0.4587 (8)	0.6926 (4)	0.075 (3)
C339	0.5135 (4)	1.1134 (8)	0.6958 (4)	0.065 (3)
C334	0.2915 (4)	1.1950 (6)	0.5927 (3)	0.065 (3)
C307	0.0453 (4)	0.5846 (7)	0.7243 (3)	0.068 (3)
C323	0.2339 (5)	0.7813 (8)	0.5880 (4)	0.081 (4)
H323	0.249482	0.750160	0.610523	0.097*
C303	−0.0047 (4)	0.3771 (8)	0.6890 (4)	0.075 (4)
N318	0.6802 (5)	0.9044 (9)	0.6044 (4)	0.100 (4)
C361	0.7483 (4)	0.3367 (7)	0.5512 (4)	0.076 (4)
C362	0.6925 (5)	0.3489 (9)	0.5001 (4)	0.083 (4)
C338	0.4908 (4)	1.1355 (8)	0.7238 (4)	0.076 (4)
H338	0.494184	1.100723	0.747325	0.092*
C331	0.1763 (4)	1.2769 (8)	0.4747 (4)	0.078 (4)
H331	0.200853	1.308062	0.488984	0.094*
C333	0.3193 (5)	1.1515 (8)	0.6231 (4)	0.086 (4)
H333	0.315079	1.090524	0.628732	0.103*
C352	0.6231 (5)	0.9362 (9)	0.6543 (4)	0.085 (4)
C370	0.6617 (5)	0.3022 (8)	0.4679 (4)	0.084 (4)
C302	−0.0318 (5)	0.3601 (9)	0.7153 (4)	0.090 (4)
H302	−0.032560	0.399298	0.736784	0.108*
C357	0.7154 (4)	0.5666 (8)	0.5441 (4)	0.074 (3)
C316	0.1043 (5)	0.5531 (8)	0.6472 (4)	0.078 (4)
C337	0.4630 (4)	1.2073 (8)	0.7190 (4)	0.075 (3)
H337	0.447472	1.221034	0.739139	0.090*
C301	−0.0586 (5)	0.2821 (8)	0.7092 (4)	0.083 (4)
H301	−0.077518	0.271286	0.726849	0.099*
C360	0.7154 (5)	0.4690 (7)	0.5363 (4)	0.079 (4)
C344	0.5929 (5)	0.9525 (9)	0.6820 (4)	0.081 (4)
C319	0.1891 (5)	0.7793 (8)	0.5285 (4)	0.083 (4)
H319	0.173077	0.745929	0.506943	0.100*
C322	0.2370 (5)	0.8732 (8)	0.5871 (4)	0.082 (4)
H322	0.254848	0.904162	0.608438	0.099*
C363	0.7842 (4)	0.2838 (8)	0.5767 (4)	0.082 (4)
C308	0.0741 (4)	0.5370 (8)	0.6738 (4)	0.074 (3)
C310	0.0176 (5)	0.6405 (10)	0.7823 (4)	0.090 (4)
H310	−0.003082	0.593550	0.778047	0.109*
C330	0.1488 (5)	1.3178 (8)	0.4436 (4)	0.084 (4)
H330	0.155588	1.376789	0.436853	0.100*
C335	0.2998 (4)	1.2794 (8)	0.5845 (4)	0.086 (4)
H335	0.281736	1.308884	0.562725	0.104*
C320	0.1885 (5)	0.8700 (8)	0.5255 (4)	0.083 (4)
H320	0.170660	0.898815	0.503396	0.099*
C346	0.5318 (6)	0.8386 (11)	0.7847 (5)	0.103 (5)
H346	0.506095	0.871508	0.774640	0.124*
C313	0.0688 (5)	0.7267 (10)	0.7603 (5)	0.088 (4)
H313	0.085262	0.741430	0.741095	0.106*
C336	0.3349 (5)	1.3249 (8)	0.6076 (5)	0.094 (5)
H336	0.340049	1.385342	0.601788	0.113*
C367	0.7904 (5)	0.1964 (8)	0.5710 (5)	0.089 (4)
H367	0.771738	0.165352	0.550246	0.107*
C371	0.6652 (5)	0.2145 (8)	0.4592 (4)	0.093 (5)
H371	0.689025	0.181121	0.473422	0.111*
C328	0.1315 (5)	1.1513 (7)	0.4632 (4)	0.096 (5)
H328	0.124434	1.091645	0.468583	0.115*
C340	0.5093 (5)	1.1671 (10)	0.6638 (5)	0.090 (4)
H340	0.525844	1.155172	0.644231	0.107*
C368	0.5983 (5)	0.3037 (8)	0.4165 (5)	0.105 (6)
H368	0.574120	0.334943	0.401528	0.127*
C359	0.6950 (5)	0.7198 (8)	0.5256 (5)	0.085 (4)
H359	0.678125	0.760003	0.507396	0.102*
O3A	0.2550 (6)	0.9703 (10)	0.6849 (4)	0.087 (5)	0.5723
C332	0.3534 (5)	1.1998 (8)	0.6453 (4)	0.092 (5)
H332	0.372104	1.170945	0.666887	0.110*
C369	0.6276 (5)	0.3516 (9)	0.4449 (5)	0.103 (6)
H369	0.624720	0.413882	0.448450	0.124*
C355	0.7421 (6)	0.6932 (10)	0.5836 (5)	0.104 (5)
H355	0.759135	0.715803	0.607575	0.125*
O2A	0.3917 (5)	0.9262 (10)	0.7662 (5)	0.083 (4)	0.5723
C372	0.6356 (5)	0.1739 (9)	0.4309 (4)	0.092 (5)
H372	0.638582	0.112023	0.426323	0.110*
C317	0.1396 (7)	0.6056 (12)	0.6579 (6)	0.115 (6)
H317	0.145485	0.634122	0.683111	0.138*
C312	0.0682 (5)	0.7826 (10)	0.7925 (5)	0.104 (6)
H312	0.084993	0.835636	0.794729	0.125*
C341	0.4812 (5)	1.2395 (10)	0.6589 (5)	0.093 (4)
H341	0.478666	1.276218	0.636012	0.111*
C329	0.1052 (5)	1.1990 (10)	0.4333 (5)	0.106 (6)
H329	0.079194	1.171780	0.419459	0.127*
C351	0.6182 (6)	0.9786 (10)	0.6181 (5)	0.101 (5)
H351	0.596030	1.021661	0.610245	0.121*
C366	0.8242 (5)	0.1517 (9)	0.5958 (4)	0.093 (5)
H366	0.827681	0.089520	0.592130	0.111*
C358	0.6923 (5)	0.6259 (9)	0.5177 (5)	0.091 (4)
H358	0.674254	0.604640	0.493948	0.109*
C311	0.0188 (6)	0.6980 (9)	0.8146 (4)	0.095 (5)
H311	0.000013	0.687391	0.832362	0.114*
C364	0.8118 (6)	0.3289 (8)	0.6070 (5)	0.131 (8)
H364	0.808040	0.389882	0.612862	0.157*
C356	0.7410 (6)	0.6037 (9)	0.5774 (5)	0.104 (5)
H356	0.758289	0.565897	0.596460	0.124*
C318	0.1669 (7)	0.6172 (11)	0.6318 (6)	0.117 (6)
H318	0.191151	0.655536	0.639561	0.141*
C347	0.5333 (6)	0.7840 (11)	0.8180 (5)	0.109 (6)
H347	0.509565	0.783912	0.831140	0.131*
C350	0.6464 (7)	0.9572 (13)	0.5934 (5)	0.115 (6)
H350	0.641053	0.981653	0.567425	0.138*
C314	0.1253 (6)	0.5270 (11)	0.5866 (5)	0.106 (5)
H314	0.118903	0.500982	0.560836	0.127*
C305	−0.0339 (7)	0.2409 (11)	0.6561 (7)	0.132 (8)
H305	−0.035087	0.201012	0.634442	0.159*
C365	0.8452 (6)	0.2768 (10)	0.6280 (6)	0.134 (8)
H365	0.865911	0.306623	0.647763	0.161*
O1A	0.2905 (5)	0.7613 (11)	0.8065 (5)	0.099 (6)	0.5723
H1AA	0.304100	0.758250	0.830199	0.148*	0.5723
C3A	0.3249 (5)	0.8279 (9)	0.6782 (5)	0.063 (5)	0.5723
H3A	0.328815	0.871642	0.659296	0.075*	0.5723
C304	−0.0038 (6)	0.3186 (12)	0.6600 (6)	0.116 (6)
H304	0.015474	0.326156	0.642338	0.139*
C315	0.0990 (7)	0.5119 (12)	0.6109 (5)	0.113 (6)
H315	0.075607	0.471399	0.603130	0.135*
C353	0.6572 (8)	0.8739 (14)	0.6630 (6)	0.142 (9)
H353	0.661526	0.840559	0.686924	0.170*
C4A	0.3198 (7)	0.8543 (8)	0.7160 (5)	0.064 (5)	0.5723
C7A	0.3238 (6)	0.9515 (9)	0.7258 (5)	0.066 (5)	0.5723
C12A	0.2906 (7)	1.0097 (10)	0.7092 (6)	0.079 (6)	0.5723
C1A	0.3177 (6)	0.6744 (10)	0.6955 (5)	0.081 (7)	0.5723
H1A	0.316392	0.613094	0.688500	0.097*	0.5723
C6A	0.3131 (6)	0.7005 (9)	0.7332 (6)	0.087 (7)	0.5723
H6A	0.308926	0.656233	0.751775	0.104*	0.5723
C8A	0.3606 (6)	0.9866 (10)	0.7513 (6)	0.075 (5)	0.5723
C354	0.6836 (8)	0.8617 (15)	0.6373 (7)	0.147 (9)
H354	0.706162	0.818905	0.643909	0.177*
C10A	0.3319 (8)	1.1340 (12)	0.7421 (7)	0.101 (8)	0.5723
H10A	0.334698	1.196089	0.747490	0.121*	0.5723
C348	0.6033 (7)	0.7499 (18)	0.8172 (7)	0.106 (6)	0.69 (2)
H348	0.629711	0.724784	0.831126	0.128*	0.69 (2)
C5A	0.3145 (6)	0.7902 (9)	0.7445 (5)	0.076 (6)	0.5723
C9A	0.3647 (8)	1.0770 (11)	0.7584 (7)	0.093 (7)	0.5723
H9A	0.390431	1.099845	0.774764	0.112*	0.5723
C2A	0.3243 (6)	0.7384 (10)	0.6681 (5)	0.078 (6)	0.5723
H2A	0.328305	0.720812	0.642559	0.093*	0.5723
C349	0.6037 (7)	0.8005 (18)	0.7838 (7)	0.106 (6)	0.69 (2)
H349	0.628987	0.804371	0.773015	0.128*	0.69 (2)
C11A	0.2949 (8)	1.1010 (11)	0.7178 (7)	0.096 (7)	0.5723
H11A	0.272034	1.140612	0.706728	0.115*	0.5723
C15A	0.2163 (10)	1.022 (2)	0.6705 (8)	0.118 (11)	0.5723
H15A	0.222853	1.070222	0.653659	0.178*	0.5723
H15B	0.205746	1.046475	0.693058	0.178*	0.5723
H15C	0.193976	0.983008	0.654976	0.178*	0.5723
C13A	0.3114 (9)	0.8218 (13)	0.7856 (6)	0.096 (8)	0.5723
H13A	0.340990	0.833005	0.801178	0.115*	0.5723
H13B	0.295487	0.879115	0.783123	0.115*	0.5723
I412	0.58617 (10)	0.0052 (3)	0.34801 (13)	0.0767 (7)	0.491
Zn46	0.5556 (2)	0.1496 (5)	0.3695 (2)	0.072 (2)	0.491
I411	0.48640 (13)	0.1626 (5)	0.39547 (15)	0.0953 (11)	0.491
I408	0.43930 (15)	1.4646 (4)	0.6293 (2)	0.095 (2)	0.38 (2)
Zn44	0.4111 (2)	1.3534 (5)	0.6737 (2)	0.058 (3)	0.38 (2)
I407	0.3786 (4)	1.4002 (9)	0.7293 (4)	0.204 (7)	0.38 (2)
I302	−0.06489 (17)	0.0169 (5)	0.6256 (3)	0.210 (3)	0.730 (16)
Zn31	−0.1012 (2)	0.1288 (4)	0.6636 (2)	0.132 (3)	0.730 (16)
I301	−0.1321 (3)	0.0984 (3)	0.72390 (14)	0.171 (2)	0.730 (16)
I410	0.7911 (3)	0.9266 (5)	0.6037 (3)	0.246 (5)	0.3941
I409	0.6855 (3)	0.9692 (4)	0.4982 (2)	0.192 (4)	0.3941
Zn45	0.7168 (4)	0.8879 (6)	0.5624 (4)	0.173 (7)	0.3941
I403	0.17231 (11)	0.5344 (3)	0.49309 (9)	0.0874 (9)	0.455 (3)
Zn42	0.20518 (15)	0.5958 (3)	0.56104 (13)	0.0615 (15)	0.455 (3)
I404	0.27669 (9)	0.53644 (18)	0.59981 (11)	0.0822 (8)	0.455 (3)
I504	0.3069 (5)	0.5922 (13)	0.6247 (5)	0.080*	0.0608 (19)
I503	0.2095 (5)	0.5142 (13)	0.5208 (5)	0.080*	0.0608 (19)
Zn52	0.2356 (11)	0.611 (3)	0.5817 (11)	0.080*	0.0608 (19)
I509	0.6374 (12)	0.938 (3)	0.4755 (10)	0.080*	0.0255
I510	0.7580 (11)	0.959 (3)	0.5646 (11)	0.080*	0.0255
Zn55	0.6844 (15)	0.887 (5)	0.5403 (16)	0.080*	0.0255
I512	0.5535 (18)	0.018 (4)	0.3847 (18)	0.080*	0.0167
Zn56	0.539 (3)	0.193 (6)	0.393 (4)	0.080*	0.0167
I511	0.4619 (18)	0.243 (4)	0.4068 (17)	0.080*	0.0167
I406	0.1108 (4)	1.4842 (5)	0.3572 (2)	0.183 (6)	0.4617
Zn43	0.0741 (4)	1.3485 (8)	0.3788 (4)	0.111 (7)	0.4617
I405	0.0026 (3)	1.3472 (10)	0.4008 (3)	0.189 (6)	0.4617
I506	0.0872 (10)	1.4914 (17)	0.3767 (7)	0.168 (13)	0.1565
I505	−0.0161 (10)	1.303 (2)	0.3981 (9)	0.230 (16)	0.1565
Zn53	0.0592 (16)	1.337 (3)	0.3755 (13)	0.15 (2)	0.1565
C14A	0.4296 (9)	0.959 (2)	0.7931 (12)	0.135 (13)	0.5723
H14A	0.448058	0.990709	0.778017	0.202*	0.5723
H14B	0.445685	0.908690	0.807211	0.202*	0.5723
H14C	0.420868	0.999639	0.812245	0.202*	0.5723
C449	0.5785 (18)	0.7563 (19)	0.7653 (11)	0.106 (6)	0.31 (2)
H449	0.586945	0.732890	0.742449	0.128*	0.31 (2)
C448	0.5787 (18)	0.703 (2)	0.7979 (10)	0.106 (6)	0.31 (2)
H448	0.587710	0.642374	0.797279	0.128*	0.31 (2)
C4B	0.7353 (13)	0.748 (3)	0.7557 (11)	0.165 (18)	0.1959
C5B	0.7589 (13)	0.738 (3)	0.7261 (12)	0.169 (18)	0.1959
C6B	0.7796 (14)	0.811 (4)	0.7135 (15)	0.17 (2)	0.1959
H6B	0.795774	0.804318	0.693245	0.207*	0.1959
C1B	0.7767 (17)	0.894 (4)	0.7305 (19)	0.17 (2)	0.1959
H1B	0.790803	0.944393	0.721857	0.204*	0.1959
C2B	0.7530 (17)	0.905 (3)	0.7601 (18)	0.17 (2)	0.1959
H2B	0.751020	0.961503	0.771684	0.200*	0.1959
C3B	0.7324 (15)	0.832 (3)	0.7727 (13)	0.159 (19)	0.1959
H3B	0.716209	0.838536	0.792900	0.191*	0.1959
C7B	0.7225 (12)	0.667 (3)	0.7752 (12)	0.172 (16)	0.1959
C12B	0.6847 (13)	0.624 (4)	0.7567 (13)	0.181 (19)	0.1959
C11B	0.6760 (18)	0.538 (4)	0.7684 (17)	0.18 (2)	0.1959
H11B	0.650112	0.508767	0.755768	0.212*	0.1959
C10B	0.705 (2)	0.496 (3)	0.7986 (19)	0.18 (2)	0.1959
H10B	0.699109	0.437199	0.806542	0.212*	0.1959
C9B	0.7429 (19)	0.539 (4)	0.8171 (15)	0.17 (2)	0.1959
H9B	0.762804	0.509719	0.837674	0.198*	0.1959
C8B	0.7516 (13)	0.624 (3)	0.8054 (11)	0.162 (18)	0.1959
O3B	0.660 (2)	0.675 (5)	0.7270 (18)	0.19 (2)	0.1959
C15B	0.639 (5)	0.631 (8)	0.691 (3)	0.22 (4)	0.1959
H15D	0.626191	0.675512	0.671555	0.335*	0.1959
H15E	0.615872	0.592432	0.697244	0.335*	0.1959
H15F	0.659859	0.594679	0.680996	0.335*	0.1959
C4	0.5625 (19)	0.430 (6)	0.689 (2)	0.15 (2)	0.1847
H4A	0.541411	0.431383	0.706570	0.181*	0.1847
H4B	0.547498	0.405825	0.662888	0.181*	0.1847
C5	0.578 (2)	0.525 (5)	0.683 (2)	0.15 (2)	0.1847
H5A	0.553136	0.563756	0.673072	0.180*	0.1847
H5B	0.597149	0.524352	0.663647	0.180*	0.1847
C6	0.604 (2)	0.562 (4)	0.723 (2)	0.15 (2)	0.1847
H6C	0.614988	0.622120	0.718490	0.181*	0.1847
H6D	0.583940	0.568729	0.741688	0.181*	0.1847
C7	0.6417 (19)	0.502 (5)	0.742 (2)	0.15 (2)	0.1847
H7A	0.663938	0.503775	0.725189	0.175*	0.1847
H7B	0.655015	0.524770	0.768354	0.175*	0.1847
C10	0.628 (2)	0.405 (5)	0.745 (2)	0.15 (2)	0.1847
H10C	0.611181	0.400860	0.766767	0.179*	0.1847
H10D	0.654094	0.367437	0.753310	0.179*	0.1847
C11	0.600 (2)	0.368 (4)	0.707 (2)	0.15 (2)	0.1847
H11C	0.588455	0.309079	0.712353	0.175*	0.1847
H11D	0.618798	0.358952	0.687327	0.175*	0.1847
O2B	0.7888 (16)	0.668 (4)	0.8227 (16)	0.162 (19)	0.1959
C12	0.1733 (11)	1.319 (3)	0.5948 (10)	0.080*	0.2419
H12A	0.167231	1.381693	0.600890	0.096*	0.2419
H12B	0.190830	1.319328	0.574087	0.096*	0.2419
C13	0.1992 (9)	1.274 (3)	0.6325 (11)	0.080*	0.2419
H13E	0.225528	1.309412	0.643151	0.096*	0.2419
H13F	0.208438	1.213872	0.625800	0.096*	0.2419
C14	0.1715 (11)	1.266 (3)	0.6643 (8)	0.080*	0.2419
H14G	0.188180	1.233911	0.687686	0.096*	0.2419
H14H	0.164993	1.326513	0.673108	0.096*	0.2419
C15	0.1289 (11)	1.217 (3)	0.6485 (10)	0.080*	0.2419
H15G	0.111330	1.215391	0.669165	0.096*	0.2419
H15H	0.135350	1.154136	0.642280	0.096*	0.2419
C16	0.1029 (9)	1.262 (3)	0.6109 (10)	0.080*	0.2419
H16A	0.093438	1.321370	0.617737	0.096*	0.2419
H16B	0.076718	1.225761	0.600205	0.096*	0.2419
C17	0.1305 (11)	1.270 (3)	0.5791 (8)	0.080*	0.2419
H17A	0.136675	1.210221	0.569925	0.096*	0.2419
H17B	0.113735	1.303399	0.556083	0.096*	0.2419
O1B	0.8008 (19)	0.623 (6)	0.702 (3)	0.23 (3)	0.1959
H1BA	0.818895	0.641030	0.721933	0.341*	0.1959
C13B	0.7588 (17)	0.650 (4)	0.7054 (18)	0.18 (2)	0.1959
H13C	0.746403	0.603890	0.720549	0.221*	0.1959
H13D	0.739963	0.653820	0.678633	0.221*	0.1959
C3	0.5802 (18)	0.763 (3)	0.4957 (15)	0.136 (18)	0.2231
H3C	0.549452	0.745594	0.493078	0.164*	0.2231
H3D	0.598460	0.710264	0.505082	0.164*	0.2231
C8	0.5883 (19)	0.794 (4)	0.4552 (13)	0.141 (18)	0.2231
H8A	0.619401	0.808124	0.457713	0.169*	0.2231
H8B	0.580967	0.744781	0.435614	0.169*	0.2231
C9	0.561 (2)	0.876 (4)	0.4405 (10)	0.144 (19)	0.2231
H9C	0.529641	0.860570	0.436518	0.173*	0.2231
H9D	0.566632	0.895411	0.414612	0.173*	0.2231
C18	0.571 (2)	0.953 (3)	0.4706 (13)	0.144 (18)	0.2231
H18A	0.601615	0.971602	0.472982	0.172*	0.2231
H18B	0.552221	1.004362	0.461255	0.172*	0.2231
C19	0.5639 (17)	0.922 (4)	0.5114 (11)	0.128 (18)	0.2231
H19A	0.571848	0.971056	0.530923	0.154*	0.2231
H19B	0.532835	0.908237	0.509502	0.154*	0.2231
C1C	0.5914 (15)	0.840 (4)	0.5255 (11)	0.123 (17)	0.2231
H1CA	0.622491	0.854635	0.528812	0.148*	0.2231
H1CB	0.586200	0.820398	0.551669	0.148*	0.2231
C14B	0.822 (3)	0.618 (7)	0.849 (3)	0.19 (4)	0.1959
H14D	0.840563	0.588046	0.833156	0.291*	0.1959
H14E	0.808473	0.572675	0.862958	0.291*	0.1959
H14F	0.839531	0.658076	0.868014	0.291*	0.1959

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I307	0.0583 (16)	0.0753 (15)	0.125 (2)	−0.0014 (9)	−0.0134 (10)	−0.0489 (13)
I312	0.250 (6)	0.0518 (16)	0.129 (5)	−0.008 (2)	−0.077 (3)	−0.012 (2)
I309	0.0992 (12)	0.0414 (9)	0.0976 (12)	0.0114 (8)	0.0345 (10)	0.0099 (8)
I308	0.194 (5)	0.0601 (19)	0.253 (6)	−0.030 (2)	−0.141 (5)	0.056 (2)
I306	0.132 (4)	0.036 (2)	0.065 (3)	0.008 (2)	−0.040 (2)	−0.003 (2)
I401	0.048 (3)	0.073 (3)	0.084 (4)	−0.0031 (17)	−0.016 (2)	0.026 (2)
I311	0.209 (7)	0.165 (6)	0.161 (6)	−0.066 (5)	−0.006 (4)	0.027 (5)
I310	0.0948 (12)	0.0421 (10)	0.1274 (15)	−0.0025 (8)	−0.0048 (11)	−0.0154 (9)
I303	0.549 (15)	0.092 (4)	0.242 (7)	−0.144 (6)	0.210 (8)	−0.098 (4)
I304	0.305 (8)	0.080 (3)	0.489 (13)	0.086 (4)	0.239 (9)	0.095 (5)
I402	0.086 (3)	0.0191 (19)	0.099 (5)	0.0024 (14)	−0.0219 (19)	−0.0028 (16)
I305	0.085 (3)	0.141 (6)	0.084 (4)	0.047 (3)	0.023 (3)	0.018 (3)
Zn34	0.118 (6)	0.041 (4)	0.167 (8)	0.003 (3)	−0.076 (5)	−0.015 (4)
Zn36	0.144 (6)	0.051 (4)	0.091 (5)	−0.013 (4)	−0.076 (4)	0.012 (3)
Zn33	0.075 (6)	0.058 (8)	0.049 (6)	0.017 (5)	−0.016 (6)	−0.017 (5)
Zn41	0.053 (5)	0.009 (3)	0.081 (6)	−0.001 (3)	−0.028 (4)	0.010 (3)
Zn32	0.298 (13)	0.022 (4)	0.242 (11)	0.005 (6)	0.118 (9)	−0.005 (5)
Zn35	0.0810 (19)	0.044 (2)	0.080 (2)	0.0083 (16)	0.0194 (18)	−0.0002 (15)
N310	0.074 (5)	0.025 (4)	0.070 (5)	0.000 (4)	−0.023 (4)	−0.005 (4)
N313	0.061 (5)	0.057 (6)	0.086 (7)	−0.002 (5)	−0.026 (5)	0.006 (5)
N309	0.074 (6)	0.032 (4)	0.067 (5)	−0.003 (4)	−0.017 (4)	−0.007 (4)
N315	0.074 (6)	0.056 (6)	0.069 (6)	−0.003 (5)	−0.008 (5)	0.010 (5)
N303	0.082 (6)	0.036 (4)	0.074 (6)	−0.003 (4)	−0.021 (5)	−0.005 (4)
N308	0.076 (6)	0.036 (4)	0.063 (5)	0.002 (4)	−0.021 (4)	−0.007 (4)
N322	0.086 (7)	0.045 (5)	0.082 (7)	−0.002 (5)	−0.022 (5)	0.014 (5)
N304	0.088 (7)	0.058 (6)	0.066 (6)	−0.003 (5)	−0.016 (5)	0.009 (5)
N312	0.085 (6)	0.028 (4)	0.103 (8)	0.011 (4)	−0.034 (6)	−0.009 (4)
N314	0.070 (6)	0.063 (6)	0.073 (6)	0.009 (5)	0.000 (5)	0.007 (5)
N307	0.105 (8)	0.044 (5)	0.091 (8)	0.000 (5)	0.000 (6)	−0.004 (5)
N319	0.105 (8)	0.053 (6)	0.101 (9)	−0.004 (6)	0.016 (7)	−0.001 (6)
N302	0.091 (7)	0.054 (6)	0.077 (7)	−0.002 (5)	−0.021 (6)	0.004 (5)
N316	0.101 (8)	0.052 (6)	0.076 (7)	0.019 (5)	0.003 (6)	0.011 (5)
N305	0.087 (7)	0.080 (7)	0.061 (6)	−0.011 (6)	−0.006 (5)	−0.007 (5)
N320	0.081 (6)	0.033 (5)	0.102 (8)	−0.001 (4)	−0.025 (6)	0.007 (5)
N321	0.093 (7)	0.052 (6)	0.090 (7)	−0.003 (5)	−0.014 (6)	0.012 (5)
C321	0.074 (7)	0.038 (5)	0.063 (6)	−0.012 (5)	−0.006 (5)	−0.010 (5)
N311	0.113 (8)	0.037 (5)	0.073 (6)	0.014 (5)	−0.040 (6)	−0.014 (4)
N317	0.109 (9)	0.057 (6)	0.070 (6)	0.001 (6)	−0.027 (6)	0.000 (5)
N323	0.100 (8)	0.038 (5)	0.119 (9)	−0.009 (5)	−0.034 (7)	0.011 (5)
C309	0.096 (9)	0.040 (6)	0.063 (7)	−0.005 (6)	−0.016 (6)	0.005 (5)
C342	0.063 (6)	0.056 (6)	0.064 (7)	0.009 (5)	−0.010 (5)	0.010 (5)
N301	0.085 (8)	0.081 (9)	0.099 (9)	0.012 (7)	−0.019 (7)	−0.010 (7)
N324	0.098 (8)	0.044 (5)	0.099 (8)	−0.001 (5)	−0.020 (6)	0.017 (5)
C326	0.062 (6)	0.034 (5)	0.062 (6)	−0.003 (4)	−0.013 (5)	−0.011 (4)
C325	0.071 (7)	0.041 (5)	0.065 (6)	0.003 (5)	−0.013 (5)	0.001 (5)
N306	0.139 (11)	0.037 (5)	0.095 (8)	0.015 (6)	0.023 (8)	0.003 (5)
C327	0.078 (7)	0.036 (5)	0.068 (7)	0.005 (5)	−0.023 (6)	−0.006 (5)
C324	0.081 (7)	0.033 (5)	0.062 (6)	0.006 (5)	−0.008 (5)	−0.003 (4)
C343	0.069 (7)	0.052 (6)	0.070 (7)	0.005 (5)	−0.005 (6)	0.007 (5)
C345	0.077 (8)	0.057 (7)	0.076 (8)	0.005 (6)	−0.010 (6)	0.013 (6)
C306	0.086 (8)	0.053 (7)	0.071 (8)	0.010 (6)	−0.020 (7)	0.007 (6)
C339	0.066 (6)	0.055 (6)	0.065 (7)	0.006 (5)	−0.007 (5)	0.003 (5)
C334	0.082 (7)	0.020 (4)	0.079 (7)	−0.002 (4)	−0.018 (6)	−0.012 (4)
C307	0.085 (8)	0.048 (6)	0.059 (7)	0.003 (6)	−0.016 (6)	0.003 (5)
C323	0.107 (10)	0.040 (6)	0.080 (8)	0.000 (6)	−0.013 (7)	0.001 (5)
C303	0.080 (8)	0.043 (6)	0.086 (9)	−0.004 (6)	−0.025 (7)	−0.007 (6)
N318	0.124 (11)	0.075 (8)	0.104 (10)	0.023 (8)	0.027 (8)	0.012 (7)
C361	0.093 (9)	0.029 (5)	0.095 (9)	0.000 (5)	−0.007 (7)	0.018 (5)
C362	0.087 (9)	0.056 (7)	0.092 (9)	0.000 (6)	−0.013 (7)	0.026 (6)
C338	0.080 (8)	0.047 (6)	0.093 (9)	0.005 (6)	−0.006 (7)	0.016 (6)
C331	0.090 (8)	0.050 (7)	0.075 (8)	0.006 (6)	−0.026 (7)	−0.002 (6)
C333	0.097 (9)	0.040 (6)	0.095 (9)	−0.003 (6)	−0.036 (7)	0.005 (6)
C352	0.103 (10)	0.062 (8)	0.085 (9)	0.019 (7)	0.011 (8)	0.006 (7)
C370	0.093 (9)	0.047 (6)	0.094 (9)	−0.002 (6)	−0.024 (7)	0.016 (6)
C302	0.110 (11)	0.062 (8)	0.075 (8)	−0.013 (8)	−0.030 (8)	−0.010 (6)
C357	0.078 (8)	0.045 (6)	0.090 (9)	0.006 (6)	−0.002 (7)	0.009 (6)
C316	0.088 (9)	0.053 (7)	0.082 (9)	−0.002 (6)	−0.011 (7)	−0.001 (6)
C337	0.072 (7)	0.063 (7)	0.078 (8)	−0.002 (6)	−0.009 (6)	−0.008 (6)
C301	0.094 (9)	0.048 (7)	0.090 (9)	0.005 (6)	−0.019 (7)	0.005 (6)
C360	0.101 (9)	0.036 (6)	0.090 (9)	−0.009 (6)	−0.001 (7)	0.005 (6)
C344	0.105 (10)	0.062 (8)	0.068 (8)	0.017 (7)	−0.003 (7)	−0.002 (6)
C319	0.117 (11)	0.038 (6)	0.084 (9)	−0.019 (6)	−0.004 (8)	−0.013 (6)
C322	0.095 (9)	0.052 (7)	0.087 (9)	0.004 (6)	−0.012 (7)	−0.002 (6)
C363	0.083 (8)	0.056 (7)	0.084 (8)	−0.002 (6)	−0.035 (7)	0.014 (6)
C308	0.087 (8)	0.060 (7)	0.064 (7)	0.007 (6)	−0.010 (6)	−0.002 (6)
C310	0.109 (11)	0.081 (9)	0.073 (8)	−0.030 (8)	0.001 (8)	−0.019 (7)
C330	0.109 (10)	0.044 (6)	0.083 (8)	0.001 (6)	−0.017 (8)	−0.013 (6)
C335	0.088 (8)	0.042 (6)	0.101 (9)	0.008 (6)	−0.047 (7)	0.006 (6)
C320	0.115 (10)	0.039 (6)	0.080 (8)	0.002 (6)	−0.012 (7)	−0.002 (5)
C346	0.095 (11)	0.079 (10)	0.123 (13)	0.015 (8)	−0.005 (10)	0.035 (9)
C313	0.077 (8)	0.076 (9)	0.105 (10)	−0.015 (7)	0.001 (7)	−0.023 (8)
C336	0.087 (9)	0.044 (6)	0.129 (12)	−0.004 (6)	−0.033 (8)	−0.006 (7)
C367	0.088 (9)	0.043 (6)	0.118 (11)	0.001 (6)	−0.022 (8)	−0.004 (7)
C371	0.113 (11)	0.038 (6)	0.104 (10)	0.007 (6)	−0.030 (9)	0.017 (6)
C328	0.101 (9)	0.033 (5)	0.116 (11)	−0.004 (6)	−0.063 (8)	0.008 (6)
C340	0.101 (10)	0.071 (9)	0.096 (10)	0.019 (8)	0.019 (8)	0.018 (7)
C368	0.115 (11)	0.037 (6)	0.130 (12)	0.007 (7)	−0.054 (10)	0.019 (7)
C359	0.094 (9)	0.050 (7)	0.104 (10)	0.025 (7)	0.004 (8)	0.018 (7)
O3A	0.129 (13)	0.060 (9)	0.067 (9)	0.047 (9)	0.008 (8)	0.012 (7)
C332	0.105 (10)	0.052 (7)	0.091 (9)	−0.002 (7)	−0.044 (8)	−0.006 (6)
C369	0.108 (11)	0.045 (7)	0.126 (12)	0.000 (7)	−0.045 (9)	0.012 (7)
C355	0.124 (13)	0.069 (9)	0.097 (11)	0.008 (9)	−0.026 (9)	0.003 (8)
O2A	0.078 (9)	0.068 (9)	0.108 (11)	−0.024 (8)	0.030 (9)	−0.026 (8)
C372	0.112 (11)	0.053 (7)	0.086 (9)	−0.006 (7)	−0.034 (8)	0.006 (6)
C317	0.145 (16)	0.104 (13)	0.102 (12)	−0.029 (12)	0.038 (12)	−0.040 (10)
C312	0.095 (10)	0.067 (9)	0.121 (13)	−0.005 (8)	−0.046 (10)	−0.031 (9)
C341	0.099 (10)	0.073 (9)	0.107 (11)	0.027 (8)	0.021 (9)	0.032 (8)
C329	0.104 (11)	0.063 (8)	0.118 (12)	0.005 (8)	−0.049 (9)	0.014 (8)
C351	0.117 (12)	0.074 (9)	0.112 (12)	0.027 (9)	0.025 (10)	0.037 (9)
C366	0.084 (9)	0.065 (8)	0.103 (10)	0.011 (7)	−0.040 (8)	0.008 (7)
C358	0.104 (10)	0.057 (8)	0.096 (10)	−0.007 (7)	−0.014 (8)	0.006 (7)
C311	0.127 (12)	0.066 (8)	0.087 (9)	−0.037 (9)	0.010 (9)	−0.016 (7)
C364	0.155 (15)	0.023 (5)	0.161 (15)	0.019 (7)	−0.093 (12)	−0.005 (7)
C356	0.133 (13)	0.044 (7)	0.114 (12)	−0.016 (8)	−0.022 (10)	0.005 (7)
C318	0.153 (17)	0.082 (11)	0.123 (14)	−0.040 (11)	0.040 (13)	−0.033 (10)
C347	0.104 (11)	0.093 (11)	0.123 (13)	−0.003 (9)	0.007 (10)	0.049 (10)
C350	0.150 (16)	0.106 (13)	0.104 (12)	0.023 (12)	0.062 (12)	0.029 (10)
C314	0.125 (14)	0.084 (11)	0.100 (12)	−0.015 (10)	0.006 (10)	−0.014 (9)
C305	0.154 (18)	0.063 (10)	0.160 (19)	−0.027 (11)	−0.015 (15)	−0.055 (11)
C365	0.147 (15)	0.056 (8)	0.145 (15)	−0.008 (9)	−0.093 (13)	0.002 (9)
O1A	0.078 (10)	0.092 (12)	0.117 (13)	0.012 (9)	−0.001 (9)	0.055 (10)
C3A	0.047 (8)	0.028 (8)	0.096 (13)	0.006 (7)	−0.024 (9)	−0.001 (8)
C304	0.137 (15)	0.093 (12)	0.120 (13)	−0.035 (11)	0.032 (11)	−0.044 (10)
C315	0.146 (16)	0.102 (13)	0.096 (12)	−0.019 (11)	0.039 (12)	−0.024 (10)
C353	0.19 (2)	0.129 (16)	0.117 (14)	0.090 (16)	0.056 (15)	0.062 (12)
C4A	0.077 (11)	0.017 (7)	0.096 (13)	0.001 (7)	0.015 (10)	0.004 (8)
C7A	0.101 (13)	0.030 (8)	0.067 (11)	0.005 (9)	0.021 (10)	0.006 (7)
C12A	0.132 (16)	0.035 (9)	0.077 (12)	0.013 (10)	0.038 (12)	0.012 (8)
C1A	0.061 (10)	0.036 (9)	0.119 (16)	0.002 (8)	−0.042 (11)	−0.018 (10)
C6A	0.054 (10)	0.036 (9)	0.150 (18)	−0.004 (8)	−0.028 (12)	0.029 (11)
C8A	0.113 (15)	0.040 (9)	0.081 (12)	−0.021 (10)	0.040 (11)	−0.009 (9)
C354	0.18 (2)	0.144 (18)	0.142 (17)	0.096 (16)	0.083 (16)	0.053 (15)
C10A	0.18 (2)	0.042 (11)	0.092 (15)	−0.011 (14)	0.064 (16)	−0.007 (11)
C348	0.088 (11)	0.112 (14)	0.118 (13)	0.031 (9)	0.017 (9)	0.059 (11)
C5A	0.062 (10)	0.037 (9)	0.116 (15)	0.000 (8)	−0.009 (10)	0.004 (10)
C9A	0.147 (19)	0.049 (11)	0.102 (15)	−0.021 (12)	0.068 (15)	−0.023 (11)
C2A	0.054 (10)	0.066 (12)	0.098 (14)	0.005 (9)	−0.018 (10)	−0.029 (11)
C349	0.088 (11)	0.112 (14)	0.118 (13)	0.031 (9)	0.017 (9)	0.059 (11)
C11A	0.16 (2)	0.057 (12)	0.078 (14)	0.022 (14)	0.050 (14)	0.015 (10)
C15A	0.15 (3)	0.12 (2)	0.092 (18)	0.07 (2)	0.050 (18)	0.042 (17)
C13A	0.112 (17)	0.040 (11)	0.124 (18)	−0.015 (11)	−0.001 (15)	0.024 (12)
I412	0.0884 (14)	0.0427 (12)	0.0784 (19)	−0.0080 (9)	−0.0306 (11)	−0.0077 (10)
Zn46	0.077 (3)	0.058 (4)	0.077 (4)	−0.006 (2)	0.010 (3)	0.019 (3)
I411	0.0856 (18)	0.123 (3)	0.0789 (19)	−0.0333 (17)	0.0204 (15)	−0.0073 (18)
I408	0.070 (3)	0.044 (2)	0.162 (4)	−0.0007 (15)	0.000 (3)	0.041 (2)
Zn44	0.039 (4)	0.038 (5)	0.087 (6)	0.005 (3)	−0.012 (4)	−0.001 (4)
I407	0.192 (9)	0.122 (5)	0.245 (10)	0.045 (5)	−0.078 (7)	−0.096 (6)
I302	0.160 (3)	0.072 (2)	0.350 (6)	0.0088 (18)	−0.058 (4)	−0.063 (3)
Zn31	0.126 (5)	0.059 (3)	0.170 (6)	−0.008 (3)	−0.065 (4)	0.018 (3)
I301	0.136 (3)	0.122 (2)	0.205 (4)	−0.035 (2)	−0.078 (2)	0.084 (2)
I410	0.244 (9)	0.101 (5)	0.443 (16)	−0.063 (5)	0.186 (10)	−0.079 (6)
I409	0.331 (11)	0.071 (3)	0.225 (8)	0.076 (5)	0.176 (8)	0.059 (4)
Zn45	0.259 (16)	0.036 (4)	0.260 (17)	−0.008 (7)	0.136 (13)	−0.014 (7)
I403	0.138 (2)	0.0567 (18)	0.0742 (16)	−0.0405 (15)	0.0361 (15)	−0.0347 (13)
Zn42	0.086 (3)	0.034 (4)	0.066 (3)	−0.010 (2)	0.020 (2)	−0.011 (2)
I404	0.0815 (13)	0.0264 (10)	0.135 (2)	0.0044 (9)	0.0127 (13)	−0.0113 (11)
I406	0.330 (12)	0.047 (2)	0.116 (5)	−0.017 (4)	−0.088 (6)	0.000 (3)
Zn43	0.164 (11)	0.049 (6)	0.081 (9)	0.038 (6)	−0.067 (6)	−0.005 (5)
I405	0.207 (8)	0.250 (11)	0.084 (4)	0.160 (8)	−0.027 (4)	0.002 (4)
I506	0.27 (3)	0.052 (5)	0.113 (15)	0.018 (13)	−0.115 (17)	0.001 (8)
I505	0.20 (2)	0.157 (16)	0.29 (3)	0.018 (14)	−0.039 (17)	0.008 (15)
Zn53	0.13 (3)	0.091 (15)	0.17 (3)	0.017 (13)	−0.072 (19)	−0.064 (14)
C14A	0.078 (17)	0.11 (2)	0.21 (3)	−0.044 (16)	0.02 (2)	−0.05 (2)
C449	0.088 (11)	0.112 (14)	0.118 (13)	0.031 (9)	0.017 (9)	0.059 (11)
C448	0.088 (11)	0.112 (14)	0.118 (13)	0.031 (9)	0.017 (9)	0.059 (11)
C4B	0.09 (3)	0.28 (4)	0.09 (3)	−0.01 (3)	−0.05 (2)	0.07 (3)
C5B	0.09 (3)	0.28 (4)	0.11 (3)	−0.02 (3)	−0.04 (2)	0.07 (3)
C6B	0.08 (3)	0.29 (5)	0.12 (4)	−0.03 (3)	−0.04 (2)	0.07 (3)
C1B	0.08 (3)	0.29 (4)	0.11 (4)	−0.05 (3)	−0.05 (3)	0.06 (3)
C2B	0.08 (3)	0.29 (4)	0.10 (4)	−0.04 (3)	−0.06 (3)	0.06 (3)
C3B	0.07 (3)	0.28 (4)	0.09 (3)	−0.03 (3)	−0.06 (2)	0.06 (3)
C7B	0.13 (3)	0.27 (4)	0.11 (3)	0.00 (3)	−0.008 (19)	0.06 (3)
C12B	0.14 (3)	0.26 (4)	0.12 (3)	−0.01 (3)	−0.01 (2)	0.06 (3)
C11B	0.15 (4)	0.26 (4)	0.11 (3)	0.00 (3)	0.00 (3)	0.06 (3)
C10B	0.16 (4)	0.27 (4)	0.10 (3)	0.00 (3)	0.01 (3)	0.06 (3)
C9B	0.15 (4)	0.26 (4)	0.09 (3)	0.02 (3)	0.01 (3)	0.05 (3)
C8B	0.14 (3)	0.25 (4)	0.08 (3)	0.02 (3)	0.00 (2)	0.04 (3)
O3B	0.17 (4)	0.25 (5)	0.13 (4)	−0.01 (4)	−0.03 (3)	0.06 (3)
C15B	0.23 (8)	0.25 (8)	0.15 (5)	−0.01 (6)	−0.06 (5)	0.05 (5)
C4	0.10 (4)	0.24 (6)	0.12 (4)	0.00 (4)	0.04 (3)	0.03 (4)
C5	0.09 (4)	0.23 (6)	0.13 (4)	0.00 (4)	0.04 (3)	0.03 (4)
C6	0.09 (4)	0.23 (6)	0.14 (4)	0.00 (4)	0.04 (3)	0.02 (4)
C7	0.09 (3)	0.23 (6)	0.13 (4)	0.00 (4)	0.05 (3)	0.03 (4)
C10	0.10 (4)	0.23 (6)	0.12 (4)	−0.01 (4)	0.04 (3)	0.03 (4)
C11	0.10 (4)	0.24 (6)	0.11 (4)	−0.01 (4)	0.04 (3)	0.04 (4)
O2B	0.15 (3)	0.24 (5)	0.09 (3)	0.03 (3)	0.00 (2)	0.00 (3)
O1B	0.10 (3)	0.34 (7)	0.22 (6)	−0.04 (4)	−0.03 (4)	−0.02 (6)
C13B	0.11 (3)	0.29 (5)	0.14 (4)	−0.02 (4)	−0.02 (3)	0.05 (4)
C3	0.06 (2)	0.25 (5)	0.09 (3)	0.03 (3)	0.00 (2)	0.05 (3)
C8	0.07 (3)	0.26 (5)	0.08 (2)	0.02 (3)	0.00 (2)	0.03 (3)
C9	0.10 (3)	0.26 (5)	0.07 (2)	0.02 (3)	0.01 (2)	0.05 (3)
C18	0.11 (3)	0.25 (5)	0.06 (2)	0.02 (3)	0.01 (2)	0.05 (2)
C19	0.07 (2)	0.25 (5)	0.06 (2)	0.05 (3)	0.00 (2)	0.06 (3)
C1C	0.05 (2)	0.24 (5)	0.08 (2)	0.04 (3)	0.01 (2)	0.06 (2)
C14B	0.18 (5)	0.27 (8)	0.10 (5)	0.05 (5)	−0.04 (4)	−0.02 (5)

Geometric parameters (Å, º)

I307—Zn34	2.530 (8)	C372—H372	0.9500
I312—Zn36	2.507 (9)	C317—H317	0.9500
I309—Zn35	2.528 (6)	C317—C318	1.38 (2)
I308—Zn34	2.526 (8)	C312—H312	0.9500
I306—Zn33	2.542 (13)	C341—H341	0.9500
I401—Zn41	2.517 (10)	C329—H329	0.9500
I311—Zn36	2.540 (11)	C351—H351	0.9500
I310—Zn35	2.527 (5)	C351—C350	1.39 (2)
I303—Zn32	2.496 (11)	C366—H366	0.9500
I304—Zn32	2.508 (11)	C358—H358	0.9500
I402—Zn41	2.519 (9)	C311—H311	0.9500
I305—Zn33	2.544 (13)	C364—H364	0.9500
Zn34—N313	2.104 (12)	C364—C365	1.390 (19)
Zn34—N312	2.068 (11)	C356—H356	0.9500
Zn36—N305^i	1.996 (14)	C318—H318	0.9500
Zn36—N324	2.097 (13)	C347—H347	0.9500
Zn33—N311	2.044 (14)	C350—H350	0.9500
Zn33—N317^ii	2.093 (17)	C314—H314	0.9500
Zn41—N323^iii	2.149 (16)	C314—C315	1.32 (2)
Zn41—N301	2.135 (17)	C305—H305	0.9500
Zn32—N307	2.068 (13)	C305—C304	1.49 (2)
Zn32—N306	2.072 (16)	C365—H365	0.9500
Zn35—N319	2.095 (12)	O1A—H1AA	0.8400
Zn35—N318	2.068 (15)	O1A—C13A	1.405 (16)
N310—C326	1.326 (13)	C3A—H3A	0.9500
N310—C325	1.351 (13)	C3A—C4A	1.400 (14)
N313—C337	1.343 (16)	C3A—C2A	1.386 (13)
N313—C341	1.350 (18)	C304—H304	0.9500
N313—Zn44	2.024 (12)	C315—H315	0.9500
N309—C325	1.324 (13)	C353—H353	0.9500
N309—C324	1.341 (13)	C353—C354	1.35 (2)
N315—C342	1.340 (15)	C4A—C7A	1.496 (14)
N315—C343	1.372 (15)	C4A—C5A	1.411 (13)
N303—C306	1.344 (16)	C7A—C12A	1.393 (16)
N303—C307	1.336 (15)	C7A—C8A	1.405 (16)
N308—C326	1.298 (13)	C12A—C11A	1.401 (16)
N308—C324	1.349 (13)	C1A—H1A	0.9500
N322—C361	1.305 (16)	C1A—C6A	1.392 (14)
N322—C362	1.342 (15)	C1A—C2A	1.391 (14)
N304—C307	1.320 (17)	C6A—H6A	0.9500
N304—C308	1.348 (16)	C6A—C5A	1.399 (14)
N312—C336	1.333 (16)	C8A—C9A	1.379 (16)
N312—C332	1.331 (16)	C354—H354	0.9500
N312—Zn44	2.064 (12)	C10A—H10A	0.9500
N314—C342	1.314 (16)	C10A—C9A	1.369 (17)
N314—C344	1.319 (16)	C10A—C11A	1.381 (17)
N307—C323	1.305 (16)	C348—H348	0.9500
N307—C319	1.299 (17)	C348—C349	1.38 (2)
N307—Zn42	2.109 (11)	C5A—C13A	1.513 (17)
N307—Zn52	2.12 (4)	C9A—H9A	0.9500
N319—C359	1.296 (18)	C2A—H2A	0.9500
N319—C355	1.326 (18)	C349—H349	0.9500
N319—Zn45	2.078 (14)	C11A—H11A	0.9500
N319—Zn55	2.36 (7)	C15A—H15A	0.9800
N302—C306	1.332 (18)	C15A—H15B	0.9800
N302—C308	1.327 (17)	C15A—H15C	0.9800
N316—C343	1.311 (16)	C13A—H13A	0.9900
N316—C344	1.332 (17)	C13A—H13B	0.9900
N305—C312	1.35 (2)	I412—Zn46	2.542 (8)
N305—C311	1.305 (17)	Zn46—I411	2.533 (6)
N305—Zn46^iv	2.075 (13)	I408—Zn44	2.546 (7)
N320—C362	1.328 (16)	Zn44—I407	2.455 (10)
N320—C360	1.318 (16)	I302—Zn31	2.543 (7)
N321—C361	1.346 (15)	Zn31—I301	2.511 (8)
N321—C360	1.361 (16)	I410—Zn45	2.542 (13)
C321—C324	1.500 (14)	I409—Zn45	2.537 (12)
C321—C322	1.364 (17)	I403—Zn42	2.528 (5)
C321—C320	1.382 (16)	Zn42—I404	2.533 (5)
N311—C330	1.293 (16)	I504—Zn52	2.44 (4)
N311—C329	1.334 (18)	I503—Zn52	2.54 (4)
N311—Zn43	2.031 (13)	I509—Zn55	2.527 (18)
N311—Zn53	2.28 (4)	I510—Zn55	2.542 (19)
N317—C347	1.281 (19)	I512—Zn56	2.69 (8)
N317—C348	1.37 (2)	Zn56—I511	2.69 (8)
N317—Zn43^v	2.03 (2)	I406—Zn43	2.531 (13)
N317—Zn53^v	1.92 (5)	Zn43—I405	2.522 (16)
N317—C448	1.37 (3)	I506—Zn53	2.47 (5)
N323—C366	1.305 (17)	I505—Zn53	2.70 (7)
N323—C365	1.289 (18)	C14A—H14A	0.9800
N323—Zn31^vi	2.044 (13)	C14A—H14B	0.9800
C309—C307	1.499 (17)	C14A—H14C	0.9800
C309—C310	1.35 (2)	C449—H449	0.9500
C309—C313	1.368 (18)	C449—C448	1.38 (3)
C342—C339	1.488 (16)	C448—H448	0.9500
N301—C301	1.287 (18)	C4B—C5B	1.3900
N301—C305	1.28 (3)	C4B—C3B	1.3900
N301—Zn31	1.998 (15)	C4B—C7B	1.49 (2)
N324—C368	1.315 (17)	C5B—C6B	1.3900
N324—C372	1.347 (16)	C5B—C13B	1.50 (2)
N324—Zn46	2.055 (13)	C6B—H6B	0.9500
N324—Zn56	1.98 (12)	C6B—C1B	1.3900
C326—C334	1.505 (13)	C1B—H1B	0.9500
C325—C327	1.465 (14)	C1B—C2B	1.3900
N306—C318	1.31 (2)	C2B—H2B	0.9500
N306—C314	1.37 (2)	C2B—C3B	1.3900
N306—Zn42	2.049 (14)	C3B—H3B	0.9500
C327—C331	1.375 (16)	C7B—C12B	1.3900
C327—C328	1.383 (15)	C7B—C8B	1.3900
C343—C345	1.441 (17)	C12B—C11B	1.3900
C345—C346	1.35 (2)	C12B—O3B	1.38 (2)
C345—C349	1.41 (2)	C11B—H11B	0.9500
C345—C449	1.41 (3)	C11B—C10B	1.3900
C306—C303	1.469 (18)	C10B—H10B	0.9500
C339—C338	1.357 (18)	C10B—C9B	1.3900
C339—C340	1.349 (18)	C9B—H9B	0.9500
C334—C333	1.383 (16)	C9B—C8B	1.3900
C334—C335	1.335 (16)	C8B—O2B	1.36 (2)
C323—H323	0.9500	O3B—C15B	1.43 (2)
C323—C322	1.383 (17)	C15B—H15D	0.9800
C303—C302	1.39 (2)	C15B—H15E	0.9800
C303—C304	1.34 (2)	C15B—H15F	0.9800
N318—C350	1.32 (2)	C4—H4A	0.9900
N318—C354	1.29 (2)	C4—H4B	0.9900
N318—Zn45	2.047 (17)	C4—C5	1.537 (14)
N318—Zn55	2.25 (7)	C4—C11	1.534 (13)
C361—C363	1.506 (16)	C5—H5A	0.9900
C362—C370	1.488 (19)	C5—H5B	0.9900
C338—H338	0.9500	C5—C6	1.538 (13)
C338—C337	1.378 (17)	C6—H6C	0.9900
C331—H331	0.9500	C6—H6D	0.9900
C331—C330	1.375 (17)	C6—C7	1.533 (13)
C333—H333	0.9500	C7—H7A	0.9900
C333—C332	1.389 (17)	C7—H7B	0.9900
C352—C344	1.50 (2)	C7—C10	1.531 (13)
C352—C351	1.38 (2)	C10—H10C	0.9900
C352—C353	1.41 (2)	C10—H10D	0.9900
C370—C371	1.358 (18)	C10—C11	1.533 (13)
C370—C369	1.407 (18)	C11—H11C	0.9900
C302—H302	0.9500	C11—H11D	0.9900
C302—C301	1.432 (19)	O2B—C14B	1.44 (2)
C357—C360	1.488 (16)	C12—H12A	0.9900
C357—C358	1.370 (18)	C12—H12B	0.9900
C357—C356	1.373 (19)	C12—C13	1.538 (13)
C316—C308	1.47 (2)	C12—C17	1.532 (13)
C316—C317	1.35 (2)	C13—H13E	0.9900
C316—C315	1.37 (2)	C13—H13F	0.9900
C337—H337	0.9500	C13—C14	1.541 (13)
C301—H301	0.9500	C14—H14G	0.9900
C319—H319	0.9500	C14—H14H	0.9900
C319—C320	1.365 (16)	C14—C15	1.534 (13)
C322—H322	0.9500	C15—H15G	0.9900
C363—C367	1.344 (18)	C15—H15H	0.9900
C363—C364	1.388 (18)	C15—C16	1.536 (13)
C310—H310	0.9500	C16—H16A	0.9900
C310—C311	1.400 (19)	C16—H16B	0.9900
C330—H330	0.9500	C16—C17	1.537 (13)
C335—H335	0.9500	C17—H17A	0.9900
C335—C336	1.401 (17)	C17—H17B	0.9900
C320—H320	0.9500	O1B—H1BA	0.8400
C346—H346	0.9500	O1B—C13B	1.41 (2)
C346—C347	1.40 (2)	C13B—H13C	0.9900
C313—H313	0.9500	C13B—H13D	0.9900
C313—C312	1.39 (2)	C3—H3C	0.9900
C336—H336	0.9500	C3—H3D	0.9900
C367—H367	0.9500	C3—C8	1.539 (13)
C367—C366	1.392 (17)	C3—C1C	1.535 (13)
C371—H371	0.9500	C8—H8A	0.9900
C371—C372	1.347 (18)	C8—H8B	0.9900
C328—H328	0.9500	C8—C9	1.536 (13)
C328—C329	1.381 (17)	C9—H9C	0.9900
C340—H340	0.9500	C9—H9D	0.9900
C340—C341	1.391 (19)	C9—C18	1.538 (13)
C368—H368	0.9500	C18—H18A	0.9900
C368—C369	1.397 (19)	C18—H18B	0.9900
C359—H359	0.9500	C18—C19	1.538 (13)
C359—C358	1.433 (19)	C19—H19A	0.9900
O3A—C12A	1.39 (3)	C19—H19B	0.9900
O3A—C15A	1.44 (2)	C19—C1C	1.535 (13)
C332—H332	0.9500	C1C—H1CA	0.9900
C369—H369	0.9500	C1C—H1CB	0.9900
C355—H355	0.9500	C14B—H14D	0.9800
C355—C356	1.36 (2)	C14B—H14E	0.9800
O2A—C8A	1.355 (16)	C14B—H14F	0.9800
O2A—C14A	1.44 (2)
I308—Zn34—I307	125.0 (3)	N317—C347—H347	119.6
N313—Zn34—I307	107.4 (5)	C346—C347—H347	119.6
N313—Zn34—I308	108.2 (5)	N318—C350—C351	123.0 (16)
N312—Zn34—I307	105.8 (5)	N318—C350—H350	118.5
N312—Zn34—I308	108.6 (5)	C351—C350—H350	118.5
N312—Zn34—N313	98.8 (4)	N306—C314—H314	118.9
I312—Zn36—I311	124.0 (5)	C315—C314—N306	122.2 (17)
N305^i—Zn36—I312	111.4 (6)	C315—C314—H314	118.9
N305^i—Zn36—I311	109.5 (6)	N301—C305—H305	118.9
N305^i—Zn36—N324	102.9 (6)	N301—C305—C304	122.3 (17)
N324—Zn36—I312	100.2 (5)	C304—C305—H305	118.9
N324—Zn36—I311	106.3 (6)	N323—C365—C364	127.4 (13)
I306—Zn33—I305	125.0 (6)	N323—C365—H365	116.3
N311—Zn33—I306	107.6 (7)	C364—C365—H365	116.3
N311—Zn33—I305	106.7 (6)	C13A—O1A—H1AA	109.5
N311—Zn33—N317^ii	102.1 (6)	C4A—C3A—H3A	119.7
N317^ii—Zn33—I306	108.1 (6)	C2A—C3A—H3A	119.7
N317^ii—Zn33—I305	105.1 (7)	C2A—C3A—C4A	120.6 (11)
I401—Zn41—I402	127.3 (5)	C303—C304—C305	117.9 (18)
N323^iii—Zn41—I401	103.3 (6)	C303—C304—H304	121.1
N323^iii—Zn41—I402	110.4 (6)	C305—C304—H304	121.1
N301—Zn41—I401	110.2 (6)	C316—C315—H315	119.0
N301—Zn41—I402	106.3 (6)	C314—C315—C316	121.9 (18)
N301—Zn41—N323^iii	94.7 (6)	C314—C315—H315	119.0
I303—Zn32—I304	120.0 (5)	C352—C353—H353	120.0
N307—Zn32—I303	107.9 (5)	C354—C353—C352	120.1 (16)
N307—Zn32—I304	106.4 (5)	C354—C353—H353	120.0
N307—Zn32—N306	102.8 (6)	C3A—C4A—C7A	117.8 (12)
N306—Zn32—I303	105.3 (6)	C3A—C4A—C5A	120.5 (10)
N306—Zn32—I304	113.0 (6)	C5A—C4A—C7A	121.5 (13)
I310—Zn35—I309	121.6 (2)	C12A—C7A—C4A	119.9 (15)
N319—Zn35—I309	110.3 (4)	C12A—C7A—C8A	118.4 (13)
N319—Zn35—I310	106.5 (4)	C8A—C7A—C4A	121.7 (14)
N318—Zn35—I309	104.9 (4)	O3A—C12A—C7A	115.2 (14)
N318—Zn35—I310	110.0 (5)	O3A—C12A—C11A	125.1 (17)
N318—Zn35—N319	101.6 (6)	C7A—C12A—C11A	119.6 (17)
C326—N310—C325	113.3 (8)	C6A—C1A—H1A	120.1
C337—N313—Zn34	122.6 (10)	C2A—C1A—H1A	120.1
C337—N313—C341	118.3 (11)	C2A—C1A—C6A	119.9 (11)
C337—N313—Zn44	122.9 (10)	C1A—C6A—H6A	119.1
C341—N313—Zn34	119.0 (9)	C1A—C6A—C5A	121.8 (11)
C341—N313—Zn44	118.6 (9)	C5A—C6A—H6A	119.1
C325—N309—C324	113.9 (9)	O2A—C8A—C7A	115.1 (13)
C342—N315—C343	113.2 (11)	O2A—C8A—C9A	123.8 (17)
C307—N303—C306	112.8 (12)	C9A—C8A—C7A	121.0 (15)
C326—N308—C324	114.2 (9)	N318—C354—C353	123.9 (17)
C361—N322—C362	114.3 (11)	N318—C354—H354	118.0
C307—N304—C308	114.1 (11)	C353—C354—H354	118.0
C336—N312—Zn34	119.1 (8)	C9A—C10A—H10A	120.1
C336—N312—Zn44	120.9 (8)	C9A—C10A—C11A	119.8 (17)
C332—N312—Zn34	122.3 (8)	C11A—C10A—H10A	120.1
C332—N312—C336	118.4 (10)	N317—C348—H348	118.7
C332—N312—Zn44	120.7 (8)	N317—C348—C349	122.7 (18)
C342—N314—C344	113.9 (11)	C349—C348—H348	118.7
C323—N307—Zn32	120.1 (9)	C4A—C5A—C13A	118.6 (12)
C323—N307—Zn42	122.1 (9)	C6A—C5A—C4A	117.6 (10)
C323—N307—Zn52	93.9 (13)	C6A—C5A—C13A	123.8 (13)
C319—N307—Zn32	121.7 (9)	C8A—C9A—H9A	119.8
C319—N307—C323	118.1 (11)	C10A—C9A—C8A	120.4 (17)
C319—N307—Zn42	119.8 (8)	C10A—C9A—H9A	119.8
C319—N307—Zn52	146.5 (14)	C3A—C2A—C1A	119.6 (12)
C359—N319—Zn35	124.5 (10)	C3A—C2A—H2A	120.2
C359—N319—C355	119.3 (12)	C1A—C2A—H2A	120.2
C359—N319—Zn45	112.7 (10)	C345—C349—H349	120.9
C359—N319—Zn55	85.2 (15)	C348—C349—C345	118.2 (18)
C355—N319—Zn35	116.2 (11)	C348—C349—H349	120.9
C355—N319—Zn45	127.9 (11)	C12A—C11A—H11A	119.6
C355—N319—Zn55	152.3 (19)	C10A—C11A—C12A	120.7 (17)
C308—N302—C306	114.4 (12)	C10A—C11A—H11A	119.6
C343—N316—C344	115.7 (11)	O3A—C15A—H15A	109.5
Zn36^iv—N305—Zn46^iv	5.6 (4)	O3A—C15A—H15B	109.5
C312—N305—Zn36^iv	122.3 (10)	O3A—C15A—H15C	109.5
C312—N305—Zn46^iv	116.7 (9)	H15A—C15A—H15B	109.5
C311—N305—Zn36^iv	121.1 (11)	H15A—C15A—H15C	109.5
C311—N305—C312	116.6 (12)	H15B—C15A—H15C	109.5
C311—N305—Zn46^iv	126.6 (11)	O1A—C13A—C5A	113.9 (15)
C360—N320—C362	114.6 (10)	O1A—C13A—H13A	108.8
C361—N321—C360	112.4 (11)	O1A—C13A—H13B	108.8
C322—C321—C324	122.6 (10)	C5A—C13A—H13A	108.8
C322—C321—C320	117.2 (11)	C5A—C13A—H13B	108.8
C320—C321—C324	120.1 (10)	H13A—C13A—H13B	107.7
C330—N311—Zn33	123.7 (10)	N305^i—Zn46—I412	106.9 (4)
C330—N311—C329	116.6 (11)	N305^i—Zn46—I411	103.6 (5)
C330—N311—Zn43	121.6 (10)	N324—Zn46—N305^i	101.6 (5)
C330—N311—Zn53	131.8 (13)	N324—Zn46—I412	111.1 (5)
C329—N311—Zn33	119.2 (10)	N324—Zn46—I411	105.9 (5)
C329—N311—Zn43	121.7 (10)	I411—Zn46—I412	125.1 (3)
C329—N311—Zn53	111.0 (14)	N313—Zn44—N312	101.6 (5)
C347—N317—Zn33^v	122.3 (13)	N313—Zn44—I408	105.3 (4)
C347—N317—C348	117.8 (14)	N313—Zn44—I407	115.8 (6)
C347—N317—Zn43^v	126.3 (13)	N312—Zn44—I408	106.6 (5)
C347—N317—Zn53^v	113 (2)	N312—Zn44—I407	102.7 (5)
C347—N317—C448	105 (2)	I407—Zn44—I408	122.4 (5)
C348—N317—Zn33^v	118.4 (11)	N323^iii—Zn31—I302	108.1 (5)
C348—N317—Zn43^v	114.5 (11)	N323^iii—Zn31—I301	106.4 (5)
C348—N317—Zn53^v	128.4 (18)	N301—Zn31—N323^iii	102.4 (6)
C448—N317—Zn53^v	125 (2)	N301—Zn31—I302	106.6 (5)
C366—N323—Zn41^vi	120.9 (9)	N301—Zn31—I301	103.9 (6)
C366—N323—Zn31^vi	123.4 (9)	I301—Zn31—I302	126.8 (3)
C365—N323—Zn41^vi	121.1 (10)	N319—Zn45—I410	102.5 (6)
C365—N323—C366	117.0 (12)	N319—Zn45—I409	115.1 (6)
C365—N323—Zn31^vi	119.4 (9)	N318—Zn45—N319	102.9 (7)
Zn31^vi—N323—Zn41^vi	5.5 (4)	N318—Zn45—I410	99.6 (7)
C310—C309—C307	121.5 (12)	N318—Zn45—I409	112.5 (7)
C310—C309—C313	116.8 (13)	I409—Zn45—I410	121.6 (5)
C313—C309—C307	121.3 (14)	N307—Zn42—I403	110.7 (4)
N315—C342—C339	115.5 (11)	N307—Zn42—I404	107.5 (4)
N314—C342—N315	126.9 (11)	N306—Zn42—N307	102.1 (5)
N314—C342—C339	117.5 (10)	N306—Zn42—I403	108.4 (4)
C301—N301—Zn41	122.8 (13)	N306—Zn42—I404	105.9 (4)
C301—N301—Zn31	126.3 (13)	I403—Zn42—I404	120.6 (2)
C305—N301—Zn41	117.1 (11)	N307—Zn52—I504	123.8 (19)
C305—N301—C301	119.4 (16)	N307—Zn52—I503	99.6 (15)
C305—N301—Zn31	112.9 (11)	I504—Zn52—I503	122.3 (16)
C368—N324—Zn36	117.2 (9)	N319—Zn55—I509	130 (3)
C368—N324—C372	117.6 (12)	N319—Zn55—I510	86.2 (18)
C368—N324—Zn46	122.7 (9)	N318—Zn55—N319	88.8 (16)
C368—N324—Zn56	97 (2)	N318—Zn55—I509	133 (4)
C372—N324—Zn36	124.7 (9)	N318—Zn55—I510	82.2 (17)
C372—N324—Zn46	119.4 (9)	I509—Zn55—I510	119 (2)
C372—N324—Zn56	134 (3)	N324—Zn56—I512	92 (2)
N310—C326—C334	114.6 (9)	N324—Zn56—I511	142 (5)
N308—C326—N310	127.4 (9)	I512—Zn56—I511	118 (5)
N308—C326—C334	118.0 (9)	N311—Zn43—N317^ii	104.6 (7)
N310—C325—C327	116.3 (9)	N311—Zn43—I406	111.5 (7)
N309—C325—N310	125.9 (9)	N311—Zn43—I405	103.3 (7)
N309—C325—C327	117.8 (9)	N317^ii—Zn43—I406	103.9 (7)
C318—N306—Zn32	119.3 (13)	N317^ii—Zn43—I405	105.7 (8)
C318—N306—C314	115.7 (15)	I405—Zn43—I406	125.9 (6)
C318—N306—Zn42	121.5 (13)	N311—Zn53—I506	96.7 (14)
C314—N306—Zn32	125.1 (12)	N311—Zn53—I505	108 (2)
C314—N306—Zn42	122.8 (11)	N317^ii—Zn53—N311	100 (2)
C331—C327—C325	122.6 (10)	N317^ii—Zn53—I506	116 (3)
C331—C327—C328	116.0 (10)	N317^ii—Zn53—I505	112.2 (18)
C328—C327—C325	121.3 (10)	I506—Zn53—I505	120 (2)
N309—C324—N308	125.2 (9)	O2A—C14A—H14A	109.5
N309—C324—C321	116.9 (9)	O2A—C14A—H14B	109.5
N308—C324—C321	117.9 (9)	O2A—C14A—H14C	109.5
N315—C343—C345	117.5 (12)	H14A—C14A—H14B	109.5
N316—C343—N315	124.0 (11)	H14A—C14A—H14C	109.5
N316—C343—C345	118.4 (11)	H14B—C14A—H14C	109.5
C346—C345—C343	123.0 (12)	C345—C449—H449	120.2
C346—C345—C349	116.2 (14)	C448—C449—C345	120 (3)
C346—C345—C449	101 (2)	C448—C449—H449	120.2
C349—C345—C343	120.3 (14)	N317—C448—C449	121 (3)
C449—C345—C343	122.5 (17)	N317—C448—H448	119.3
N303—C306—C303	117.5 (14)	C449—C448—H448	119.3
N302—C306—N303	126.4 (12)	C5B—C4B—C3B	120.0
N302—C306—C303	116.0 (12)	C5B—C4B—C7B	118.5 (15)
C338—C339—C342	121.4 (11)	C3B—C4B—C7B	119.9 (15)
C340—C339—C342	121.4 (12)	C4B—C5B—C13B	119.5 (8)
C340—C339—C338	117.2 (12)	C6B—C5B—C4B	120.0
C333—C334—C326	119.0 (9)	C6B—C5B—C13B	120.3 (8)
C335—C334—C326	121.7 (10)	C5B—C6B—H6B	120.0
C335—C334—C333	119.1 (10)	C5B—C6B—C1B	120.0
N303—C307—C309	116.5 (13)	C1B—C6B—H6B	120.0
N304—C307—N303	127.0 (12)	C6B—C1B—H1B	120.0
N304—C307—C309	116.4 (11)	C2B—C1B—C6B	120.00 (6)
N307—C323—H323	118.8	C2B—C1B—H1B	120.0
N307—C323—C322	122.3 (12)	C1B—C2B—H2B	120.0
C322—C323—H323	118.8	C3B—C2B—C1B	120.0
C302—C303—C306	120.7 (13)	C3B—C2B—H2B	120.0
C304—C303—C306	120.7 (16)	C4B—C3B—H3B	120.0
C304—C303—C302	118.6 (13)	C2B—C3B—C4B	120.0
C350—N318—Zn35	124.4 (11)	C2B—C3B—H3B	120.0
C350—N318—Zn45	114.3 (12)	C12B—C7B—C4B	117.5 (15)
C350—N318—Zn55	90 (2)	C12B—C7B—C8B	120.0
C354—N318—Zn35	117.7 (12)	C8B—C7B—C4B	121.0 (16)
C354—N318—C350	117.9 (15)	C11B—C12B—C7B	120.0
C354—N318—Zn45	127.2 (12)	O3B—C12B—C7B	112 (3)
C354—N318—Zn55	142 (2)	O3B—C12B—C11B	128 (3)
N322—C361—N321	127.0 (11)	C12B—C11B—H11B	120.0
N322—C361—C363	118.3 (10)	C10B—C11B—C12B	120.00 (6)
N321—C361—C363	114.7 (11)	C10B—C11B—H11B	120.0
N322—C362—C370	114.7 (12)	C11B—C10B—H10B	120.0
N320—C362—N322	125.6 (12)	C11B—C10B—C9B	120.00 (5)
N320—C362—C370	119.7 (11)	C9B—C10B—H10B	120.0
C339—C338—H338	119.2	C10B—C9B—H9B	120.0
C339—C338—C337	121.5 (12)	C8B—C9B—C10B	120.0
C337—C338—H338	119.2	C8B—C9B—H9B	120.0
C327—C331—H331	119.9	C9B—C8B—C7B	120.00 (5)
C327—C331—C330	120.2 (12)	O2B—C8B—C7B	119 (3)
C330—C331—H331	119.9	O2B—C8B—C9B	121 (3)
C334—C333—H333	121.0	C12B—O3B—C15B	118 (4)
C334—C333—C332	117.9 (11)	O3B—C15B—H15D	109.5
C332—C333—H333	121.0	O3B—C15B—H15E	109.5
C351—C352—C344	122.1 (13)	O3B—C15B—H15F	109.5
C351—C352—C353	115.7 (15)	H15D—C15B—H15E	109.5
C353—C352—C344	122.1 (13)	H15D—C15B—H15F	109.5
C371—C370—C362	123.4 (12)	H15E—C15B—H15F	109.5
C371—C370—C369	118.2 (12)	H4A—C4—H4B	108.0
C369—C370—C362	118.4 (12)	C5—C4—H4A	109.3
C303—C302—H302	120.7	C5—C4—H4B	109.3
C303—C302—C301	118.6 (13)	C11—C4—H4A	109.3
C301—C302—H302	120.7	C11—C4—H4B	109.3
C358—C357—C360	122.7 (13)	C11—C4—C5	112 (2)
C358—C357—C356	115.4 (12)	C4—C5—H5A	109.5
C356—C357—C360	121.8 (12)	C4—C5—H5B	109.5
C317—C316—C308	121.9 (13)	C4—C5—C6	111 (2)
C317—C316—C315	116.7 (16)	H5A—C5—H5B	108.1
C315—C316—C308	121.3 (14)	C6—C5—H5A	109.5
N313—C337—C338	121.0 (14)	C6—C5—H5B	109.5
N313—C337—H337	119.5	C5—C6—H6C	109.2
C338—C337—H337	119.5	C5—C6—H6D	109.2
N301—C301—C302	123.1 (17)	H6C—C6—H6D	107.9
N301—C301—H301	118.4	C7—C6—C5	112 (2)
C302—C301—H301	118.4	C7—C6—H6C	109.2
N320—C360—N321	125.9 (11)	C7—C6—H6D	109.2
N320—C360—C357	119.6 (11)	C6—C7—H7A	109.0
N321—C360—C357	114.4 (11)	C6—C7—H7B	109.0
N314—C344—N316	126.0 (14)	H7A—C7—H7B	107.8
N314—C344—C352	117.1 (12)	C10—C7—C6	113 (2)
N316—C344—C352	116.8 (12)	C10—C7—H7A	109.0
N307—C319—H319	118.0	C10—C7—H7B	109.0
N307—C319—C320	124.1 (12)	C7—C10—H10C	109.0
C320—C319—H319	118.0	C7—C10—H10D	109.0
C321—C322—C323	119.6 (12)	C7—C10—C11	113 (2)
C321—C322—H322	120.2	H10C—C10—H10D	107.8
C323—C322—H322	120.2	C11—C10—H10C	109.0
C367—C363—C361	123.0 (11)	C11—C10—H10D	109.0
C367—C363—C364	119.8 (11)	C4—C11—H11C	109.1
C364—C363—C361	117.3 (11)	C4—C11—H11D	109.1
N304—C308—C316	115.7 (12)	C10—C11—C4	113 (2)
N302—C308—N304	125.3 (14)	C10—C11—H11C	109.1
N302—C308—C316	119.0 (12)	C10—C11—H11D	109.1
C309—C310—H310	119.1	H11C—C11—H11D	107.8
C309—C310—C311	121.9 (13)	C8B—O2B—C14B	118 (4)
C311—C310—H310	119.1	H12A—C12—H12B	108.0
N311—C330—C331	124.2 (13)	C13—C12—H12A	109.4
N311—C330—H330	117.9	C13—C12—H12B	109.4
C331—C330—H330	117.9	C17—C12—H12A	109.4
C334—C335—H335	119.7	C17—C12—H12B	109.4
C334—C335—C336	120.5 (11)	C17—C12—C13	111 (2)
C336—C335—H335	119.7	C12—C13—H13E	109.5
C321—C320—H320	120.8	C12—C13—H13F	109.5
C319—C320—C321	118.5 (12)	C12—C13—C14	110.7 (18)
C319—C320—H320	120.8	H13E—C13—H13F	108.1
C345—C346—H346	118.8	C14—C13—H13E	109.5
C345—C346—C347	122.5 (15)	C14—C13—H13F	109.5
C347—C346—H346	118.8	C13—C14—H14G	109.3
C309—C313—H313	120.9	C13—C14—H14H	109.3
C309—C313—C312	118.3 (16)	H14G—C14—H14H	108.0
C312—C313—H313	120.9	C15—C14—C13	111.6 (18)
N312—C336—C335	120.9 (12)	C15—C14—H14G	109.3
N312—C336—H336	119.5	C15—C14—H14H	109.3
C335—C336—H336	119.5	C14—C15—H15G	109.4
C363—C367—H367	120.1	C14—C15—H15H	109.4
C363—C367—C366	119.9 (13)	C14—C15—C16	111.2 (18)
C366—C367—H367	120.1	H15G—C15—H15H	108.0
C370—C371—H371	119.3	C16—C15—H15G	109.4
C372—C371—C370	121.5 (13)	C16—C15—H15H	109.4
C372—C371—H371	119.3	C15—C16—H16A	109.5
C327—C328—H328	120.3	C15—C16—H16B	109.5
C329—C328—C327	119.4 (12)	C15—C16—C17	110.8 (18)
C329—C328—H328	120.3	H16A—C16—H16B	108.1
C339—C340—H340	119.4	C17—C16—H16A	109.5
C339—C340—C341	121.2 (15)	C17—C16—H16B	109.5
C341—C340—H340	119.4	C12—C17—C16	112.2 (18)
N324—C368—H368	117.8	C12—C17—H17A	109.2
N324—C368—C369	124.4 (12)	C12—C17—H17B	109.2
C369—C368—H368	117.8	C16—C17—H17A	109.2
N319—C359—H359	119.8	C16—C17—H17B	109.2
N319—C359—C358	120.5 (12)	H17A—C17—H17B	107.9
C358—C359—H359	119.8	C13B—O1B—H1BA	109.5
C12A—O3A—C15A	120 (2)	C5B—C13B—H13C	109.2
N312—C332—C333	123.0 (11)	C5B—C13B—H13D	109.2
N312—C332—H332	118.5	O1B—C13B—C5B	112 (2)
C333—C332—H332	118.5	O1B—C13B—H13C	109.2
C370—C369—H369	121.9	O1B—C13B—H13D	109.2
C368—C369—C370	116.2 (12)	H13C—C13B—H13D	107.9
C368—C369—H369	121.9	H3C—C3—H3D	108.3
N319—C355—H355	118.8	C8—C3—H3C	109.9
N319—C355—C356	122.5 (15)	C8—C3—H3D	109.9
C356—C355—H355	118.8	C1C—C3—H3C	109.9
C8A—O2A—C14A	117 (2)	C1C—C3—H3D	109.9
N324—C372—H372	119.0	C1C—C3—C8	109 (2)
C371—C372—N324	121.9 (13)	C3—C8—H8A	109.5
C371—C372—H372	119.0	C3—C8—H8B	109.5
C316—C317—H317	120.5	H8A—C8—H8B	108.1
C316—C317—C318	119.1 (16)	C9—C8—C3	110.6 (19)
C318—C317—H317	120.5	C9—C8—H8A	109.5
N305—C312—C313	123.9 (14)	C9—C8—H8B	109.5
N305—C312—H312	118.1	C8—C9—H9C	109.5
C313—C312—H312	118.1	C8—C9—H9D	109.5
N313—C341—C340	120.7 (13)	C8—C9—C18	111 (2)
N313—C341—H341	119.7	H9C—C9—H9D	108.1
C340—C341—H341	119.7	C18—C9—H9C	109.5
N311—C329—C328	123.4 (13)	C18—C9—H9D	109.5
N311—C329—H329	118.3	C9—C18—H18A	109.6
C328—C329—H329	118.3	C9—C18—H18B	109.6
C352—C351—H351	120.6	H18A—C18—H18B	108.2
C352—C351—C350	118.7 (15)	C19—C18—C9	110.1 (19)
C350—C351—H351	120.6	C19—C18—H18A	109.6
N323—C366—C367	121.8 (13)	C19—C18—H18B	109.6
N323—C366—H366	119.1	C18—C19—H19A	109.6
C367—C366—H366	119.1	C18—C19—H19B	109.6
C357—C358—C359	120.7 (13)	H19A—C19—H19B	108.1
C357—C358—H358	119.7	C1C—C19—C18	110.3 (19)
C359—C358—H358	119.7	C1C—C19—H19A	109.6
N305—C311—C310	121.4 (15)	C1C—C19—H19B	109.6
N305—C311—H311	119.3	C3—C1C—C19	111.0 (19)
C310—C311—H311	119.3	C3—C1C—H1CA	109.4
C363—C364—H364	123.0	C3—C1C—H1CB	109.4
C363—C364—C365	114.0 (12)	C19—C1C—H1CA	109.4
C365—C364—H364	123.0	C19—C1C—H1CB	109.4
C357—C356—H356	119.2	H1CA—C1C—H1CB	108.0
C355—C356—C357	121.5 (14)	O2B—C14B—H14D	109.5
C355—C356—H356	119.2	O2B—C14B—H14E	109.5
N306—C318—C317	124.2 (17)	O2B—C14B—H14F	109.5
N306—C318—H318	117.9	H14D—C14B—H14E	109.5
C317—C318—H318	117.9	H14D—C14B—H14F	109.5
N317—C347—C346	120.9 (17)	H14E—C14B—H14F	109.5
Zn34—N313—C337—C338	171.8 (9)	C313—C309—C307—N304	9.1 (17)
Zn34—N313—C341—C340	−172.0 (12)	C313—C309—C310—C311	−11 (2)
Zn34—N312—C336—C335	−175.1 (13)	C336—N312—C332—C333	0 (3)
Zn34—N312—C332—C333	175.3 (13)	C367—C363—C364—C365	3 (3)
Zn36^iv—N305—C312—C313	173.2 (11)	C371—C370—C369—C368	4 (3)
Zn36^iv—N305—C311—C310	−174.5 (12)	C328—C327—C331—C330	−1 (2)
Zn36—N324—C368—C369	173.7 (16)	C340—C339—C338—C337	3.0 (19)
Zn36—N324—C372—C371	−172.3 (14)	C368—N324—C372—C371	−1 (3)
Zn33—N311—C330—C331	172.8 (12)	C359—N319—C355—C356	4 (3)
Zn33—N311—C329—C328	−175.5 (15)	O3A—C12A—C11A—C10A	−179 (2)
Zn33^v—N317—C347—C346	179.6 (13)	C332—N312—C336—C335	0 (2)
Zn33^v—N317—C348—C349	178 (2)	C369—C370—C371—C372	−4 (3)
Zn41^vi—N323—C366—C367	169.5 (13)	C355—N319—C359—C358	−3 (2)
Zn41^vi—N323—C365—C364	−166 (2)	O2A—C8A—C9A—C10A	180 (2)
Zn41—N301—C301—C302	−172.1 (10)	C372—N324—C368—C369	2 (3)
Zn41—N301—C305—C304	174.2 (15)	C317—C316—C308—N304	23 (2)
Zn32—N307—C323—C322	179.9 (12)	C317—C316—C308—N302	−159.1 (15)
Zn32—N307—C319—C320	177.0 (13)	C317—C316—C315—C314	−4 (3)
Zn32—N306—C318—C317	−177.0 (17)	C312—N305—C311—C310	6 (2)
Zn32—N306—C314—C315	175.0 (15)	C341—N313—C337—C338	−2.8 (18)
Zn35—N319—C359—C358	179.0 (11)	C329—N311—C330—C331	1 (2)
Zn35—N319—C355—C356	−178.1 (15)	C351—C352—C344—N314	−16 (2)
Zn35—N318—C350—C351	−170.4 (15)	C351—C352—C344—N316	163.6 (15)
Zn35—N318—C354—C353	174 (2)	C351—C352—C353—C354	3 (3)
N310—C326—C334—C333	−178.3 (13)	C366—N323—C365—C364	3 (4)
N310—C326—C334—C335	−2.7 (19)	C358—C357—C360—N320	−10 (2)
N310—C325—C327—C331	7 (2)	C358—C357—C360—N321	168.0 (15)
N310—C325—C327—C328	−175.0 (14)	C358—C357—C356—C355	1 (3)
N309—C325—C327—C331	−171.5 (13)	C311—N305—C312—C313	−7 (2)
N309—C325—C327—C328	7 (2)	C364—C363—C367—C366	0 (3)
N315—C342—C339—C338	10.0 (17)	C356—C357—C360—N320	174.2 (16)
N315—C342—C339—C340	−168.8 (12)	C356—C357—C360—N321	−8 (2)
N315—C343—C345—C346	20 (2)	C356—C357—C358—C359	−1 (2)
N315—C343—C345—C349	−151.1 (18)	C318—N306—C314—C315	−4 (3)
N315—C343—C345—C449	153 (3)	C347—N317—C348—C349	−16 (4)
N303—C306—C303—C302	−0.9 (17)	C347—N317—C448—C449	40 (6)
N303—C306—C303—C304	177.7 (14)	C350—N318—C354—C353	−7 (4)
N308—C326—C334—C333	0.1 (19)	C314—N306—C318—C317	2 (3)
N308—C326—C334—C335	175.6 (14)	C305—N301—C301—C302	−2 (2)
N322—C361—C363—C367	−3 (2)	C365—N323—C366—C367	1 (3)
N322—C361—C363—C364	176.5 (17)	C3A—C4A—C7A—C12A	74 (3)
N322—C362—C370—C371	−2 (2)	C3A—C4A—C7A—C8A	−106 (2)
N322—C362—C370—C369	178.6 (15)	C3A—C4A—C5A—C6A	−2 (3)
N314—C342—C339—C338	−168.7 (11)	C3A—C4A—C5A—C13A	177.0 (19)
N314—C342—C339—C340	12.4 (18)	C304—C303—C302—C301	−2 (2)
N307—C323—C322—C321	1 (2)	C315—C316—C308—N304	−160.5 (14)
N307—C319—C320—C321	5 (3)	C315—C316—C308—N302	18 (2)
N319—C359—C358—C357	2 (3)	C315—C316—C317—C318	2 (3)
N319—C355—C356—C357	−3 (3)	C353—C352—C344—N314	166.9 (18)
N302—C306—C303—C302	175.4 (11)	C353—C352—C344—N316	−14 (2)
N302—C306—C303—C304	−6.0 (19)	C353—C352—C351—C350	0 (3)
N316—C343—C345—C346	−161.9 (14)	C4A—C3A—C2A—C1A	1 (3)
N316—C343—C345—C349	27 (2)	C4A—C7A—C12A—O3A	1 (3)
N316—C343—C345—C449	−29 (3)	C4A—C7A—C12A—C11A	−178.5 (19)
N320—C362—C370—C371	177.8 (16)	C4A—C7A—C8A—O2A	0 (3)
N320—C362—C370—C369	−1 (2)	C4A—C7A—C8A—C9A	176.6 (19)
N321—C361—C363—C367	178.1 (15)	C4A—C5A—C13A—O1A	157.3 (19)
N321—C361—C363—C364	−2 (2)	C7A—C4A—C5A—C6A	−177.1 (18)
N317—C348—C349—C345	8 (4)	C7A—C4A—C5A—C13A	2 (3)
C309—C310—C311—N305	3 (3)	C7A—C12A—C11A—C10A	1 (4)
C309—C313—C312—N305	−1 (2)	C7A—C8A—C9A—C10A	3 (3)
C342—N315—C343—N316	−1.8 (17)	C12A—C7A—C8A—O2A	−179.9 (19)
C342—N315—C343—C345	175.7 (11)	C12A—C7A—C8A—C9A	−3 (3)
C342—N314—C344—N316	−1 (2)	C1A—C6A—C5A—C4A	1 (3)
C342—N314—C344—C352	178.1 (12)	C1A—C6A—C5A—C13A	−178 (2)
C342—C339—C338—C337	−175.9 (11)	C6A—C1A—C2A—C3A	−2 (3)
C342—C339—C340—C341	175.8 (14)	C6A—C5A—C13A—O1A	−24 (3)
N301—C305—C304—C303	−4 (3)	C8A—C7A—C12A—O3A	−179.0 (19)
N324—C368—C369—C370	−3 (3)	C8A—C7A—C12A—C11A	1 (3)
C326—N310—C325—N309	−4.2 (19)	C354—N318—C350—C351	10 (3)
C326—N310—C325—C327	177.9 (11)	C348—N317—C347—C346	14 (3)
C326—N308—C324—N309	−5.6 (19)	C5A—C4A—C7A—C12A	−111 (2)
C326—N308—C324—C321	172.8 (11)	C5A—C4A—C7A—C8A	70 (3)
C326—C334—C333—C332	179.1 (14)	C9A—C10A—C11A—C12A	−1 (4)
C326—C334—C335—C336	−178.7 (14)	C2A—C3A—C4A—C7A	176.0 (17)
C325—N310—C326—N308	2.3 (19)	C2A—C3A—C4A—C5A	1 (3)
C325—N310—C326—C334	−179.5 (11)	C2A—C1A—C6A—C5A	1 (3)
C325—N309—C324—N308	4.0 (19)	C349—C345—C346—C347	−4 (3)
C325—N309—C324—C321	−174.3 (11)	C11A—C10A—C9A—C8A	−1 (4)
C325—C327—C331—C330	177.6 (13)	C15A—O3A—C12A—C7A	172 (2)
C325—C327—C328—C329	−179.7 (15)	C15A—O3A—C12A—C11A	−9 (3)
N306—C314—C315—C316	5 (3)	Zn46^iv—N305—C312—C313	172.3 (12)
C327—C331—C330—N311	1 (2)	Zn46^iv—N305—C311—C310	−173.6 (12)
C327—C328—C329—N311	3 (3)	Zn46—N324—C368—C369	175.8 (15)
C324—N309—C325—N310	1.2 (19)	Zn46—N324—C372—C371	−175.3 (14)
C324—N309—C325—C327	179.1 (11)	Zn44—N313—C337—C338	171.2 (9)
C324—N308—C326—N310	2.1 (19)	Zn44—N313—C341—C340	−171.5 (12)
C324—N308—C326—C334	−176.0 (11)	Zn44—N312—C336—C335	−176.8 (13)
C324—C321—C322—C323	−176.1 (13)	Zn44—N312—C332—C333	177.2 (13)
C324—C321—C320—C319	173.4 (14)	Zn31^vi—N323—C366—C367	175.3 (13)
C343—N315—C342—N314	3.2 (17)	Zn31^vi—N323—C365—C364	−172 (2)
C343—N315—C342—C339	−175.5 (10)	Zn31—N301—C301—C302	−167.9 (10)
C343—N316—C344—N314	2 (2)	Zn31—N301—C305—C304	171.2 (16)
C343—N316—C344—C352	−177.0 (12)	Zn45—N319—C359—C358	−178.6 (12)
C343—C345—C346—C347	−175.7 (16)	Zn45—N319—C355—C356	178.5 (15)
C343—C345—C349—C348	174 (2)	Zn45—N318—C350—C351	−178.2 (16)
C343—C345—C449—C448	179 (4)	Zn45—N318—C354—C353	−177 (2)
C345—C346—C347—N317	−4 (3)	Zn42—N307—C323—C322	−179.2 (12)
C345—C449—C448—N317	1 (8)	Zn42—N307—C319—C320	176.2 (13)
C306—N303—C307—N304	−0.4 (16)	Zn42—N306—C318—C317	−177.5 (16)
C306—N303—C307—C309	−177.2 (9)	Zn42—N306—C314—C315	175.6 (15)
C306—N302—C308—N304	0.2 (17)	Zn52—N307—C323—C322	169.6 (17)
C306—N302—C308—C316	−177.8 (11)	Zn52—N307—C319—C320	−164 (2)
C306—C303—C302—C301	176.5 (11)	Zn55—N319—C359—C358	−169 (2)
C306—C303—C304—C305	−175.1 (15)	Zn55—N319—C355—C356	153 (3)
C339—C338—C337—N313	−0.1 (19)	Zn55—N318—C350—C351	163 (2)
C339—C340—C341—N313	0 (3)	Zn55—N318—C354—C353	−140 (3)
C334—C333—C332—N312	−2 (3)	Zn56—N324—C368—C369	150 (4)
C334—C335—C336—N312	1 (3)	Zn56—N324—C372—C371	−135 (4)
C307—N303—C306—N302	−0.6 (16)	Zn43—N311—C330—C331	177.4 (13)
C307—N303—C306—C303	175.3 (10)	Zn43—N311—C329—C328	−179.7 (15)
C307—N304—C308—N302	−1.1 (17)	Zn43^v—N317—C347—C346	179.9 (13)
C307—N304—C308—C316	177.0 (10)	Zn43^v—N317—C448—C449	−174 (4)
C307—C309—C310—C311	176.1 (14)	Zn53—N311—C330—C331	171 (2)
C307—C309—C313—C312	−177.6 (12)	Zn53—N311—C329—C328	−176 (2)
C323—N307—C319—C320	−3 (3)	Zn53^v—N317—C347—C346	−177.5 (19)
C303—C302—C301—N301	1 (2)	C14A—O2A—C8A—C7A	−179 (2)
C361—N322—C362—N320	5 (2)	C14A—O2A—C8A—C9A	4 (3)
C361—N322—C362—C370	−175.2 (13)	C449—C345—C346—C347	43 (3)
C361—N321—C360—N320	5 (2)	C448—N317—C347—C346	−38 (3)
C361—N321—C360—C357	−173.1 (13)	C4B—C5B—C6B—C1B	0.0
C361—C363—C367—C366	−179.8 (15)	C4B—C5B—C13B—O1B	−134 (6)
C361—C363—C364—C365	−177.3 (18)	C4B—C7B—C12B—C11B	166 (4)
C362—N322—C361—N321	−1 (2)	C4B—C7B—C12B—O3B	−13 (4)
C362—N322—C361—C363	−179.7 (13)	C4B—C7B—C8B—C9B	−166 (4)
C362—N320—C360—N321	−2 (2)	C4B—C7B—C8B—O2B	14 (4)
C362—N320—C360—C357	175.6 (13)	C5B—C4B—C3B—C2B	0.0
C362—C370—C371—C372	177.1 (16)	C5B—C4B—C7B—C12B	−85 (3)
C362—C370—C369—C368	−176.7 (16)	C5B—C4B—C7B—C8B	81 (3)
C338—C339—C340—C341	−3 (2)	C5B—C6B—C1B—C2B	0.0
C331—C327—C328—C329	−1 (2)	C6B—C5B—C13B—O1B	51 (7)
C333—C334—C335—C336	−3 (2)	C6B—C1B—C2B—C3B	0.0
C352—C351—C350—N318	−7 (3)	C1B—C2B—C3B—C4B	0.0
C352—C353—C354—N318	0 (4)	C3B—C4B—C5B—C6B	0.0
C370—C371—C372—N324	2 (3)	C3B—C4B—C5B—C13B	−175 (2)
C302—C303—C304—C305	3 (3)	C3B—C4B—C7B—C12B	109 (3)
C316—C317—C318—N306	−2 (3)	C3B—C4B—C7B—C8B	−85 (3)
C337—N313—C341—C340	3 (2)	C7B—C4B—C5B—C6B	−166 (3)
C301—N301—C305—C304	4 (3)	C7B—C4B—C5B—C13B	20 (3)
C360—N320—C362—N322	−3 (2)	C7B—C4B—C3B—C2B	165 (3)
C360—N320—C362—C370	176.9 (14)	C7B—C12B—C11B—C10B	0.0
C360—N321—C361—N322	−3 (2)	C7B—C12B—O3B—C15B	141 (11)
C360—N321—C361—C363	175.5 (13)	C7B—C8B—O2B—C14B	−169 (7)
C360—C357—C358—C359	−176.9 (14)	C12B—C7B—C8B—C9B	0.0
C360—C357—C356—C355	177.5 (17)	C12B—C7B—C8B—O2B	179 (3)
C344—N314—C342—N315	−1.9 (18)	C12B—C11B—C10B—C9B	0.0
C344—N314—C342—C339	176.7 (11)	C11B—C12B—O3B—C15B	−37 (11)
C344—N316—C343—N315	−0.6 (19)	C11B—C10B—C9B—C8B	0.0
C344—N316—C343—C345	−178.0 (12)	C10B—C9B—C8B—C7B	0.0
C344—C352—C351—C350	−177.3 (16)	C10B—C9B—C8B—O2B	−179 (3)
C344—C352—C353—C354	−180 (2)	C9B—C8B—O2B—C14B	10 (8)
C319—N307—C323—C322	0 (2)	C8B—C7B—C12B—C11B	0.0
C322—C321—C324—N309	−170.6 (13)	C8B—C7B—C12B—O3B	−179 (3)
C322—C321—C324—N308	10.9 (19)	O3B—C12B—C11B—C10B	178 (4)
C322—C321—C320—C319	−4 (2)	C4—C5—C6—C7	56 (5)
C363—C367—C366—N323	−2 (3)	C5—C4—C11—C10	53 (6)
C363—C364—C365—N323	−4 (4)	C5—C6—C7—C10	−53 (5)
C308—N304—C307—N303	1.2 (17)	C6—C7—C10—C11	49 (6)
C308—N304—C307—C309	178.0 (10)	C7—C10—C11—C4	−50 (6)
C308—N302—C306—N303	0.7 (17)	C11—C4—C5—C6	−56 (5)
C308—N302—C306—C303	−175.2 (10)	C12—C13—C14—C15	56 (4)
C308—C316—C317—C318	179.1 (16)	C13—C12—C17—C16	55 (4)
C308—C316—C315—C314	178.9 (16)	C13—C14—C15—C16	−56 (4)
C310—C309—C307—N303	−1.2 (17)	C14—C15—C16—C17	55 (4)
C310—C309—C307—N304	−178.4 (12)	C15—C16—C17—C12	−55 (4)
C310—C309—C313—C312	10 (2)	C17—C12—C13—C14	−55 (4)
C330—N311—C329—C328	−3 (3)	C13B—C5B—C6B—C1B	175 (2)
C335—C334—C333—C332	3 (2)	C3—C8—C9—C18	58 (4)
C320—C321—C324—N309	12.4 (19)	C8—C3—C1C—C19	59 (4)
C320—C321—C324—N308	−166.1 (13)	C8—C9—C18—C19	−57 (4)
C320—C321—C322—C323	1 (2)	C9—C18—C19—C1C	57 (4)
C346—C345—C349—C348	2 (4)	C18—C19—C1C—C3	−59 (4)
C346—C345—C449—C448	−40 (5)	C1C—C3—C8—C9	−59 (4)
C313—C309—C307—N303	−173.8 (12)

Symmetry codes: (i) x+1/2, −y+1, z−1/2; (ii) x−1/2, −y+2, z−1/2; (iii) x−1, y, z; (iv) x−1/2, −y+1, z+1/2; (v) x+1/2, −y+2, z+1/2; (vi) x+1, y, z.

catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc (25_10_48b)

Crystal data

C36H24I6N12Zn3	F(000) = 5856
Mr = 1582.18	Dx = 1.367 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.4800 (19) Å	Cell parameters from 7145 reflections
b = 15.0207 (4) Å	θ = 2.7–72.5°
c = 30.258 (2) Å	µ = 20.20 mm^−1
β = 101.076 (6)°	T = 100 K
V = 15379.3 (14) Å^3	Block, colourless
Z = 8	0.23 × 0.11 × 0.07 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	13874 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	8734 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.043
Detector resolution: 10 pixels mm^-1	θmax = 68.2°, θmin = 2.6°
profile data from ω–scans	h = −41→41
Absorption correction: analytical CrysAlisPro 1.171.41.122a (Rigaku Oxford Diffraction, 2021) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −7→17
Tmin = 0.124, Tmax = 0.388	l = −36→36
45320 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.068	H-atom parameters constrained
wR(F^2) = 0.243	w = 1/[σ^2(Fo^2) + (0.1436P)^2 + 7.353P] where P = (Fo^2 + 2Fc^2)/3
S = 1.08	(Δ/σ)max < 0.001
13874 reflections	Δρmax = 0.89 e Å^−3
617 parameters	Δρmin = −0.62 e Å^−3
34 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. No guests or solvent were identified from the electron density map, SQUEEZE has been applied to address the residual electron density within the pore. SQUEEZE analysis indicated one void with a volume of 885 Ang**3 and an electron count of 234. This is equivalent to 4.88 cyclohexane molecules or 1.80 BBA-8,12-OMe molecules.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I305	0.52255 (12)	1.1512 (3)	0.63157 (18)	0.209 (3)	0.517 (11)
I306	0.62091 (16)	1.2314 (2)	0.56163 (16)	0.220 (3)	0.517 (11)
I304	0.39214 (15)	0.2598 (3)	0.39962 (18)	0.174 (2)	0.4104
I301	0.12560 (9)	1.15913 (14)	0.19360 (8)	0.1254 (8)	0.470 (3)
I303	0.35041 (13)	0.4073 (5)	0.51940 (16)	0.1697 (15)	0.4104
Zn33	0.57915 (9)	1.1238 (2)	0.59384 (13)	0.0720 (11)	0.517 (11)
I302	0.23125 (8)	1.23316 (15)	0.29313 (10)	0.1327 (8)	0.470 (3)
Zn32	0.37204 (14)	0.3989 (4)	0.4428 (3)	0.118 (2)	0.4104
Zn31	0.17009 (15)	1.1393 (3)	0.26918 (17)	0.1000 (11)	0.470 (3)
N304	0.21905 (17)	0.5516 (3)	0.2748 (2)	0.096 (2)
N310	0.5717 (2)	0.7769 (4)	0.4399 (3)	0.0947 (18)
N308	0.51872 (19)	0.7315 (4)	0.4748 (2)	0.0956 (19)
N312	0.5625 (2)	1.0207 (4)	0.5490 (3)	0.0985 (19)
N302	0.23376 (18)	0.6902 (4)	0.3133 (3)	0.100 (2)
N303	0.18130 (17)	0.6809 (3)	0.2509 (2)	0.095 (2)
N305	0.1197 (2)	0.4511 (4)	0.1411 (3)	0.111 (2)
N309	0.5370 (2)	0.6432 (4)	0.4158 (3)	0.0961 (19)
C334	0.5506 (2)	0.8707 (4)	0.4962 (3)	0.091 (2)
C321	0.4820 (2)	0.5994 (5)	0.4493 (4)	0.097 (2)
N301	0.1867 (3)	1.0067 (4)	0.2787 (4)	0.132 (3)
C332	0.5331 (2)	0.9662 (5)	0.5502 (3)	0.096 (2)
H332	0.515334	0.980323	0.569560	0.115*
C333	0.5266 (2)	0.8904 (5)	0.5252 (3)	0.088 (2)
H333	0.505438	0.851814	0.528154	0.106*
C306	0.2050 (2)	0.7254 (4)	0.2826 (3)	0.099 (3)
C308	0.2401 (2)	0.6026 (4)	0.3083 (3)	0.093 (2)
C307	0.1902 (2)	0.5946 (4)	0.2474 (3)	0.089 (2)
C326	0.5476 (3)	0.7867 (5)	0.4679 (3)	0.097 (3)
C324	0.5144 (3)	0.6609 (5)	0.4456 (3)	0.101 (3)
N306	0.3294 (2)	0.4692 (4)	0.3998 (3)	0.138 (4)
C325	0.5649 (2)	0.7031 (5)	0.4136 (3)	0.095 (2)
C316	0.2704 (2)	0.5581 (4)	0.3396 (3)	0.098 (2)
C313	0.1728 (2)	0.4547 (4)	0.2033 (3)	0.106 (3)
H313	0.193646	0.424152	0.222460	0.127*
C309	0.1659 (2)	0.5450 (4)	0.2104 (3)	0.090 (2)
C312	0.1498 (3)	0.4118 (5)	0.1690 (3)	0.117 (3)
H312	0.155000	0.350818	0.164233	0.140*
C322	0.4649 (3)	0.5930 (6)	0.4836 (4)	0.113 (3)
H322	0.474918	0.628448	0.509279	0.135*
C303	0.1987 (2)	0.8236 (5)	0.2824 (4)	0.114 (3)
N311	0.6436 (4)	0.6585 (5)	0.3229 (5)	0.157 (4)
C327	0.5914 (2)	0.6891 (5)	0.3822 (3)	0.101 (2)
C323	0.4323 (3)	0.5373 (6)	0.4858 (4)	0.116 (3)
H323	0.420675	0.536058	0.511832	0.139*
C336	0.5858 (4)	1.0067 (7)	0.5183 (5)	0.135 (4)
H336	0.605317	1.049360	0.514918	0.162*
C335	0.5812 (3)	0.9289 (6)	0.4913 (4)	0.123 (3)
H335	0.598112	0.916895	0.470646	0.148*
C314	0.3214 (3)	0.5564 (5)	0.4052 (4)	0.133 (4)
H314	0.336401	0.587356	0.430168	0.160*
C315	0.2927 (3)	0.6019 (5)	0.3762 (4)	0.126 (4)
H315	0.288225	0.663164	0.381188	0.151*
C317	0.2776 (3)	0.4687 (5)	0.3358 (4)	0.123 (4)
H317	0.262464	0.435433	0.311837	0.148*
N307	0.4185 (2)	0.4866 (5)	0.4503 (4)	0.128 (3)
C305	0.2145 (4)	0.9732 (7)	0.3095 (5)	0.143 (4)
H305	0.229384	1.011462	0.331367	0.171*
C304	0.2233 (3)	0.8782 (5)	0.3110 (5)	0.149 (5)
H304	0.245534	0.855094	0.331281	0.179*
C318	0.3067 (3)	0.4265 (5)	0.3667 (4)	0.148 (5)
H318	0.310482	0.364308	0.363809	0.178*
C301	0.1655 (4)	0.9534 (7)	0.2523 (5)	0.153 (5)
H301	0.145194	0.978227	0.229973	0.184*
C310	0.1371 (3)	0.5860 (5)	0.1809 (4)	0.161 (6)
H310	0.133196	0.648462	0.182477	0.193*
C328	0.5813 (4)	0.6247 (9)	0.3483 (5)	0.147 (4)
H328	0.558011	0.589747	0.345680	0.176*
C329	0.6074 (5)	0.6150 (9)	0.3189 (6)	0.160 (5)
H329	0.599950	0.575721	0.294100	0.192*
C311	0.1130 (4)	0.5342 (6)	0.1479 (4)	0.166 (6)
H311	0.090780	0.561668	0.129596	0.200*
C302	0.1694 (4)	0.8615 (5)	0.2531 (4)	0.141 (4)
H302	0.151335	0.825662	0.233029	0.170*
C330	0.6492 (5)	0.7167 (7)	0.3564 (5)	0.155 (5)
H330	0.671846	0.753405	0.358346	0.186*
C331	0.6278 (4)	0.7313 (7)	0.3877 (5)	0.132 (4)
H331	0.636968	0.768891	0.412810	0.159*
C320	0.4654 (4)	0.5491 (10)	0.4108 (5)	0.171 (6)
H320	0.474926	0.552522	0.383396	0.206*
I404	0.38194 (8)	0.26078 (14)	0.42229 (13)	0.1773 (17)	0.5597
Zn42	0.36810 (16)	0.4112 (4)	0.4523 (2)	0.194 (4)	0.5597
I403	0.34368 (17)	0.4420 (5)	0.5229 (2)	0.297 (4)	0.5597
I406	0.61504 (6)	1.23855 (13)	0.55545 (9)	0.0877 (10)	0.483 (11)
Zn43	0.5808 (2)	1.1204 (4)	0.5963 (2)	0.165 (4)	0.483 (11)
I405	0.52405 (6)	1.15119 (14)	0.63719 (8)	0.0878 (9)	0.483 (11)
I2	0.3605 (5)	0.2621 (11)	0.4564 (5)	0.080*	0.0298
Zn52	0.3660 (5)	0.4315 (14)	0.4585 (6)	0.080*	0.0298
I12	0.3414 (9)	0.4401 (18)	0.5321 (8)	0.080*	0.0298
C319	0.4343 (4)	0.4943 (10)	0.4161 (6)	0.173 (6)
H319	0.423500	0.458163	0.390917	0.208*
Zn	0.1858 (2)	1.1444 (3)	0.2861 (3)	0.175 (3)	0.513 (3)
I3	0.25017 (13)	1.2176 (2)	0.3206 (2)	0.242 (3)	0.513 (3)
I1	0.14798 (19)	1.1845 (3)	0.2077 (2)	0.261 (3)	0.513 (3)
I4	0.2565 (9)	1.198 (2)	0.3586 (9)	0.080*	0.0169 (12)
I6	0.1836 (9)	1.207 (2)	0.2263 (9)	0.080*	0.0169 (12)
Zn10	0.1893 (12)	1.169 (5)	0.3094 (10)	0.080*	0.0169 (12)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I305	0.219 (4)	0.159 (3)	0.198 (4)	0.097 (3)	−0.091 (3)	−0.033 (2)
I306	0.272 (5)	0.0790 (15)	0.235 (4)	−0.0524 (18)	−0.135 (4)	0.0298 (16)
I304	0.180 (3)	0.0836 (16)	0.226 (4)	0.0325 (14)	−0.042 (2)	0.003 (2)
I301	0.1868 (19)	0.0604 (8)	0.1173 (10)	0.0237 (9)	−0.0004 (11)	0.0088 (7)
I303	0.1000 (14)	0.224 (4)	0.169 (2)	−0.0117 (17)	−0.0158 (15)	0.119 (2)
Zn33	0.0721 (16)	0.0453 (19)	0.0852 (19)	0.0025 (11)	−0.0184 (14)	−0.0006 (14)
I302	0.1480 (17)	0.0545 (8)	0.1958 (19)	−0.0235 (9)	0.0339 (13)	−0.0316 (9)
Zn32	0.0686 (19)	0.073 (3)	0.190 (5)	−0.0191 (16)	−0.030 (2)	0.032 (2)
Zn31	0.125 (3)	0.0392 (14)	0.128 (2)	0.0039 (13)	0.0035 (17)	−0.0057 (12)
N304	0.087 (3)	0.042 (3)	0.137 (5)	−0.004 (2)	−0.032 (3)	0.002 (3)
N310	0.091 (4)	0.071 (4)	0.108 (5)	−0.003 (3)	−0.018 (4)	−0.008 (3)
N308	0.095 (4)	0.062 (3)	0.108 (4)	−0.003 (3)	−0.034 (3)	−0.004 (3)
N312	0.103 (4)	0.073 (4)	0.104 (5)	−0.011 (3)	−0.021 (4)	−0.010 (3)
N302	0.092 (4)	0.045 (3)	0.143 (5)	−0.013 (2)	−0.029 (4)	−0.004 (3)
N303	0.091 (3)	0.041 (3)	0.132 (5)	−0.003 (2)	−0.031 (3)	0.009 (3)
N305	0.116 (4)	0.047 (3)	0.138 (5)	−0.005 (3)	−0.056 (4)	0.008 (3)
N309	0.094 (4)	0.066 (4)	0.113 (5)	−0.001 (3)	−0.018 (4)	−0.010 (3)
C334	0.097 (5)	0.054 (4)	0.103 (5)	−0.007 (3)	−0.027 (4)	−0.008 (3)
C321	0.091 (5)	0.060 (4)	0.120 (6)	0.000 (3)	−0.032 (5)	−0.002 (4)
N301	0.151 (7)	0.043 (3)	0.199 (9)	0.013 (4)	0.020 (7)	0.005 (5)
C332	0.080 (4)	0.072 (4)	0.119 (6)	−0.006 (3)	−0.023 (4)	0.001 (4)
C333	0.087 (4)	0.058 (4)	0.102 (5)	−0.008 (3)	−0.026 (4)	−0.001 (3)
C306	0.104 (5)	0.036 (3)	0.138 (6)	−0.004 (3)	−0.027 (5)	0.003 (3)
C308	0.086 (4)	0.045 (3)	0.130 (6)	−0.012 (3)	−0.028 (4)	0.000 (3)
C307	0.086 (4)	0.048 (3)	0.113 (5)	0.001 (3)	−0.028 (4)	0.005 (3)
C326	0.095 (5)	0.058 (4)	0.113 (6)	−0.002 (4)	−0.041 (5)	−0.008 (4)
C324	0.096 (5)	0.065 (4)	0.117 (6)	−0.002 (4)	−0.044 (5)	−0.003 (4)
N306	0.115 (5)	0.054 (3)	0.201 (8)	−0.026 (3)	−0.077 (5)	0.030 (4)
C325	0.104 (5)	0.058 (4)	0.104 (5)	0.009 (4)	−0.029 (4)	−0.005 (4)
C316	0.094 (4)	0.046 (3)	0.134 (6)	−0.018 (3)	−0.027 (4)	0.011 (3)
C313	0.113 (5)	0.047 (3)	0.130 (6)	0.011 (3)	−0.046 (5)	0.005 (4)
C309	0.087 (4)	0.043 (3)	0.118 (5)	−0.008 (3)	−0.033 (4)	0.006 (3)
C312	0.118 (5)	0.049 (4)	0.149 (7)	0.004 (3)	−0.058 (5)	0.009 (4)
C322	0.105 (6)	0.070 (5)	0.139 (8)	−0.018 (4)	−0.036 (6)	−0.004 (5)
C303	0.105 (5)	0.042 (3)	0.174 (9)	−0.003 (3)	−0.023 (5)	0.001 (4)
N311	0.214 (11)	0.048 (4)	0.224 (12)	0.019 (5)	0.079 (9)	0.006 (5)
C327	0.093 (5)	0.060 (4)	0.142 (7)	0.010 (3)	0.005 (5)	−0.006 (4)
C323	0.100 (5)	0.075 (5)	0.152 (8)	−0.011 (4)	−0.030 (5)	0.000 (5)
C336	0.148 (9)	0.082 (6)	0.157 (10)	−0.035 (6)	−0.016 (8)	−0.021 (6)
C335	0.141 (7)	0.083 (6)	0.139 (8)	−0.038 (5)	0.012 (6)	−0.021 (5)
C314	0.139 (7)	0.063 (5)	0.158 (8)	−0.026 (4)	−0.070 (6)	0.019 (5)
C315	0.124 (6)	0.046 (3)	0.168 (8)	−0.012 (4)	−0.069 (6)	0.008 (4)
C317	0.111 (5)	0.058 (4)	0.164 (8)	0.005 (4)	−0.066 (6)	−0.002 (4)
N307	0.092 (5)	0.076 (4)	0.189 (9)	−0.013 (4)	−0.045 (5)	0.008 (5)
C305	0.133 (8)	0.069 (6)	0.218 (13)	−0.032 (6)	0.014 (9)	−0.029 (7)
C304	0.141 (8)	0.043 (4)	0.233 (13)	−0.012 (4)	−0.042 (8)	−0.008 (5)
C318	0.133 (7)	0.046 (4)	0.214 (11)	−0.014 (4)	−0.094 (7)	0.022 (5)
C301	0.186 (11)	0.061 (5)	0.184 (11)	0.029 (6)	−0.037 (9)	0.001 (6)
C310	0.158 (8)	0.047 (4)	0.218 (12)	0.005 (4)	−0.116 (8)	−0.007 (5)
C328	0.129 (8)	0.138 (10)	0.164 (11)	0.017 (7)	0.004 (8)	−0.044 (8)
C329	0.172 (12)	0.096 (8)	0.208 (14)	0.015 (8)	0.028 (11)	−0.048 (8)
C311	0.180 (9)	0.065 (5)	0.190 (10)	0.004 (5)	−0.127 (9)	−0.006 (5)
C302	0.182 (10)	0.043 (4)	0.170 (10)	0.013 (5)	−0.038 (8)	−0.005 (5)
C330	0.215 (14)	0.074 (6)	0.184 (12)	−0.044 (7)	0.058 (11)	−0.022 (7)
C331	0.160 (10)	0.083 (6)	0.156 (10)	−0.014 (6)	0.035 (8)	−0.018 (6)
C320	0.128 (8)	0.178 (12)	0.196 (13)	−0.046 (8)	0.002 (8)	−0.108 (11)
I404	0.1543 (17)	0.0535 (7)	0.259 (3)	−0.0056 (10)	−0.123 (2)	0.0237 (13)
Zn42	0.168 (4)	0.082 (3)	0.257 (6)	−0.043 (2)	−0.150 (4)	0.069 (3)
I403	0.158 (3)	0.312 (7)	0.359 (6)	−0.063 (3)	−0.108 (3)	0.232 (5)
I406	0.0998 (13)	0.0430 (8)	0.1088 (12)	−0.0021 (6)	−0.0086 (9)	0.0020 (6)
Zn43	0.203 (6)	0.061 (3)	0.172 (5)	0.018 (3)	−0.109 (4)	−0.017 (3)
I405	0.0918 (12)	0.0783 (12)	0.0851 (11)	0.0197 (8)	−0.0039 (8)	0.0054 (7)
C319	0.134 (9)	0.165 (13)	0.211 (15)	−0.084 (9)	0.011 (10)	−0.082 (11)
Zn	0.204 (6)	0.0430 (15)	0.299 (9)	−0.001 (3)	0.103 (5)	−0.017 (3)
I3	0.203 (3)	0.0842 (16)	0.482 (9)	−0.0655 (18)	0.174 (4)	−0.110 (3)
I1	0.365 (7)	0.116 (2)	0.345 (6)	0.116 (3)	0.180 (5)	0.106 (3)

Geometric parameters (Å, º)

I305—Zn33	2.478 (5)	C312—H312	0.9500
I306—Zn33	2.485 (5)	C322—H322	0.9500
I304—Zn32	2.628 (8)	C322—C323	1.412 (14)
I301—Zn31	2.515 (4)	C303—C304	1.364 (13)
I303—Zn32	2.570 (8)	C303—C302	1.336 (13)
Zn33—N312	2.066 (7)	N311—C329	1.394 (18)
Zn33—N305^i	2.120 (7)	N311—C330	1.326 (17)
I302—Zn31	2.525 (5)	N311—Zn^iii	2.005 (13)
Zn32—N306	2.059 (8)	N311—Zn10^iii	1.71 (4)
Zn32—N307	2.053 (10)	C327—C328	1.404 (15)
Zn31—N301	2.077 (8)	C327—C331	1.386 (14)
Zn31—N311^ii	2.032 (13)	C323—H323	0.9500
N304—C308	1.363 (9)	C323—N307	1.328 (13)
N304—C307	1.333 (8)	C336—H336	0.9500
N310—C326	1.306 (12)	C336—C335	1.418 (14)
N310—C325	1.359 (10)	C335—H335	0.9500
N308—C326	1.343 (12)	C314—H314	0.9500
N308—C324	1.370 (11)	C314—C315	1.372 (11)
N312—C332	1.307 (11)	C315—H315	0.9500
N312—C336	1.356 (15)	C317—H317	0.9500
N312—Zn43	2.083 (9)	C317—C318	1.387 (10)
N302—C306	1.334 (9)	N307—Zn42	2.085 (10)
N302—C308	1.347 (9)	N307—Zn52	2.050 (17)
N303—C306	1.316 (9)	N307—C319	1.265 (18)
N303—C307	1.340 (9)	C305—H305	0.9500
N305—C312	1.340 (9)	C305—C304	1.457 (14)
N305—C311	1.293 (11)	C304—H304	0.9500
N309—C324	1.327 (12)	C318—H318	0.9500
N309—C325	1.330 (11)	C301—H301	0.9500
C334—C333	1.351 (12)	C301—C302	1.387 (13)
C334—C326	1.518 (11)	C310—H310	0.9500
C334—C335	1.398 (13)	C310—C311	1.405 (11)
C321—C324	1.469 (13)	C328—H328	0.9500
C321—C322	1.295 (14)	C328—C329	1.39 (2)
C321—C320	1.413 (13)	C329—H329	0.9500
N301—C305	1.303 (15)	C311—H311	0.9500
N301—C301	1.261 (15)	C302—H302	0.9500
N301—Zn	2.081 (8)	C330—H330	0.9500
C332—H332	0.9500	C330—C331	1.325 (17)
C332—C333	1.361 (11)	C330—Zn10^iii	2.28 (6)
C333—H333	0.9500	C331—H331	0.9500
C306—C303	1.492 (9)	C320—H320	0.9500
C308—C316	1.434 (10)	C320—C319	1.386 (19)
C307—C309	1.468 (9)	I404—Zn42	2.515 (7)
N306—C314	1.355 (12)	Zn42—I403	2.485 (9)
N306—C318	1.312 (11)	I406—Zn43	2.574 (7)
N306—Zn42	2.061 (8)	Zn43—I405	2.551 (7)
N306—Zn52	2.051 (17)	I2—Zn52	2.552 (17)
C325—C327	1.453 (13)	Zn52—I12	2.534 (16)
C316—C315	1.388 (11)	C319—H319	0.9500
C316—C317	1.375 (11)	Zn—I3	2.517 (7)
C313—H313	0.9500	Zn—I1	2.551 (9)
C313—C309	1.401 (10)	I4—Zn10	2.540 (18)
C313—C312	1.345 (11)	I6—Zn10	2.548 (18)
C309—C310	1.348 (10)
I305—Zn33—I306	129.8 (2)	C331—C327—C325	121.5 (9)
N312—Zn33—I305	106.4 (3)	C331—C327—C328	119.7 (11)
N312—Zn33—I306	109.9 (3)	C322—C323—H323	121.1
N312—Zn33—N305^i	96.3 (3)	N307—C323—C322	117.8 (12)
N305^i—Zn33—I305	104.6 (3)	N307—C323—H323	121.1
N305^i—Zn33—I306	104.7 (3)	N312—C336—H336	119.7
I303—Zn32—I304	129.6 (3)	N312—C336—C335	120.5 (10)
N306—Zn32—I304	108.5 (4)	C335—C336—H336	119.7
N306—Zn32—I303	104.4 (4)	C334—C335—C336	117.1 (11)
N307—Zn32—I304	106.9 (4)	C334—C335—H335	121.4
N307—Zn32—I303	103.0 (5)	C336—C335—H335	121.4
N307—Zn32—N306	100.9 (4)	N306—C314—H314	118.6
I301—Zn31—I302	121.7 (2)	N306—C314—C315	122.8 (8)
N301—Zn31—I301	110.1 (4)	C315—C314—H314	118.6
N301—Zn31—I302	107.6 (3)	C316—C315—H315	120.1
N311^ii—Zn31—I301	114.9 (5)	C314—C315—C316	119.7 (8)
N311^ii—Zn31—I302	99.8 (4)	C314—C315—H315	120.1
N311^ii—Zn31—N301	100.4 (4)	C316—C317—H317	119.7
C307—N304—C308	114.6 (6)	C316—C317—C318	120.6 (7)
C326—N310—C325	114.3 (7)	C318—C317—H317	119.7
C326—N308—C324	111.6 (8)	C323—N307—Zn32	127.4 (10)
C332—N312—Zn33	124.8 (7)	C323—N307—Zn42	117.3 (10)
C332—N312—C336	119.0 (8)	C323—N307—Zn52	108.7 (11)
C332—N312—Zn43	124.5 (8)	C319—N307—Zn32	114.7 (8)
C336—N312—Zn33	116.0 (6)	C319—N307—C323	117.9 (10)
C336—N312—Zn43	116.1 (6)	C319—N307—Zn42	124.4 (8)
C306—N302—C308	115.0 (6)	C319—N307—Zn52	131.7 (10)
C306—N303—C307	115.4 (5)	N301—C305—H305	119.3
C312—N305—Zn33^iv	121.4 (5)	N301—C305—C304	121.4 (10)
C311—N305—Zn33^iv	120.3 (5)	C304—C305—H305	119.3
C311—N305—C312	117.7 (6)	C303—C304—C305	117.9 (10)
C324—N309—C325	115.1 (7)	C303—C304—H304	121.1
C333—C334—C326	124.4 (8)	C305—C304—H304	121.1
C333—C334—C335	120.1 (7)	N306—C318—C317	122.7 (8)
C335—C334—C326	115.6 (10)	N306—C318—H318	118.7
C322—C321—C324	125.3 (8)	C317—C318—H318	118.7
C322—C321—C320	116.5 (10)	N301—C301—H301	117.4
C320—C321—C324	117.9 (12)	N301—C301—C302	125.3 (11)
C305—N301—Zn31	128.0 (8)	C302—C301—H301	117.4
C305—N301—Zn	109.3 (8)	C309—C310—H310	120.8
C301—N301—Zn31	114.2 (8)	C309—C310—C311	118.4 (7)
C301—N301—C305	117.7 (8)	C311—C310—H310	120.8
C301—N301—Zn	132.9 (8)	C327—C328—H328	122.0
N312—C332—H332	118.2	C329—C328—C327	116.1 (12)
N312—C332—C333	123.7 (9)	C329—C328—H328	122.0
C333—C332—H332	118.2	N311—C329—H329	117.5
C334—C333—C332	119.2 (8)	C328—C329—N311	125.1 (12)
C334—C333—H333	120.4	C328—C329—H329	117.5
C332—C333—H333	120.4	N305—C311—C310	123.3 (7)
N302—C306—C303	118.8 (6)	N305—C311—H311	118.3
N303—C306—N302	125.6 (6)	C310—C311—H311	118.3
N303—C306—C303	115.6 (6)	C303—C302—C301	119.6 (10)
N304—C308—C316	116.5 (6)	C303—C302—H302	120.2
N302—C308—N304	124.0 (6)	C301—C302—H302	120.2
N302—C308—C316	119.5 (6)	N311—C330—H330	115.2
N304—C307—N303	125.1 (6)	N311—C330—Zn10^iii	48.1 (14)
N304—C307—C309	118.5 (6)	C331—C330—N311	129.7 (13)
N303—C307—C309	116.4 (5)	C331—C330—H330	115.2
N310—C326—N308	128.1 (7)	C331—C330—Zn10^iii	169.9 (19)
N310—C326—C334	118.4 (8)	Zn10^iii—C330—H330	68.2
N308—C326—C334	113.5 (10)	C327—C331—H331	121.5
N308—C324—C321	115.3 (10)	C330—C331—C327	116.9 (12)
N309—C324—N308	126.1 (8)	C330—C331—H331	121.5
N309—C324—C321	118.6 (8)	C321—C320—H320	122.5
C314—N306—Zn32	123.8 (6)	C319—C320—C321	115.0 (14)
C314—N306—Zn42	115.5 (6)	C319—C320—H320	122.5
C314—N306—Zn52	105.5 (9)	N306—Zn42—N307	99.7 (4)
C318—N306—Zn32	118.7 (6)	N306—Zn42—I404	103.9 (4)
C318—N306—C314	117.4 (6)	N306—Zn42—I403	107.9 (4)
C318—N306—Zn42	125.8 (5)	N307—Zn42—I404	105.1 (4)
C318—N306—Zn52	134.7 (8)	N307—Zn42—I403	110.2 (5)
N310—C325—C327	116.1 (8)	I403—Zn42—I404	126.6 (3)
N309—C325—N310	124.6 (9)	N312—Zn43—I406	105.9 (4)
N309—C325—C327	119.2 (7)	N312—Zn43—I405	107.6 (4)
C315—C316—C308	122.0 (7)	N305^i—Zn43—N312	98.8 (4)
C317—C316—C308	121.4 (7)	N305^i—Zn43—I406	112.5 (4)
C317—C316—C315	116.6 (7)	N305^i—Zn43—I405	104.0 (4)
C309—C313—H313	120.4	I405—Zn43—I406	125.0 (3)
C312—C313—H313	120.4	N306—Zn52—I2	102.9 (9)
C312—C313—C309	119.3 (6)	N306—Zn52—I12	119.6 (12)
C313—C309—C307	121.3 (6)	N307—Zn52—N306	101.2 (7)
C310—C309—C307	120.8 (6)	N307—Zn52—I2	117.6 (10)
C310—C309—C313	117.8 (7)	N307—Zn52—I12	122.6 (12)
N305—C312—C313	123.1 (7)	I12—Zn52—I2	92.1 (8)
N305—C312—H312	118.5	N307—C319—C320	127.8 (12)
C313—C312—H312	118.5	N307—C319—H319	116.1
C321—C322—H322	117.6	C320—C319—H319	116.1
C321—C322—C323	124.9 (10)	N301—Zn—I3	116.7 (4)
C323—C322—H322	117.6	N301—Zn—I1	98.6 (4)
C304—C303—C306	121.4 (8)	N311^ii—Zn—N301	101.1 (5)
C302—C303—C306	120.9 (7)	N311^ii—Zn—I3	113.6 (5)
C302—C303—C304	117.6 (8)	N311^ii—Zn—I1	101.3 (5)
C329—N311—Zn31^iii	113.4 (11)	I3—Zn—I1	122.4 (3)
C329—N311—Zn^iii	129.5 (10)	N311^ii—Zn10—C330^ii	35.2 (12)
C329—N311—Zn10^iii	151 (2)	N311^ii—Zn10—I4	131 (2)
C330—N311—Zn31^iii	133.3 (10)	N311^ii—Zn10—I6	110.8 (17)
C330—N311—C329	111.7 (12)	C330^ii—Zn10—I4	100.1 (18)
C330—N311—Zn^iii	118.8 (11)	C330^ii—Zn10—I6	127 (3)
C330—N311—Zn10^iii	97 (2)	I4—Zn10—I6	115.5 (16)
C328—C327—C325	118.5 (9)
Zn33—N312—C332—C333	−168.9 (6)	C324—N309—C325—C327	179.5 (7)
Zn33—N312—C336—C335	169.0 (8)	C324—C321—C322—C323	176.2 (8)
Zn33^iv—N305—C312—C313	−170.9 (9)	C324—C321—C320—C319	−178.2 (12)
Zn33^iv—N305—C311—C310	175.3 (13)	N306—C314—C315—C316	0 (2)
Zn32—N306—C314—C315	−179.7 (10)	C325—N310—C326—N308	3.1 (11)
Zn32—N306—C318—C317	−179.2 (11)	C325—N310—C326—C334	−175.3 (6)
Zn32—N307—C319—C320	178.8 (15)	C325—N309—C324—N308	−3.3 (11)
Zn31—N301—C305—C304	−178.4 (10)	C325—N309—C324—C321	178.3 (6)
Zn31—N301—C301—C302	−176.9 (13)	C325—C327—C328—C329	179.1 (11)
Zn31^iii—N311—C329—C328	−172.7 (12)	C325—C327—C331—C330	−177.7 (10)
Zn31^iii—N311—C330—C331	171.7 (12)	C316—C317—C318—N306	−2 (2)
N304—C308—C316—C315	−177.5 (10)	C313—C309—C310—C311	7 (2)
N304—C308—C316—C317	0.0 (14)	C309—C313—C312—N305	−0.9 (17)
N304—C307—C309—C313	−0.7 (13)	C309—C310—C311—N305	−8 (2)
N304—C307—C309—C310	−178.0 (11)	C312—N305—C311—C310	4 (2)
N310—C325—C327—C328	−167.6 (9)	C312—C313—C309—C307	179.8 (10)
N310—C325—C327—C331	18.8 (12)	C312—C313—C309—C310	−2.8 (16)
N312—C332—C333—C334	−2.5 (11)	C322—C321—C324—N308	−18.7 (11)
N312—C336—C335—C334	3.1 (16)	C322—C321—C324—N309	159.9 (8)
N302—C306—C303—C304	4.4 (17)	C322—C321—C320—C319	−4.2 (18)
N302—C306—C303—C302	−177.8 (12)	C322—C323—N307—Zn32	179.9 (6)
N302—C308—C316—C315	2.2 (15)	C322—C323—N307—Zn42	−175.9 (6)
N302—C308—C316—C317	179.6 (10)	C322—C323—N307—Zn52	−169.8 (9)
N303—C306—C303—C304	−174.4 (12)	C322—C323—N307—C319	−3.0 (15)
N303—C306—C303—C302	3.4 (17)	N311—C330—C331—C327	−10 (2)
N303—C307—C309—C313	179.3 (9)	C327—C328—C329—N311	6 (2)
N303—C307—C309—C310	2.0 (15)	C323—N307—C319—C320	1 (3)
N309—C325—C327—C328	14.3 (12)	C336—N312—C332—C333	6.7 (12)
N309—C325—C327—C331	−159.3 (9)	C335—C334—C333—C332	−1.5 (11)
C321—C322—C323—N307	1.0 (14)	C335—C334—C326—N310	−3.5 (10)
C321—C320—C319—N307	2 (3)	C335—C334—C326—N308	177.9 (7)
N301—C305—C304—C303	−7 (2)	C314—N306—C318—C317	5 (2)
N301—C301—C302—C303	−3 (3)	C315—C316—C317—C318	−1.8 (18)
C332—N312—C336—C335	−6.9 (15)	C317—C316—C315—C314	2.6 (17)
C333—C334—C326—N310	177.6 (7)	C305—N301—C301—C302	0 (2)
C333—C334—C326—N308	−1.0 (10)	C304—C303—C302—C301	1 (2)
C333—C334—C335—C336	1.1 (14)	C318—N306—C314—C315	−4 (2)
C306—N302—C308—N304	−0.3 (14)	C301—N301—C305—C304	5 (2)
C306—N302—C308—C316	−179.9 (9)	C328—C327—C331—C330	8.8 (17)
C306—N303—C307—N304	4.0 (14)	C329—N311—C330—C331	7 (2)
C306—N303—C307—C309	−176.0 (8)	C329—N311—C330—Zn10^iii	174 (2)
C306—C303—C304—C305	−178.5 (11)	C311—N305—C312—C313	0.3 (18)
C306—C303—C302—C301	−176.8 (13)	C302—C303—C304—C305	4 (2)
C308—N304—C307—N303	0.1 (13)	C330—N311—C329—C328	−5 (2)
C308—N304—C307—C309	−179.9 (8)	C331—C327—C328—C329	−7.2 (18)
C308—N302—C306—N303	5.2 (15)	C320—C321—C324—N308	154.7 (9)
C308—N302—C306—C303	−173.5 (9)	C320—C321—C324—N309	−26.8 (12)
C308—C316—C315—C314	−179.9 (11)	C320—C321—C322—C323	2.8 (15)
C308—C316—C317—C318	−179.4 (11)	Zn42—N306—C314—C315	−171.7 (10)
C307—N304—C308—N302	−2.1 (13)	Zn42—N306—C318—C317	171.1 (10)
C307—N304—C308—C316	177.6 (8)	Zn42—N307—C319—C320	173.7 (14)
C307—N303—C306—N302	−6.9 (15)	Zn43—N312—C332—C333	−165.6 (6)
C307—N303—C306—C303	171.8 (9)	Zn43—N312—C336—C335	166.1 (9)
C307—C309—C310—C311	−175.9 (12)	Zn52—N306—C314—C315	−168.9 (12)
C326—N310—C325—N309	−1.4 (10)	Zn52—N306—C318—C317	164.1 (13)
C326—N310—C325—C327	−179.4 (6)	Zn52—N307—C319—C320	164.4 (15)
C326—N308—C324—N309	4.6 (10)	Zn—N301—C305—C304	−176.9 (11)
C326—N308—C324—C321	−177.0 (6)	Zn—N301—C301—C302	−177.3 (12)
C326—C334—C333—C332	177.4 (6)	Zn^iii—N311—C329—C328	174.9 (11)
C326—C334—C335—C336	−177.9 (9)	Zn^iii—N311—C330—C331	−172.6 (13)
C324—N308—C326—N310	−4.5 (10)	Zn10^iii—N311—C329—C328	163 (4)
C324—N308—C326—C334	174.0 (5)	Zn10^iii—N311—C330—C331	−167 (2)
C324—N309—C325—N310	1.5 (10)	Zn10^iii—C330—C331—C327	−82 (9)

Symmetry codes: (i) x+1/2, −y+3/2, z+1/2; (ii) x−1/2, y+1/2, z; (iii) x+1/2, y−1/2, z; (iv) x−1/2, −y+3/2, z−1/2.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (25_10_48c)

Crystal data

C108H72I18N36Zn9·1.245(C15H16O3)·2.722(C6H12)	F(000) = 19908
Mr = 5279.69	Dx = 1.448 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 78.834 (3) Å	Cell parameters from 13450 reflections
b = 14.9690 (3) Å	θ = 2.3–68.0°
c = 41.7028 (12) Å	µ = 19.32 mm^−1
β = 100.198 (3)°	T = 100 K
V = 48435 (2) Å^3	Block, light yellow
Z = 8	0.22 × 0.13 × 0.05 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	44038 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	31061 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.070
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.2°
profile data from ω–scans	h = −93→94
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −18→18
Tmin = 0.047, Tmax = 0.448	l = −44→50
166422 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.120	H-atom parameters constrained
wR(F^2) = 0.359	w = 1/[σ^2(Fo^2) + (0.1403P)^2 + 2693.1392P] where P = (Fo^2 + 2Fc^2)/3
S = 1.06	(Δ/σ)max = 0.001
44038 reflections	Δρmax = 2.20 e Å^−3
2502 parameters	Δρmin = −1.77 e Å^−3
1335 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I306	0.58577 (7)	0.5024 (2)	0.75731 (14)	0.0493 (13)	0.69 (3)
I309	0.45156 (6)	0.1147 (4)	0.78547 (16)	0.076 (2)	0.58 (4)
I307	0.44140 (5)	0.9660 (2)	0.65908 (10)	0.058 (2)	0.66 (5)
I308	0.44087 (9)	0.9650 (5)	0.55287 (16)	0.098 (3)	0.66 (5)
I310	0.39826 (9)	0.0332 (5)	0.73301 (16)	0.069 (2)	0.58 (4)
I302	0.60223 (17)	1.4759 (6)	0.91057 (19)	0.0467 (13)	0.4877
I403	0.6175 (2)	0.5993 (9)	1.1060 (3)	0.145 (6)	0.34 (2)
I404	0.5631 (3)	0.5137 (13)	1.0630 (4)	0.180 (7)	0.34 (2)
I301	0.60716 (19)	1.3900 (7)	1.01327 (19)	0.061 (2)	0.4877
I305	0.63446 (6)	0.6568 (4)	0.75469 (14)	0.0677 (13)	0.69 (3)
I312	0.41821 (16)	0.0120 (5)	0.44725 (19)	0.135 (4)	0.4564
I311	0.46665 (13)	0.1556 (9)	0.4357 (2)	0.103 (3)	0.4564
I317	0.30208 (9)	−0.3361 (11)	0.0949 (3)	0.076 (3)	0.46 (5)
I318	0.25287 (11)	−0.4780 (5)	0.1010 (3)	0.078 (3)	0.46 (5)
I314	0.27002 (5)	0.4939 (3)	0.24899 (10)	0.0511 (7)	0.4878
I313	0.27182 (8)	0.4209 (4)	0.35265 (11)	0.0679 (12)	0.4878
I315	0.28178 (4)	−0.39012 (18)	0.44278 (6)	0.0937 (8)	0.6926
Zn35	0.42169 (15)	0.1466 (11)	0.7536 (3)	0.0581 (7)	0.58 (4)
I316	0.22755 (5)	−0.47611 (15)	0.39800 (7)	0.1018 (9)	0.6926
Zn33	0.60311 (6)	0.6465 (4)	0.76021 (12)	0.0443 (19)	0.69 (3)
Zn34	0.45242 (7)	0.9080 (3)	0.60983 (14)	0.050 (3)	0.66 (5)
Zn42	0.5873 (2)	0.6270 (12)	1.0753 (3)	0.117 (9)	0.34 (2)
Zn36	0.43571 (14)	0.1522 (6)	0.44500 (19)	0.069 (5)	0.4564
Zn39	0.27136 (11)	−0.3378 (7)	0.1039 (2)	0.068 (6)	0.46 (5)
Zn31	0.6155 (2)	1.3736 (6)	0.9575 (3)	0.047 (4)	0.4877
Zn37	0.28224 (9)	0.3999 (5)	0.2990 (2)	0.0452 (16)	0.4878
Zn38	0.25136 (7)	−0.3634 (2)	0.41289 (10)	0.0657 (10)	0.6926
N310	0.5397 (2)	1.0376 (8)	0.6266 (3)	0.053 (4)
N316	0.43630 (19)	0.3121 (7)	0.6031 (3)	0.044 (3)
N314	0.44372 (18)	0.4441 (7)	0.5786 (3)	0.041 (3)
N304	0.5972 (2)	0.7877 (8)	0.9191 (3)	0.052 (4)
N317	0.4263 (2)	0.2179 (8)	0.7138 (3)	0.055 (4)
N308	0.5425 (2)	0.9037 (8)	0.6576 (3)	0.054 (4)
N328	0.26692 (19)	−0.1914 (9)	0.2636 (3)	0.053 (3)
N315	0.44204 (18)	0.4429 (8)	0.6348 (3)	0.045 (3)
N319	0.4213 (2)	0.2350 (9)	0.4114 (3)	0.057 (4)
N302	0.6036 (2)	0.9272 (9)	0.8967 (3)	0.052 (3)
N313	0.4504 (2)	0.7690 (8)	0.6098 (3)	0.052 (3)
N323	0.4104 (2)	0.7561 (8)	0.2780 (3)	0.049 (3)
N309	0.5672 (2)	0.9857 (9)	0.6515 (3)	0.055 (4)
N326	0.27548 (19)	−0.0537 (9)	0.2416 (4)	0.056 (4)
N321	0.39703 (19)	0.4770 (8)	0.3343 (3)	0.050 (3)
N307	0.5899 (2)	0.7316 (8)	0.7254 (3)	0.049 (3)
N322	0.3694 (2)	0.5284 (9)	0.3092 (3)	0.052 (3)
N305	0.5899 (2)	0.6861 (9)	1.0311 (3)	0.067 (5)
N312	0.4786 (2)	0.9246 (8)	0.6174 (3)	0.058 (4)
N318	0.4361 (2)	0.2208 (9)	0.4872 (3)	0.068 (5)
N306	0.6005 (2)	0.7108 (9)	0.8026 (3)	0.054 (4)
C352	0.4383 (2)	0.3100 (9)	0.5461 (3)	0.044 (4)
C342	0.4445 (2)	0.4860 (10)	0.6065 (3)	0.046 (4)
C334	0.5141 (2)	0.9502 (10)	0.6313 (3)	0.048 (4)
O2A	0.4775 (2)	0.5333 (10)	0.7070 (4)	0.079 (5)	0.8582
N327	0.2718 (2)	−0.0657 (9)	0.2969 (3)	0.053 (3)
N336	0.1422 (2)	−0.1078 (11)	−0.0383 (5)	0.074 (4)
C361	0.3862 (2)	0.5356 (10)	0.3161 (3)	0.045 (4)
N303	0.6032 (2)	0.9129 (9)	0.9537 (3)	0.058 (4)
N333	0.2296 (2)	−0.0256 (11)	−0.0096 (4)	0.073 (5)
O3A	0.4587 (2)	0.5698 (10)	0.8069 (4)	0.068 (4)	0.8582
C326	0.5331 (3)	0.9646 (10)	0.6387 (3)	0.054 (5)
C303	0.6081 (2)	1.0574 (10)	0.9314 (4)	0.049 (4)
C321	0.5699 (3)	0.8512 (11)	0.6838 (4)	0.055 (4)
C325	0.5561 (3)	1.0462 (11)	0.6337 (3)	0.054 (4)
C324	0.5590 (2)	0.9172 (10)	0.6632 (3)	0.044 (4)
C347	0.4330 (3)	0.2998 (11)	0.7163 (4)	0.059 (5)
H347	0.435499	0.326265	0.737357	0.070*
N301	0.6121 (2)	1.2393 (9)	0.9448 (4)	0.066 (4)
N311	0.5786 (2)	1.2781 (9)	0.5998 (3)	0.060 (4)
C344	0.4397 (2)	0.3604 (9)	0.5772 (3)	0.046 (4)
C343	0.4381 (2)	0.3581 (9)	0.6305 (3)	0.040 (3)
O1A	0.5048 (2)	0.7442 (10)	0.7999 (3)	0.074 (4)	0.8582
H1A	0.501109	0.792012	0.806686	0.111*	0.8582
C345	0.4344 (2)	0.3084 (9)	0.6601 (3)	0.042 (3)
N330	0.2706 (2)	−0.2723 (10)	0.1473 (4)	0.067 (4)
C338	0.4507 (2)	0.6307 (10)	0.6382 (3)	0.046 (4)
H338	0.451949	0.600107	0.658410	0.055*
C367	0.3852 (2)	0.6682 (11)	0.2795 (4)	0.054 (4)
H367	0.373348	0.657160	0.271459	0.064*
C363	0.3944 (2)	0.6152 (10)	0.3040 (3)	0.046 (4)
N334	0.2014 (3)	0.0163 (11)	−0.0325 (4)	0.074 (5)
C379	0.2681 (2)	−0.1503 (11)	0.2906 (4)	0.051 (4)
C364	0.4114 (2)	0.6395 (10)	0.3156 (4)	0.048 (4)
H364	0.417802	0.606544	0.333101	0.057*
C339	0.4470 (2)	0.5845 (9)	0.6084 (3)	0.042 (3)
N320	0.3720 (2)	0.3977 (9)	0.3414 (3)	0.057 (4)
C307	0.5993 (2)	0.8275 (10)	0.9472 (3)	0.050 (4)
C348	0.4246 (3)	0.1790 (10)	0.6840 (4)	0.058 (5)
H348	0.420527	0.119287	0.681548	0.069*
C355	0.4268 (3)	0.2767 (12)	0.3876 (4)	0.063 (5)
H355	0.438372	0.266732	0.384847	0.076*
C7A	0.4682 (3)	0.5474 (10)	0.7574 (4)	0.059 (5)	0.8582
N325	0.2800 (2)	0.2609 (11)	0.2874 (5)	0.073 (5)
C323	0.5728 (3)	0.7177 (12)	0.7145 (3)	0.054 (4)
H323	0.567703	0.664694	0.720982	0.065*
C349	0.4287 (3)	0.2217 (10)	0.6575 (3)	0.058 (5)
H349	0.427479	0.191565	0.637169	0.070*
N329	0.2532 (3)	−0.2930 (10)	0.3684 (4)	0.092 (6)
C306	0.6055 (3)	0.9611 (11)	0.9269 (3)	0.053 (4)
N331	0.2573 (2)	−0.2534 (11)	0.0713 (4)	0.068 (4)
C340	0.4447 (3)	0.6324 (11)	0.5794 (4)	0.061 (5)
H340	0.441972	0.602828	0.558976	0.073*
C357	0.3997 (2)	0.3496 (11)	0.3687 (4)	0.052 (4)
C308	0.6004 (3)	0.8413 (10)	0.8942 (4)	0.060 (5)
C341	0.4464 (3)	0.7234 (10)	0.5811 (4)	0.057 (5)
H341	0.444813	0.756356	0.561305	0.069*
C356	0.4169 (3)	0.3338 (11)	0.3667 (4)	0.056 (4)
H356	0.421803	0.363378	0.350425	0.068*
C365	0.4191 (3)	0.7080 (10)	0.3029 (4)	0.055 (4)
H365	0.430728	0.722605	0.311640	0.066*
C362	0.3629 (2)	0.4559 (11)	0.3226 (4)	0.055 (4)
C301	0.6142 (3)	1.1811 (12)	0.9683 (4)	0.065 (5)
H301	0.617627	1.201771	0.989959	0.078*
C353	0.4318 (2)	0.2254 (10)	0.5433 (3)	0.051 (4)
H353	0.428445	0.195409	0.561233	0.061*
C354	0.4304 (3)	0.1850 (11)	0.5128 (3)	0.057 (5)
H354	0.424974	0.128052	0.510032	0.068*
N332	0.2061 (2)	−0.1116 (11)	0.0005 (4)	0.070 (4)
C313	0.5938 (3)	0.6843 (10)	0.9754 (4)	0.057 (5)
H313	0.594336	0.651829	0.956014	0.069*
C388	0.2713 (2)	−0.1852 (10)	0.2085 (4)	0.056 (4)
C375	0.2773 (2)	0.0792 (11)	0.2752 (5)	0.059 (4)
C322	0.5627 (3)	0.7765 (11)	0.6947 (4)	0.055 (4)
H322	0.550693	0.765586	0.688495	0.066*
C378	0.2754 (2)	−0.0179 (12)	0.2700 (4)	0.058 (4)
C380	0.2714 (2)	−0.1394 (11)	0.2391 (4)	0.052 (4)
C335	0.5043 (3)	0.9867 (13)	0.6035 (4)	0.065 (5)
H335	0.509473	1.021509	0.588853	0.078*
C337	0.4523 (3)	0.7204 (10)	0.6369 (3)	0.052 (4)
H337	0.455163	0.751338	0.657021	0.063*
C336	0.4869 (3)	0.9715 (14)	0.5977 (4)	0.071 (6)
H336	0.480342	0.995950	0.578471	0.086*
C397	0.1964 (3)	−0.0561 (13)	−0.0186 (5)	0.072 (6)
C351	0.4442 (3)	0.3493 (11)	0.5197 (3)	0.068 (6)
H351	0.449248	0.407222	0.521668	0.082*
C327	0.5649 (3)	1.1264 (11)	0.6240 (4)	0.061 (5)
C316	0.5993 (2)	0.7951 (11)	0.8626 (3)	0.053 (4)
C315	0.6034 (3)	0.8431 (11)	0.8360 (3)	0.065 (6)
H315	0.606156	0.904834	0.837920	0.078*
C370	0.3441 (3)	0.4448 (12)	0.3153 (5)	0.067 (5)
C3A	0.4515 (2)	0.6725 (10)	0.7269 (4)	0.057 (5)	0.8582
H3A	0.444253	0.628617	0.715040	0.068*	0.8582
C346	0.4365 (2)	0.3484 (10)	0.6901 (4)	0.053 (4)
H346	0.440219	0.408648	0.692817	0.063*
C318	0.5962 (3)	0.6658 (12)	0.8286 (4)	0.067 (5)
H318	0.592956	0.604735	0.825967	0.080*
C1A	0.4589 (3)	0.8268 (10)	0.7377 (4)	0.065 (5)	0.8582
H1AA	0.456603	0.888516	0.733832	0.078*	0.8582
C381	0.2633 (3)	−0.2017 (10)	0.3180 (4)	0.057 (4)
C314	0.6033 (3)	0.7973 (12)	0.8064 (3)	0.065 (5)
H314	0.605449	0.830752	0.788163	0.078*
N324	0.3086 (2)	0.4175 (11)	0.3019 (6)	0.099 (8)
C328	0.5819 (3)	1.1422 (12)	0.6297 (4)	0.061 (5)
H328	0.589450	1.101499	0.642533	0.074*
C333	0.5057 (3)	0.8983 (14)	0.6515 (5)	0.077 (6)
H333	0.512063	0.870271	0.670271	0.092*
C309	0.5958 (3)	0.7764 (10)	0.9766 (3)	0.056 (5)
C319	0.5963 (3)	0.8036 (12)	0.7144 (4)	0.064 (5)
H319	0.608304	0.814306	0.721340	0.077*
C393	0.2342 (3)	−0.1487 (15)	0.0266 (5)	0.076 (6)
C398	0.2179 (3)	0.0291 (12)	−0.0279 (4)	0.066 (5)
C4A	0.4654 (2)	0.6460 (8)	0.7509 (4)	0.055 (5)	0.8582
C332	0.4879 (3)	0.8881 (14)	0.6436 (5)	0.074 (6)
H332	0.482254	0.853573	0.657588	0.089*
C6A	0.4730 (3)	0.7999 (9)	0.7607 (4)	0.064 (5)	0.8582
H6A	0.480439	0.843958	0.771952	0.077*	0.8582
C385	0.2584 (3)	−0.2906 (12)	0.3144 (4)	0.066 (5)
H385	0.258398	−0.320914	0.294379	0.079*
C304	0.6069 (3)	1.1179 (11)	0.9066 (5)	0.072 (6)
H304	0.604380	1.098218	0.884637	0.086*
C399	0.1771 (3)	−0.0754 (14)	−0.0261 (6)	0.074 (5)
N335	0.2396 (4)	0.2598 (14)	−0.0650 (6)	0.099 (7)
C329	0.5884 (3)	1.2175 (12)	0.6170 (4)	0.066 (5)
H329	0.600530	1.225970	0.620825	0.079*
C366	0.3937 (2)	0.7370 (12)	0.2671 (5)	0.060 (4)
H366	0.387528	0.772600	0.250091	0.072*
C5A	0.4765 (2)	0.7102 (9)	0.7675 (4)	0.059 (5)	0.8582
C387	0.2759 (3)	−0.1420 (13)	0.1810 (5)	0.071 (5)
H387	0.279585	−0.081493	0.182608	0.085*
C396	0.2226 (3)	−0.0912 (13)	0.0041 (4)	0.064 (5)
C2A	0.4483 (2)	0.7625 (10)	0.7205 (4)	0.056 (5)	0.8582
H2A	0.438819	0.780157	0.704377	0.067*	0.8582
C360	0.3891 (2)	0.4112 (10)	0.3460 (4)	0.052 (4)
C350	0.4426 (3)	0.3028 (11)	0.4909 (4)	0.075 (6)
H350	0.446379	0.330414	0.472875	0.090*
C320	0.5875 (3)	0.8636 (12)	0.6942 (5)	0.070 (6)
H320	0.593142	0.914031	0.687123	0.083*
C390	0.2663 (3)	−0.3132 (14)	0.1735 (5)	0.070 (5)
H390	0.262845	−0.373972	0.170912	0.084*
C305	0.6094 (3)	1.2095 (11)	0.9137 (4)	0.060 (5)
H305	0.609120	1.250909	0.896367	0.072*
C384	0.2535 (3)	−0.3361 (13)	0.3417 (5)	0.075 (6)
H384	0.250372	−0.397476	0.340008	0.090*
C8A	0.4740 (3)	0.4929 (10)	0.7346 (5)	0.067 (6)	0.8582
C312	0.5911 (3)	0.6415 (12)	1.0033 (4)	0.061 (5)
H312	0.589924	0.578336	1.003046	0.073*
C395	0.2623 (3)	−0.2019 (15)	0.0500 (5)	0.075 (6)
H395	0.274335	−0.200495	0.049629	0.090*
C317	0.5962 (3)	0.7053 (12)	0.8584 (4)	0.068 (5)
H317	0.594112	0.670118	0.876256	0.081*
C302	0.6116 (3)	1.0920 (12)	0.9633 (4)	0.068 (5)
H302	0.612208	1.052880	0.981424	0.082*
C374	0.2783 (3)	0.1186 (13)	0.3061 (6)	0.085 (7)
H374	0.278175	0.081079	0.324429	0.102*
C406	0.2250 (4)	0.1095 (14)	−0.0398 (5)	0.079 (6)
C377	0.2796 (3)	0.2299 (13)	0.2565 (6)	0.075 (6)
H377	0.280234	0.270834	0.239350	0.090*
C311	0.5919 (4)	0.7729 (11)	1.0310 (4)	0.093 (9)
H311	0.591154	0.804413	1.050500	0.111*
C12A	0.4641 (3)	0.5102 (12)	0.7858 (5)	0.071 (6)	0.8582
C11A	0.4659 (3)	0.4184 (11)	0.7906 (6)	0.091 (8)	0.8582
H11A	0.462716	0.392183	0.809421	0.109*	0.8582
C376	0.2781 (3)	0.1348 (15)	0.2495 (6)	0.084 (6)
H376	0.277778	0.112270	0.228088	0.101*
C405	0.2418 (4)	0.1384 (15)	−0.0295 (5)	0.092 (8)
H405	0.248846	0.106378	−0.012486	0.111*
C394	0.2522 (3)	−0.1502 (15)	0.0282 (5)	0.078 (6)
H394	0.257210	−0.114192	0.013616	0.093*
C331	0.5542 (3)	1.1906 (13)	0.6056 (5)	0.073 (6)
H331	0.542055	1.184379	0.601904	0.088*
C386	0.2751 (4)	−0.1871 (14)	0.1517 (6)	0.090 (7)
H386	0.277978	−0.155078	0.133774	0.108*
C13A	0.4911 (3)	0.6816 (13)	0.7935 (5)	0.069 (6)	0.8582
H13A	0.486600	0.671027	0.813907	0.083*	0.8582
H13B	0.495714	0.624173	0.786986	0.083*	0.8582
C10A	0.4721 (3)	0.3648 (14)	0.7683 (6)	0.102 (9)	0.8582
H10A	0.473652	0.302644	0.772364	0.123*	0.8582
C310	0.5949 (4)	0.8215 (12)	1.0048 (5)	0.105 (10)
H310	0.596339	0.884458	1.006125	0.126*
C373	0.2794 (3)	0.2073 (13)	0.3107 (7)	0.094 (8)
H373	0.279816	0.230555	0.332001	0.112*
C372	0.3165 (3)	0.4712 (19)	0.2848 (9)	0.134 (15)
H372	0.309555	0.501775	0.267211	0.161*
C389	0.2665 (3)	−0.2762 (13)	0.2033 (5)	0.075 (6)
H389	0.263330	−0.310748	0.220520	0.089*
C9A	0.4762 (3)	0.4014 (11)	0.7401 (5)	0.084 (8)	0.8582
H9A	0.480552	0.364762	0.724749	0.101*	0.8582
C383	0.2587 (5)	−0.2099 (14)	0.3722 (8)	0.141 (15)
H383	0.259923	−0.183297	0.393203	0.169*
C403	0.1658 (4)	−0.0341 (19)	−0.0507 (8)	0.119 (11)
H403	0.170037	0.007368	−0.064648	0.142*
C14A	0.4843 (4)	0.4792 (19)	0.6844 (7)	0.092 (9)	0.8582
H14A	0.487680	0.517169	0.667409	0.138*	0.8582
H14B	0.475502	0.436512	0.674334	0.138*	0.8582
H14C	0.494380	0.446687	0.695675	0.138*	0.8582
C404	0.2488 (5)	0.2117 (18)	−0.0428 (7)	0.115 (11)
H404	0.260608	0.226610	−0.035519	0.138*
C368	0.3183 (3)	0.3728 (19)	0.3258 (8)	0.116 (11)
H368	0.312987	0.331599	0.338203	0.139*
C371	0.3332 (3)	0.4871 (19)	0.2896 (8)	0.117 (12)
H371	0.337869	0.527069	0.275656	0.140*
C359	0.4047 (4)	0.2512 (17)	0.4143 (6)	0.098 (8)
H359	0.400537	0.224295	0.432016	0.118*
C402	0.1494 (4)	−0.051 (2)	−0.0550 (8)	0.122 (12)
H402	0.142059	−0.019934	−0.071821	0.146*
C382	0.2628 (4)	−0.1603 (13)	0.3467 (5)	0.100 (9)
H382	0.265287	−0.098296	0.349296	0.120*
C330	0.5620 (4)	1.2640 (15)	0.5928 (6)	0.083 (7)
H330	0.554963	1.304449	0.578781	0.100*
C358	0.3934 (3)	0.3041 (17)	0.3932 (6)	0.092 (8)
H358	0.381624	0.309296	0.395424	0.110*
C15A	0.4532 (5)	0.534 (2)	0.8349 (7)	0.112 (11)	0.8582
H15A	0.441747	0.506850	0.828473	0.167*	0.8582
H15B	0.452499	0.582023	0.850630	0.167*	0.8582
H15C	0.461370	0.488608	0.844886	0.167*	0.8582
C401	0.1516 (3)	−0.149 (2)	−0.0135 (8)	0.122 (11)
H401	0.146294	−0.188330	−0.000382	0.146*
C408	0.2235 (5)	0.238 (2)	−0.0790 (7)	0.114 (10)
H408	0.217497	0.270599	−0.097097	0.137*
C369	0.3359 (3)	0.3844 (18)	0.3332 (7)	0.102 (10)
H369	0.342488	0.351244	0.350443	0.123*
C407	0.2158 (5)	0.163 (2)	−0.0647 (7)	0.124 (11)
H407	0.204099	0.148834	−0.072741	0.148*
C391	0.2397 (4)	−0.252 (2)	0.0727 (7)	0.128 (12)
H391	0.235433	−0.285505	0.088812	0.153*
C400	0.1689 (4)	−0.136 (2)	−0.0067 (10)	0.149 (16)
H400	0.175593	−0.166035	0.011128	0.179*
C392	0.2286 (4)	−0.201 (2)	0.0502 (7)	0.123 (12)
H392	0.216612	−0.202292	0.051115	0.148*
I410	0.4011 (3)	0.0221 (11)	0.7350 (3)	0.140 (6)	0.42 (4)
Zn45	0.4226 (2)	0.1460 (14)	0.7541 (4)	0.0581 (7)	0.42 (4)
I409	0.45201 (12)	0.1133 (6)	0.78747 (18)	0.098 (4)	0.42 (4)
I406	0.5902 (3)	0.5039 (7)	0.7657 (4)	0.108 (5)	0.31 (3)
Zn43	0.6045 (2)	0.6539 (10)	0.7606 (3)	0.102 (10)	0.31 (3)
I405	0.6363 (2)	0.6732 (17)	0.7606 (6)	0.121 (6)	0.31 (3)
I414	0.27150 (13)	0.4824 (5)	0.2355 (3)	0.165 (5)	0.41
Zn47	0.28246 (16)	0.4006 (7)	0.2884 (3)	0.111 (7)	0.41
I413	0.27173 (13)	0.4322 (6)	0.3409 (3)	0.152 (4)	0.41
I304	0.56702 (5)	0.4975 (2)	1.06637 (11)	0.0664 (14)	0.66 (2)
Zn32	0.58964 (8)	0.6187 (4)	1.07492 (14)	0.0482 (17)	0.66 (2)
I303	0.62119 (5)	0.6018 (2)	1.09944 (10)	0.0595 (13)	0.66 (2)
I418	0.2557 (3)	−0.4806 (6)	0.1066 (5)	0.136 (4)	0.54 (5)
Zn49	0.27179 (13)	−0.3345 (5)	0.10458 (18)	0.079 (6)	0.54 (5)
I417	0.30236 (12)	−0.3173 (17)	0.0955 (3)	0.122 (5)	0.54 (5)
I416	0.21051 (13)	−0.4427 (5)	0.3664 (3)	0.174 (6)	0.2584
Zn48	0.23730 (17)	−0.3700 (6)	0.3975 (3)	0.079 (4)	0.2584
I415	0.2622 (2)	−0.4481 (7)	0.4327 (2)	0.222 (9)	0.2584
I402	0.6027 (2)	1.4685 (8)	0.9031 (3)	0.067 (4)	0.357
Zn41	0.6153 (3)	1.3757 (7)	0.9531 (4)	0.062 (8)	0.357
I401	0.6056 (3)	1.3967 (10)	1.0077 (3)	0.078 (4)	0.357
I514	0.2708 (2)	0.4534 (13)	0.2143 (4)	0.080*	0.1021
I513	0.2682 (2)	0.4549 (12)	0.3183 (4)	0.080*	0.1021
Zn57	0.2804 (5)	0.402 (3)	0.2699 (9)	0.080*	0.1021
I502	0.6059 (3)	1.4522 (14)	0.8815 (5)	0.155 (9)	0.1553
I501	0.6053 (3)	1.4459 (17)	0.9866 (5)	0.195 (11)	0.1553
Zn51	0.6172 (8)	1.393 (3)	0.9383 (12)	0.18 (3)	0.1553
I515	0.2915 (4)	−0.404 (2)	0.4382 (8)	0.080*	0.049
I516	0.2392 (5)	−0.490 (2)	0.4030 (9)	0.080*	0.049
Zn58	0.2606 (5)	−0.365 (3)	0.4162 (19)	0.080*	0.049
I412	0.41954 (11)	0.0087 (5)	0.44357 (19)	0.090 (2)	0.5008
Zn46	0.43613 (11)	0.1540 (6)	0.4435 (2)	0.061 (4)	0.5008
I411	0.46669 (8)	0.1690 (8)	0.4318 (2)	0.095 (3)	0.5008
I512	0.4044 (5)	0.027 (3)	0.4454 (11)	0.080*	0.0428
I511	0.4577 (5)	0.100 (3)	0.4390 (10)	0.080*	0.0428
Zn56	0.4274 (6)	0.145 (4)	0.445 (3)	0.080*	0.0428
Zn44	0.45246 (17)	0.9057 (8)	0.6092 (3)	0.081 (7)	0.34 (5)
I408	0.44048 (10)	0.9706 (5)	0.5544 (2)	0.054 (3)	0.34 (5)
I407	0.4401 (3)	0.9580 (13)	0.6580 (3)	0.135 (9)	0.34 (5)
C4B	0.3234 (4)	0.274 (2)	0.4107 (9)	0.094 (9)	0.3866
O3B	0.3287 (6)	0.179 (3)	0.3557 (8)	0.119 (12)	0.3866
C6B	0.3476 (5)	0.371 (3)	0.4279 (13)	0.112 (12)	0.3866
H6B	0.359664	0.379158	0.434928	0.135*	0.3866
C2B	0.3187 (6)	0.432 (3)	0.4154 (13)	0.103 (11)	0.3866
H2B	0.311296	0.482224	0.412949	0.123*	0.3866
C5B	0.3411 (4)	0.285 (2)	0.4204 (6)	0.097 (9)	0.3866
C3B	0.3121 (5)	0.346 (3)	0.4097 (14)	0.105 (11)	0.3866
H3B	0.300012	0.336659	0.405105	0.126*	0.3866
C12B	0.3187 (7)	0.138 (2)	0.3751 (9)	0.113 (11)	0.3866
C11B	0.3127 (7)	0.052 (2)	0.3681 (11)	0.122 (13)	0.3866
H11B	0.314853	0.022086	0.349195	0.146*	0.3866
C1B	0.3365 (6)	0.443 (3)	0.4249 (14)	0.108 (12)	0.3866
H1B	0.341034	0.501065	0.429468	0.130*	0.3866
C7B	0.3160 (7)	0.182 (2)	0.4032 (9)	0.116 (10)	0.3866
C15B	0.3287 (13)	0.137 (6)	0.3247 (13)	0.14 (2)	0.3866
H15D	0.337780	0.091822	0.326964	0.204*	0.3866
H15E	0.330920	0.182619	0.308935	0.204*	0.3866
H15F	0.317504	0.109365	0.317025	0.204*	0.3866
C821	0.3136 (5)	0.643 (3)	0.7194 (8)	0.094 (12)	0.4084
H82A	0.305290	0.623887	0.733196	0.113*	0.4084
H82B	0.323829	0.668265	0.733943	0.113*	0.4084
C820	0.3192 (4)	0.562 (3)	0.7014 (9)	0.087 (11)	0.4084
H82C	0.328819	0.579421	0.690369	0.104*	0.4084
H82D	0.323402	0.514673	0.717389	0.104*	0.4084
C819	0.3044 (6)	0.525 (2)	0.6761 (10)	0.108 (14)	0.4084
H81A	0.295498	0.498936	0.687331	0.129*	0.4084
H81B	0.308834	0.476430	0.663616	0.129*	0.4084
C824	0.2962 (6)	0.598 (3)	0.6524 (8)	0.113 (14)	0.4084
H82E	0.304602	0.616807	0.638676	0.135*	0.4084
H82F	0.286018	0.572874	0.637871	0.135*	0.4084
C823	0.2907 (5)	0.679 (3)	0.6703 (11)	0.112 (14)	0.4084
H82G	0.286632	0.726689	0.654261	0.134*	0.4084
H82H	0.280957	0.662275	0.681103	0.134*	0.4084
C822	0.3054 (6)	0.716 (2)	0.6959 (11)	0.102 (13)	0.4084
H82I	0.300801	0.764040	0.708489	0.123*	0.4084
H82J	0.314258	0.743067	0.684872	0.123*	0.4084
C802	0.4985 (4)	0.256 (3)	0.6603 (7)	0.102 (12)	0.4732
H80A	0.500744	0.295513	0.679714	0.122*	0.4732
H80B	0.503516	0.196889	0.666747	0.122*	0.4732
C801	0.5076 (5)	0.295 (3)	0.6338 (9)	0.110 (12)	0.4732
H80C	0.520184	0.294809	0.641394	0.132*	0.4732
H80D	0.503908	0.358259	0.629584	0.132*	0.4732
C806	0.5031 (4)	0.242 (3)	0.6021 (8)	0.108 (12)	0.4732
H80E	0.508135	0.180873	0.605612	0.130*	0.4732
H80F	0.508359	0.270823	0.584894	0.130*	0.4732
C805	0.4835 (4)	0.234 (3)	0.5907 (7)	0.102 (11)	0.4732
H80G	0.478686	0.294336	0.585061	0.123*	0.4732
H80H	0.481123	0.196695	0.570834	0.123*	0.4732
C804	0.4747 (4)	0.193 (2)	0.6172 (8)	0.086 (10)	0.4732
H80I	0.462055	0.192336	0.609755	0.104*	0.4732
H80J	0.478605	0.130458	0.621295	0.104*	0.4732
C803	0.4790 (4)	0.247 (3)	0.6489 (8)	0.099 (11)	0.4732
H80K	0.473807	0.307020	0.645479	0.119*	0.4732
H80L	0.473960	0.216842	0.666172	0.119*	0.4732
C829	0.5100 (6)	0.639 (3)	0.6059 (11)	0.105 (14)	0.3759
H82K	0.511803	0.612046	0.627945	0.126*	0.3759
H82L	0.512718	0.703564	0.608556	0.126*	0.3759
C828	0.5224 (5)	0.596 (4)	0.5861 (14)	0.115 (15)	0.3759
H82M	0.534177	0.596068	0.599102	0.138*	0.3759
H82N	0.522543	0.631363	0.566149	0.138*	0.3759
C827	0.5172 (6)	0.499 (3)	0.5764 (16)	0.131 (16)	0.3759
H82O	0.518767	0.461262	0.596174	0.158*	0.3759
H82P	0.524855	0.475747	0.561881	0.158*	0.3759
C826	0.4984 (6)	0.494 (4)	0.5589 (14)	0.128 (16)	0.3759
H82Q	0.495280	0.430415	0.553768	0.153*	0.3759
H82R	0.497034	0.526907	0.538057	0.153*	0.3759
C825	0.4861 (5)	0.533 (4)	0.5801 (14)	0.119 (15)	0.3759
H82S	0.474133	0.531831	0.567713	0.143*	0.3759
H82T	0.486429	0.495292	0.599749	0.143*	0.3759
C830	0.4910 (5)	0.629 (3)	0.5904 (11)	0.102 (13)	0.3759
H83A	0.488482	0.668303	0.571103	0.122*	0.3759
H83B	0.483754	0.649025	0.606204	0.122*	0.3759
C808	0.3729 (6)	0.367 (3)	0.6902 (8)	0.115 (13)	0.459
H80M	0.364472	0.346404	0.703517	0.138*	0.459
H80N	0.383157	0.389908	0.705207	0.138*	0.459
C807	0.3783 (5)	0.288 (3)	0.6709 (10)	0.119 (13)	0.459
H80O	0.382532	0.238677	0.686132	0.142*	0.459
H80P	0.387869	0.306326	0.659862	0.142*	0.459
C812	0.3631 (5)	0.254 (2)	0.6453 (8)	0.090 (10)	0.459
H81C	0.367048	0.204672	0.632655	0.108*	0.459
H81D	0.353907	0.230857	0.656409	0.108*	0.459
C811	0.3560 (5)	0.331 (2)	0.6223 (6)	0.079 (9)	0.459
H81E	0.346061	0.308910	0.606262	0.095*	0.459
H81F	0.365004	0.350938	0.610095	0.095*	0.459
C810	0.3503 (5)	0.410 (2)	0.6413 (8)	0.088 (10)	0.459
H81G	0.346344	0.459380	0.626063	0.106*	0.459
H81H	0.340408	0.391259	0.651546	0.106*	0.459
C809	0.3649 (6)	0.443 (2)	0.6679 (10)	0.109 (13)	0.459
H80Q	0.373986	0.471025	0.657442	0.131*	0.459
H80R	0.360441	0.489414	0.681110	0.131*	0.459
C833	0.3666 (8)	0.015 (4)	0.3747 (12)	0.111 (16)	0.3228
H83C	0.369782	0.039672	0.396995	0.134*	0.3228
H83D	0.353834	0.017132	0.368650	0.134*	0.3228
C1O	0.3727 (8)	−0.082 (4)	0.3743 (12)	0.113 (16)	0.3228
H1OA	0.385101	−0.084797	0.383789	0.136*	0.3228
H1OB	0.366382	−0.118555	0.388145	0.136*	0.3228
C832	0.3698 (9)	−0.122 (3)	0.3399 (15)	0.119 (16)	0.3228
H83E	0.357330	−0.129746	0.332055	0.143*	0.3228
H83F	0.375364	−0.181127	0.340633	0.143*	0.3228
C831	0.3772 (9)	−0.062 (4)	0.3156 (13)	0.122 (17)	0.3228
H83G	0.373780	−0.086832	0.293400	0.147*	0.3228
H83H	0.389961	−0.063194	0.321071	0.147*	0.3228
C835	0.3709 (8)	0.035 (4)	0.3162 (12)	0.114 (16)	0.3228
H83I	0.358345	0.036761	0.307734	0.137*	0.3228
H83J	0.376743	0.071623	0.301755	0.137*	0.3228
C834	0.3745 (8)	0.073 (3)	0.3509 (15)	0.113 (16)	0.3228
H83K	0.369757	0.134475	0.350621	0.135*	0.3228
H83L	0.387153	0.077138	0.358409	0.135*	0.3228
C815	0.5234 (7)	0.273 (3)	0.5230 (12)	0.139 (16)	0.4474
H81I	0.525505	0.273491	0.547092	0.167*	0.4474
H81J	0.524786	0.335258	0.515497	0.167*	0.4474
C814	0.5366 (6)	0.212 (4)	0.5108 (13)	0.146 (16)	0.4474
H81K	0.535345	0.217599	0.486849	0.175*	0.4474
H81L	0.548389	0.231553	0.520559	0.175*	0.4474
C813	0.5341 (6)	0.114 (4)	0.5198 (15)	0.161 (17)	0.4474
H81M	0.542145	0.076240	0.510096	0.194*	0.4474
H81N	0.536963	0.107410	0.543787	0.194*	0.4474
C818	0.5156 (8)	0.082 (3)	0.5079 (13)	0.146 (16)	0.4474
H81O	0.514296	0.020588	0.516172	0.176*	0.4474
H81P	0.513314	0.079429	0.483823	0.176*	0.4474
C817	0.5024 (6)	0.144 (4)	0.5196 (13)	0.147 (16)	0.4474
H81Q	0.503528	0.139053	0.543524	0.176*	0.4474
H81R	0.490595	0.124058	0.509758	0.176*	0.4474
C816	0.5049 (6)	0.241 (3)	0.5102 (12)	0.136 (15)	0.4474
H81S	0.502365	0.247402	0.486137	0.164*	0.4474
H81T	0.496662	0.279793	0.519263	0.164*	0.4474
C10B	0.3033 (7)	0.011 (2)	0.3893 (12)	0.127 (14)	0.3866
H10B	0.298883	−0.047312	0.384534	0.152*	0.3866
C13B	0.3527 (6)	0.205 (3)	0.4224 (10)	0.115 (13)	0.3866
H13C	0.345862	0.150487	0.424544	0.138*	0.3866
H13D	0.357385	0.199871	0.401960	0.138*	0.3866
O2B	0.3059 (9)	0.178 (3)	0.4528 (10)	0.163 (16)	0.3866
C9B	0.3004 (7)	0.054 (3)	0.4173 (11)	0.129 (14)	0.3866
H9B	0.294125	0.025292	0.431756	0.155*	0.3866
O1B	0.3666 (6)	0.210 (4)	0.4492 (9)	0.16 (2)	0.3866
H1BA	0.369091	0.158229	0.456429	0.240*	0.3866
C8B	0.3068 (7)	0.139 (3)	0.4236 (9)	0.129 (12)	0.3866
C14B	0.2968 (16)	0.128 (7)	0.4742 (17)	0.21 (3)	0.3866
H14D	0.302432	0.137485	0.496854	0.317*	0.3866
H14E	0.296991	0.064391	0.468923	0.317*	0.3866
H14F	0.284862	0.148983	0.471302	0.317*	0.3866
C840	0.3125 (8)	0.799 (4)	0.3242 (15)	0.080*	0.2353
H84A	0.313125	0.824778	0.302578	0.096*	0.2353
H84B	0.304667	0.836515	0.334576	0.096*	0.2353
C839	0.3306 (7)	0.799 (4)	0.3455 (15)	0.080*	0.2353
H83M	0.334947	0.861426	0.348261	0.096*	0.2353
H83N	0.338634	0.764699	0.334494	0.096*	0.2353
C838	0.3300 (8)	0.758 (4)	0.3790 (12)	0.080*	0.2353
H83O	0.341757	0.757577	0.392291	0.096*	0.2353
H83P	0.322543	0.794752	0.390550	0.096*	0.2353
C837	0.3230 (8)	0.662 (4)	0.3751 (14)	0.080*	0.2353
H83Q	0.330926	0.624393	0.364979	0.096*	0.2353
H83R	0.322345	0.636826	0.396788	0.096*	0.2353
C836	0.3050 (7)	0.661 (4)	0.3537 (15)	0.080*	0.2353
H83S	0.296850	0.695072	0.364614	0.096*	0.2353
H83T	0.300780	0.598842	0.350744	0.096*	0.2353
C841	0.3055 (8)	0.703 (4)	0.3202 (12)	0.080*	0.2353
H84C	0.313028	0.666627	0.308575	0.096*	0.2353
H84D	0.293808	0.703575	0.306943	0.096*	0.2353

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I306	0.092 (3)	0.0297 (10)	0.0272 (16)	0.0045 (9)	0.0139 (12)	−0.0071 (8)
I309	0.076 (4)	0.077 (4)	0.088 (4)	0.037 (2)	0.046 (2)	0.050 (3)
I307	0.081 (4)	0.020 (2)	0.076 (2)	0.0067 (12)	0.022 (2)	−0.0009 (12)
I308	0.150 (6)	0.071 (4)	0.070 (3)	0.008 (3)	0.011 (3)	0.044 (3)
I310	0.122 (7)	0.0291 (19)	0.067 (3)	−0.021 (2)	0.046 (2)	−0.0130 (15)
I302	0.068 (2)	0.031 (2)	0.0433 (16)	−0.0008 (15)	0.0159 (15)	−0.0045 (12)
I403	0.233 (11)	0.129 (7)	0.099 (6)	0.094 (8)	0.099 (8)	0.064 (5)
I404	0.35 (2)	0.088 (7)	0.141 (10)	−0.020 (9)	0.143 (11)	−0.051 (6)
I301	0.117 (6)	0.030 (2)	0.0416 (15)	0.006 (2)	0.027 (2)	−0.0020 (13)
I305	0.073 (2)	0.077 (2)	0.0539 (16)	0.0130 (13)	0.0111 (12)	−0.0155 (14)
I312	0.366 (13)	0.030 (3)	0.0124 (15)	−0.050 (4)	0.042 (3)	−0.0072 (14)
I311	0.164 (7)	0.112 (4)	0.033 (2)	0.067 (4)	0.015 (3)	−0.018 (2)
I317	0.062 (4)	0.097 (5)	0.069 (4)	0.015 (2)	0.010 (3)	−0.020 (2)
I318	0.086 (8)	0.060 (3)	0.086 (4)	0.001 (2)	0.013 (2)	−0.009 (2)
I314	0.0450 (15)	0.0334 (13)	0.0739 (17)	0.0033 (11)	0.0075 (14)	0.0103 (12)
I313	0.098 (3)	0.0496 (18)	0.0635 (18)	−0.0119 (18)	0.036 (2)	−0.0027 (14)
I315	0.1164 (19)	0.0931 (17)	0.0809 (14)	0.0443 (15)	0.0425 (14)	0.0321 (12)
Zn35	0.116 (2)	0.0299 (10)	0.0385 (11)	0.0042 (13)	0.0404 (12)	0.0047 (8)
I316	0.159 (3)	0.0589 (13)	0.1054 (18)	−0.0270 (15)	0.0736 (19)	−0.0254 (12)
Zn33	0.065 (3)	0.034 (3)	0.035 (4)	0.011 (2)	0.011 (2)	−0.002 (2)
Zn34	0.075 (5)	0.013 (3)	0.059 (4)	−0.001 (3)	0.001 (3)	0.003 (3)
Zn42	0.24 (2)	0.088 (12)	0.037 (7)	0.054 (11)	0.076 (10)	0.034 (7)
Zn36	0.174 (11)	0.025 (7)	0.008 (4)	0.016 (6)	0.018 (6)	−0.009 (4)
Zn39	0.057 (7)	0.084 (12)	0.068 (11)	0.012 (6)	0.024 (6)	0.008 (7)
Zn31	0.068 (8)	0.033 (6)	0.043 (4)	−0.001 (5)	0.020 (4)	−0.005 (3)
Zn37	0.049 (4)	0.029 (3)	0.060 (3)	−0.007 (2)	0.014 (3)	0.002 (2)
Zn38	0.099 (3)	0.046 (2)	0.061 (2)	0.011 (2)	0.037 (2)	0.0089 (17)
N310	0.098 (12)	0.035 (7)	0.032 (6)	−0.006 (7)	0.030 (7)	−0.005 (5)
N316	0.089 (10)	0.024 (6)	0.022 (5)	−0.005 (6)	0.015 (5)	0.004 (4)
N314	0.078 (9)	0.027 (6)	0.023 (5)	−0.004 (6)	0.019 (5)	0.003 (4)
N304	0.100 (11)	0.029 (6)	0.032 (6)	0.014 (7)	0.024 (6)	0.008 (5)
N317	0.122 (13)	0.030 (6)	0.020 (5)	0.002 (7)	0.029 (6)	−0.001 (5)
N308	0.116 (13)	0.031 (6)	0.014 (5)	−0.008 (7)	0.012 (6)	−0.003 (5)
N328	0.072 (9)	0.035 (7)	0.055 (8)	0.000 (6)	0.019 (7)	0.014 (6)
N315	0.075 (9)	0.030 (6)	0.034 (6)	−0.001 (6)	0.024 (6)	0.004 (5)
N319	0.119 (14)	0.035 (7)	0.020 (5)	−0.003 (8)	0.019 (7)	0.000 (5)
N302	0.094 (11)	0.040 (7)	0.029 (6)	0.001 (7)	0.029 (6)	0.000 (5)
N313	0.086 (10)	0.030 (6)	0.043 (7)	−0.003 (6)	0.017 (7)	0.001 (5)
N323	0.088 (11)	0.029 (6)	0.035 (6)	0.008 (6)	0.025 (6)	0.003 (5)
N309	0.098 (11)	0.038 (7)	0.035 (6)	0.000 (7)	0.025 (7)	−0.011 (6)
N326	0.068 (9)	0.033 (7)	0.071 (9)	0.001 (6)	0.020 (7)	0.017 (7)
N321	0.080 (9)	0.037 (7)	0.037 (6)	0.011 (6)	0.024 (6)	0.018 (5)
N307	0.085 (10)	0.035 (7)	0.030 (6)	−0.002 (7)	0.021 (6)	0.006 (5)
N322	0.080 (10)	0.044 (7)	0.034 (6)	−0.003 (7)	0.012 (6)	−0.004 (5)
N305	0.131 (14)	0.030 (7)	0.040 (7)	0.021 (8)	0.021 (8)	0.007 (6)
N312	0.113 (12)	0.031 (7)	0.032 (6)	0.005 (7)	0.018 (7)	0.003 (5)
N318	0.131 (15)	0.034 (7)	0.036 (7)	0.004 (8)	0.005 (8)	0.006 (6)
N306	0.099 (11)	0.037 (7)	0.028 (6)	0.014 (7)	0.023 (6)	0.016 (5)
C352	0.087 (12)	0.021 (6)	0.027 (7)	−0.001 (7)	0.019 (7)	−0.003 (5)
C342	0.071 (11)	0.035 (8)	0.031 (7)	0.001 (7)	0.002 (7)	−0.004 (6)
C334	0.084 (12)	0.045 (8)	0.022 (6)	0.001 (8)	0.022 (7)	0.009 (6)
O2A	0.114 (13)	0.058 (9)	0.059 (9)	0.013 (9)	0.000 (9)	−0.020 (7)
N327	0.082 (10)	0.037 (7)	0.044 (7)	−0.007 (7)	0.023 (7)	0.003 (6)
N336	0.081 (10)	0.046 (8)	0.096 (12)	0.002 (7)	0.014 (8)	0.007 (7)
C361	0.063 (10)	0.041 (8)	0.034 (7)	0.005 (7)	0.018 (7)	0.006 (6)
N303	0.101 (12)	0.037 (7)	0.043 (7)	0.002 (7)	0.027 (7)	−0.001 (6)
N333	0.102 (13)	0.060 (10)	0.061 (9)	−0.003 (9)	0.022 (9)	0.018 (8)
O3A	0.086 (10)	0.048 (8)	0.073 (9)	−0.003 (7)	0.024 (8)	0.027 (7)
C326	0.113 (15)	0.033 (8)	0.023 (6)	0.004 (9)	0.026 (8)	−0.008 (6)
C303	0.078 (11)	0.037 (8)	0.036 (7)	−0.005 (8)	0.022 (7)	0.005 (6)
C321	0.091 (13)	0.037 (8)	0.039 (8)	−0.003 (8)	0.017 (8)	−0.013 (7)
C325	0.096 (14)	0.040 (9)	0.028 (7)	−0.002 (9)	0.019 (8)	−0.002 (6)
C324	0.082 (12)	0.034 (8)	0.019 (6)	−0.009 (8)	0.015 (6)	−0.004 (5)
C347	0.104 (14)	0.044 (9)	0.030 (7)	−0.002 (9)	0.018 (8)	−0.001 (7)
N301	0.083 (11)	0.035 (7)	0.079 (11)	−0.007 (7)	0.015 (8)	−0.010 (7)
N311	0.108 (13)	0.034 (7)	0.048 (8)	0.004 (8)	0.039 (8)	0.000 (6)
C344	0.090 (12)	0.032 (7)	0.019 (6)	0.004 (7)	0.021 (6)	−0.014 (5)
C343	0.078 (10)	0.033 (7)	0.016 (6)	−0.002 (7)	0.023 (6)	−0.001 (5)
O1A	0.099 (12)	0.071 (10)	0.058 (9)	−0.020 (9)	0.027 (8)	−0.035 (8)
C345	0.068 (10)	0.026 (7)	0.036 (7)	0.009 (7)	0.019 (7)	0.013 (6)
N330	0.099 (12)	0.044 (8)	0.063 (9)	0.011 (8)	0.026 (8)	0.009 (7)
C338	0.077 (11)	0.040 (8)	0.026 (6)	0.002 (7)	0.025 (7)	−0.002 (6)
C367	0.061 (10)	0.053 (10)	0.051 (9)	−0.002 (8)	0.020 (8)	0.005 (8)
C363	0.077 (11)	0.034 (8)	0.026 (6)	0.006 (7)	0.008 (7)	0.012 (6)
N334	0.101 (14)	0.050 (9)	0.072 (11)	0.002 (9)	0.019 (10)	0.010 (8)
C379	0.075 (11)	0.041 (9)	0.044 (8)	0.004 (8)	0.028 (8)	0.005 (7)
C364	0.073 (11)	0.038 (8)	0.037 (7)	0.001 (7)	0.021 (7)	0.006 (6)
C339	0.080 (11)	0.031 (7)	0.017 (6)	0.003 (7)	0.012 (6)	0.010 (5)
N320	0.075 (10)	0.048 (8)	0.047 (7)	0.000 (7)	0.010 (7)	0.007 (6)
C307	0.090 (12)	0.036 (8)	0.030 (7)	0.011 (8)	0.026 (7)	0.011 (6)
C348	0.108 (15)	0.029 (8)	0.044 (8)	−0.001 (8)	0.038 (9)	0.011 (6)
C355	0.101 (15)	0.051 (10)	0.042 (9)	0.006 (10)	0.027 (9)	−0.008 (8)
C7A	0.072 (12)	0.036 (9)	0.071 (12)	−0.003 (9)	0.018 (10)	−0.006 (9)
N325	0.090 (12)	0.049 (9)	0.080 (12)	−0.003 (8)	0.014 (9)	−0.004 (8)
C323	0.092 (14)	0.054 (10)	0.025 (7)	−0.002 (9)	0.030 (8)	0.003 (7)
C349	0.126 (16)	0.029 (7)	0.027 (7)	0.002 (9)	0.034 (8)	−0.012 (6)
N329	0.17 (2)	0.032 (8)	0.085 (12)	0.019 (10)	0.054 (13)	0.008 (8)
C306	0.096 (13)	0.040 (8)	0.027 (7)	0.010 (8)	0.022 (7)	0.008 (6)
N331	0.073 (11)	0.071 (11)	0.063 (9)	0.004 (8)	0.025 (8)	0.008 (8)
C340	0.113 (15)	0.039 (9)	0.031 (8)	−0.007 (9)	0.018 (8)	0.001 (7)
C357	0.075 (12)	0.041 (9)	0.042 (8)	−0.002 (8)	0.015 (8)	0.008 (7)
C308	0.101 (14)	0.031 (8)	0.049 (9)	0.016 (8)	0.019 (9)	0.017 (7)
C341	0.114 (15)	0.026 (7)	0.030 (7)	−0.007 (8)	0.008 (8)	0.006 (6)
C356	0.098 (14)	0.040 (9)	0.036 (8)	0.005 (9)	0.025 (8)	0.015 (7)
C365	0.098 (14)	0.032 (8)	0.036 (8)	0.009 (8)	0.016 (8)	−0.005 (6)
C362	0.073 (12)	0.047 (9)	0.047 (9)	−0.016 (8)	0.014 (8)	0.014 (7)
C301	0.115 (16)	0.043 (9)	0.035 (8)	−0.001 (10)	0.010 (9)	−0.004 (7)
C353	0.104 (13)	0.033 (8)	0.023 (6)	0.010 (8)	0.030 (7)	0.001 (6)
C354	0.112 (15)	0.035 (8)	0.026 (7)	−0.006 (9)	0.018 (8)	−0.007 (6)
N332	0.084 (12)	0.062 (10)	0.067 (10)	−0.001 (9)	0.019 (8)	0.015 (8)
C313	0.103 (14)	0.034 (8)	0.040 (8)	0.013 (9)	0.027 (8)	0.002 (7)
C388	0.080 (12)	0.032 (8)	0.060 (10)	0.008 (8)	0.025 (9)	0.014 (7)
C375	0.068 (11)	0.039 (9)	0.072 (12)	0.001 (8)	0.016 (9)	0.021 (8)
C322	0.086 (13)	0.044 (9)	0.038 (8)	−0.003 (8)	0.022 (8)	0.006 (7)
C378	0.071 (12)	0.054 (10)	0.047 (9)	0.005 (9)	0.010 (8)	−0.005 (8)
C380	0.069 (11)	0.046 (9)	0.044 (8)	0.014 (8)	0.016 (7)	−0.001 (7)
C335	0.077 (13)	0.070 (12)	0.049 (10)	−0.009 (10)	0.010 (9)	0.023 (9)
C337	0.109 (14)	0.030 (7)	0.020 (6)	0.000 (8)	0.017 (7)	−0.001 (5)
C336	0.111 (17)	0.069 (12)	0.039 (9)	0.008 (12)	0.025 (10)	0.016 (9)
C397	0.101 (16)	0.049 (11)	0.064 (12)	−0.002 (10)	0.009 (11)	0.005 (9)
C351	0.156 (19)	0.035 (8)	0.023 (7)	−0.007 (10)	0.041 (9)	−0.002 (6)
C327	0.115 (17)	0.032 (8)	0.045 (9)	−0.008 (9)	0.040 (10)	−0.015 (7)
C316	0.092 (13)	0.043 (9)	0.029 (7)	0.014 (8)	0.025 (7)	0.007 (6)
C315	0.143 (18)	0.034 (8)	0.024 (7)	0.004 (10)	0.033 (9)	−0.003 (6)
C370	0.085 (14)	0.043 (10)	0.071 (12)	−0.001 (9)	0.003 (10)	0.008 (9)
C3A	0.085 (13)	0.044 (10)	0.046 (10)	−0.001 (9)	0.024 (9)	0.007 (8)
C346	0.095 (13)	0.023 (7)	0.039 (8)	−0.007 (8)	0.009 (8)	−0.004 (6)
C318	0.121 (17)	0.038 (9)	0.044 (9)	0.005 (10)	0.019 (10)	0.005 (7)
C1A	0.110 (16)	0.039 (10)	0.053 (11)	0.012 (10)	0.039 (11)	0.011 (8)
C381	0.092 (13)	0.032 (8)	0.052 (9)	0.003 (8)	0.027 (9)	0.004 (7)
C314	0.129 (17)	0.055 (10)	0.021 (7)	0.008 (10)	0.042 (8)	0.014 (7)
N324	0.064 (11)	0.044 (9)	0.18 (2)	−0.017 (8)	−0.006 (12)	0.014 (12)
C328	0.093 (15)	0.046 (10)	0.042 (9)	−0.010 (9)	0.006 (9)	−0.002 (7)
C333	0.103 (17)	0.066 (13)	0.063 (12)	0.004 (12)	0.020 (11)	0.031 (10)
C309	0.117 (15)	0.038 (8)	0.018 (6)	0.015 (9)	0.031 (7)	0.018 (6)
C319	0.080 (13)	0.052 (10)	0.056 (10)	−0.015 (9)	−0.001 (9)	0.008 (8)
C393	0.094 (16)	0.084 (15)	0.058 (11)	0.004 (12)	0.039 (10)	0.031 (10)
C398	0.108 (17)	0.046 (10)	0.049 (10)	−0.008 (11)	0.029 (10)	−0.005 (8)
C4A	0.079 (12)	0.031 (9)	0.061 (10)	0.000 (8)	0.028 (9)	−0.002 (8)
C332	0.084 (15)	0.068 (13)	0.073 (13)	0.003 (11)	0.021 (11)	0.042 (11)
C6A	0.117 (16)	0.031 (9)	0.054 (10)	−0.018 (10)	0.039 (11)	−0.008 (8)
C385	0.105 (16)	0.044 (10)	0.052 (10)	−0.008 (10)	0.024 (10)	0.007 (8)
C304	0.133 (19)	0.032 (9)	0.053 (10)	−0.005 (10)	0.021 (11)	−0.019 (8)
C399	0.075 (11)	0.055 (11)	0.093 (14)	0.008 (9)	0.020 (9)	0.015 (9)
N335	0.17 (2)	0.063 (12)	0.078 (14)	0.001 (14)	0.069 (15)	−0.016 (11)
C329	0.112 (16)	0.047 (10)	0.042 (9)	−0.012 (10)	0.021 (9)	0.000 (8)
C366	0.065 (12)	0.049 (10)	0.070 (11)	0.002 (9)	0.018 (9)	0.014 (9)
C5A	0.091 (13)	0.032 (9)	0.060 (11)	−0.004 (9)	0.027 (10)	−0.003 (8)
C387	0.105 (16)	0.046 (10)	0.070 (12)	−0.005 (10)	0.039 (11)	0.006 (9)
C396	0.073 (13)	0.066 (12)	0.054 (10)	−0.007 (10)	0.016 (9)	0.016 (9)
C2A	0.087 (13)	0.039 (9)	0.046 (9)	0.013 (9)	0.025 (9)	0.014 (8)
C360	0.073 (12)	0.035 (8)	0.051 (9)	−0.008 (8)	0.018 (8)	0.004 (7)
C350	0.16 (2)	0.030 (8)	0.043 (9)	−0.007 (10)	0.032 (11)	−0.002 (7)
C320	0.098 (16)	0.038 (9)	0.063 (11)	−0.008 (10)	−0.010 (10)	0.005 (8)
C390	0.099 (15)	0.056 (11)	0.058 (11)	−0.007 (10)	0.023 (10)	0.015 (9)
C305	0.092 (14)	0.042 (9)	0.050 (9)	−0.005 (9)	0.026 (9)	0.002 (7)
C384	0.115 (18)	0.041 (10)	0.078 (13)	0.015 (10)	0.040 (12)	0.001 (9)
C8A	0.075 (13)	0.041 (10)	0.079 (13)	0.005 (9)	−0.003 (11)	−0.018 (10)
C312	0.115 (15)	0.044 (9)	0.027 (7)	0.010 (9)	0.022 (8)	0.009 (6)
C395	0.093 (15)	0.077 (14)	0.058 (11)	0.005 (12)	0.022 (10)	0.027 (10)
C317	0.109 (16)	0.045 (10)	0.049 (10)	−0.008 (10)	0.012 (10)	0.001 (8)
C302	0.125 (17)	0.045 (10)	0.037 (8)	0.008 (10)	0.020 (9)	−0.007 (7)
C374	0.14 (2)	0.045 (11)	0.079 (14)	−0.001 (12)	0.041 (14)	−0.018 (10)
C406	0.13 (2)	0.059 (12)	0.055 (11)	0.000 (13)	0.047 (12)	0.003 (9)
C377	0.070 (13)	0.051 (11)	0.110 (17)	−0.005 (9)	0.029 (12)	0.041 (12)
C311	0.22 (3)	0.029 (9)	0.037 (9)	0.006 (12)	0.055 (13)	−0.002 (7)
C12A	0.072 (13)	0.042 (10)	0.095 (14)	−0.007 (10)	0.005 (11)	0.009 (10)
C11A	0.093 (16)	0.043 (12)	0.121 (19)	−0.012 (11)	−0.023 (14)	0.038 (12)
C376	0.102 (18)	0.067 (14)	0.082 (15)	0.001 (12)	0.010 (13)	−0.001 (11)
C405	0.16 (3)	0.066 (14)	0.053 (11)	−0.036 (15)	0.034 (14)	−0.001 (10)
C394	0.096 (16)	0.077 (14)	0.066 (12)	0.002 (12)	0.029 (11)	0.014 (11)
C331	0.102 (16)	0.047 (10)	0.074 (13)	−0.006 (10)	0.024 (11)	0.018 (9)
C386	0.14 (2)	0.050 (12)	0.087 (16)	−0.012 (13)	0.054 (15)	−0.005 (11)
C13A	0.098 (16)	0.043 (11)	0.064 (12)	−0.019 (11)	0.009 (11)	0.009 (9)
C10A	0.102 (17)	0.034 (11)	0.15 (2)	0.007 (12)	−0.032 (17)	0.004 (14)
C310	0.25 (3)	0.035 (9)	0.045 (10)	0.001 (14)	0.077 (15)	0.004 (8)
C373	0.13 (2)	0.039 (10)	0.106 (18)	−0.016 (12)	0.016 (15)	0.031 (11)
C372	0.060 (15)	0.10 (2)	0.22 (4)	−0.007 (14)	−0.022 (18)	0.09 (2)
C389	0.096 (16)	0.051 (11)	0.078 (13)	0.003 (10)	0.020 (11)	−0.020 (10)
C9A	0.088 (15)	0.038 (11)	0.108 (17)	0.014 (11)	−0.031 (14)	−0.015 (11)
C383	0.30 (5)	0.033 (11)	0.12 (2)	−0.008 (18)	0.12 (3)	−0.004 (12)
C403	0.090 (11)	0.101 (19)	0.16 (2)	−0.007 (13)	0.002 (14)	0.080 (18)
C14A	0.085 (18)	0.091 (19)	0.11 (2)	0.008 (15)	0.034 (15)	−0.050 (16)
C404	0.21 (3)	0.070 (16)	0.082 (17)	−0.047 (19)	0.07 (2)	−0.022 (14)
C368	0.082 (17)	0.11 (2)	0.16 (3)	0.019 (15)	0.013 (17)	0.07 (2)
C371	0.078 (16)	0.11 (2)	0.15 (3)	−0.022 (15)	−0.005 (16)	0.09 (2)
C359	0.12 (2)	0.083 (16)	0.098 (18)	0.001 (15)	0.028 (15)	0.062 (15)
C402	0.086 (11)	0.13 (2)	0.14 (2)	−0.010 (14)	−0.005 (13)	0.077 (19)
C382	0.21 (3)	0.033 (10)	0.064 (13)	−0.012 (14)	0.053 (16)	−0.003 (9)
C330	0.11 (2)	0.063 (13)	0.078 (14)	0.005 (13)	0.030 (13)	0.030 (11)
C358	0.084 (15)	0.097 (18)	0.100 (17)	−0.003 (13)	0.030 (13)	0.051 (15)
C15A	0.13 (3)	0.10 (2)	0.11 (2)	−0.02 (2)	0.06 (2)	0.041 (19)
C401	0.080 (11)	0.11 (2)	0.17 (2)	0.006 (13)	0.020 (14)	0.088 (19)
C408	0.16 (3)	0.11 (2)	0.078 (17)	0.03 (2)	0.030 (19)	0.027 (16)
C369	0.062 (13)	0.11 (2)	0.13 (2)	−0.015 (13)	0.004 (13)	0.077 (18)
C407	0.18 (3)	0.10 (2)	0.11 (2)	0.01 (2)	0.07 (2)	0.051 (18)
C391	0.14 (3)	0.14 (3)	0.10 (2)	0.02 (2)	0.039 (18)	0.09 (2)
C400	0.079 (11)	0.16 (3)	0.21 (3)	0.000 (16)	0.008 (15)	0.13 (3)
C392	0.13 (2)	0.15 (3)	0.101 (19)	0.022 (19)	0.049 (17)	0.10 (2)
I410	0.341 (19)	0.047 (4)	0.057 (4)	−0.055 (6)	0.103 (7)	−0.026 (3)
Zn45	0.116 (2)	0.0299 (10)	0.0385 (11)	0.0042 (13)	0.0404 (12)	0.0047 (8)
I409	0.211 (13)	0.062 (5)	0.039 (3)	0.036 (4)	0.070 (4)	0.030 (3)
I406	0.219 (11)	0.051 (3)	0.042 (4)	−0.003 (4)	−0.009 (6)	−0.011 (3)
Zn43	0.23 (2)	0.051 (10)	0.034 (9)	0.009 (11)	0.045 (10)	0.013 (7)
I405	0.132 (9)	0.136 (11)	0.106 (10)	0.011 (7)	0.050 (7)	−0.022 (7)
I414	0.133 (6)	0.071 (5)	0.246 (12)	−0.035 (4)	−0.090 (7)	0.078 (6)
Zn47	0.100 (9)	0.041 (5)	0.165 (16)	0.004 (5)	−0.050 (9)	0.018 (8)
I413	0.123 (6)	0.087 (5)	0.220 (11)	0.033 (4)	−0.036 (6)	−0.072 (6)
I304	0.108 (3)	0.0225 (12)	0.0743 (18)	−0.0015 (10)	0.0301 (16)	−0.0029 (11)
Zn32	0.091 (4)	0.015 (2)	0.044 (3)	0.0079 (19)	0.029 (2)	0.0029 (18)
I303	0.095 (2)	0.0533 (15)	0.0368 (14)	0.0153 (13)	0.0288 (13)	0.0165 (10)
I418	0.264 (13)	0.049 (3)	0.093 (5)	−0.016 (4)	0.026 (5)	−0.014 (2)
Zn49	0.145 (13)	0.041 (6)	0.045 (7)	0.025 (6)	0.002 (6)	−0.008 (5)
I417	0.126 (7)	0.144 (9)	0.104 (5)	0.033 (4)	0.042 (4)	−0.020 (4)
I416	0.198 (9)	0.087 (5)	0.286 (14)	−0.073 (6)	0.179 (10)	−0.118 (7)
Zn48	0.151 (12)	0.037 (5)	0.070 (7)	0.024 (6)	0.076 (8)	0.011 (5)
I415	0.42 (2)	0.182 (9)	0.107 (6)	0.237 (13)	0.155 (9)	0.109 (7)
I402	0.074 (5)	0.024 (3)	0.097 (9)	0.005 (2)	−0.001 (6)	0.013 (5)
Zn41	0.076 (13)	0.013 (7)	0.093 (15)	−0.001 (7)	0.001 (10)	0.010 (7)
I401	0.092 (5)	0.038 (5)	0.102 (9)	−0.008 (4)	0.014 (6)	−0.027 (5)
I502	0.22 (2)	0.153 (16)	0.120 (12)	0.017 (13)	0.105 (14)	0.014 (11)
I501	0.28 (3)	0.192 (19)	0.148 (15)	0.065 (18)	0.136 (17)	0.081 (15)
Zn51	0.28 (6)	0.12 (3)	0.18 (5)	0.03 (3)	0.14 (4)	0.06 (3)
I412	0.178 (6)	0.040 (3)	0.053 (4)	−0.004 (3)	0.018 (3)	−0.004 (2)
Zn46	0.090 (6)	0.040 (7)	0.049 (7)	0.019 (5)	0.004 (5)	0.004 (5)
I411	0.075 (3)	0.148 (7)	0.061 (4)	0.022 (3)	0.009 (2)	−0.043 (4)
Zn44	0.141 (17)	0.066 (13)	0.045 (8)	0.018 (11)	0.044 (9)	0.020 (7)
I408	0.063 (5)	0.017 (4)	0.073 (5)	−0.007 (2)	−0.015 (3)	0.011 (3)
I407	0.24 (2)	0.101 (10)	0.087 (6)	0.037 (8)	0.098 (10)	0.019 (5)
C4B	0.14 (2)	0.124 (18)	0.036 (15)	0.018 (15)	0.062 (16)	0.023 (15)
O3B	0.18 (3)	0.11 (2)	0.063 (18)	0.02 (2)	0.035 (19)	0.038 (18)
C6B	0.13 (2)	0.14 (2)	0.07 (2)	0.018 (17)	0.06 (2)	0.00 (2)
C2B	0.13 (2)	0.119 (19)	0.08 (2)	0.01 (2)	0.07 (2)	0.03 (2)
C5B	0.14 (2)	0.13 (2)	0.037 (16)	0.021 (16)	0.063 (16)	0.008 (17)
C3B	0.13 (2)	0.12 (2)	0.08 (2)	0.013 (18)	0.05 (2)	0.02 (2)
C12B	0.16 (3)	0.11 (2)	0.068 (17)	0.01 (2)	0.023 (18)	0.032 (15)
C11B	0.14 (3)	0.11 (2)	0.11 (3)	0.02 (2)	0.01 (2)	0.029 (18)
C1B	0.13 (3)	0.13 (2)	0.08 (2)	0.01 (2)	0.07 (2)	0.01 (2)
C7B	0.16 (2)	0.120 (19)	0.072 (17)	0.014 (18)	0.038 (17)	0.036 (15)
C15B	0.19 (6)	0.15 (5)	0.08 (2)	0.01 (5)	0.04 (3)	0.01 (3)
C821	0.06 (2)	0.14 (3)	0.09 (2)	−0.03 (2)	0.022 (16)	−0.071 (19)
C820	0.06 (2)	0.14 (3)	0.066 (19)	−0.033 (19)	0.021 (15)	−0.063 (19)
C819	0.11 (3)	0.14 (3)	0.07 (2)	−0.05 (2)	0.00 (2)	−0.056 (19)
C824	0.10 (3)	0.15 (3)	0.08 (2)	−0.05 (2)	−0.001 (19)	−0.042 (19)
C823	0.09 (3)	0.15 (3)	0.09 (2)	−0.04 (2)	0.017 (19)	−0.03 (2)
C822	0.08 (2)	0.14 (3)	0.09 (2)	−0.02 (2)	0.035 (18)	−0.06 (2)
C802	0.11 (2)	0.09 (2)	0.09 (2)	0.045 (19)	−0.025 (16)	−0.054 (19)
C801	0.11 (2)	0.10 (2)	0.10 (2)	0.04 (2)	−0.023 (17)	−0.047 (19)
C806	0.12 (2)	0.10 (3)	0.09 (2)	0.03 (2)	−0.022 (17)	−0.034 (19)
C805	0.12 (2)	0.08 (2)	0.092 (19)	0.034 (19)	−0.026 (16)	−0.027 (18)
C804	0.10 (2)	0.057 (19)	0.085 (19)	0.054 (16)	−0.026 (15)	−0.036 (15)
C803	0.11 (2)	0.08 (2)	0.097 (19)	0.041 (18)	−0.029 (16)	−0.050 (17)
C829	0.12 (3)	0.13 (3)	0.09 (3)	0.05 (3)	0.08 (2)	0.04 (2)
C828	0.12 (3)	0.14 (3)	0.10 (3)	0.05 (3)	0.08 (2)	0.01 (3)
C827	0.13 (3)	0.14 (3)	0.14 (3)	0.05 (3)	0.07 (3)	0.01 (3)
C826	0.13 (3)	0.14 (3)	0.14 (3)	0.05 (3)	0.07 (3)	0.01 (3)
C825	0.13 (3)	0.13 (3)	0.12 (3)	0.05 (3)	0.07 (2)	0.03 (3)
C830	0.12 (2)	0.13 (3)	0.08 (3)	0.05 (3)	0.08 (2)	0.05 (2)
C808	0.12 (3)	0.14 (3)	0.07 (2)	−0.04 (2)	−0.008 (19)	0.003 (17)
C807	0.12 (3)	0.15 (3)	0.08 (2)	−0.02 (2)	0.006 (18)	0.02 (2)
C812	0.10 (2)	0.13 (2)	0.050 (16)	−0.014 (19)	0.037 (15)	0.008 (15)
C811	0.09 (2)	0.11 (2)	0.038 (14)	−0.026 (19)	0.034 (13)	0.000 (13)
C810	0.10 (2)	0.12 (2)	0.052 (17)	−0.026 (19)	0.018 (14)	−0.015 (16)
C809	0.13 (3)	0.12 (3)	0.07 (2)	−0.05 (2)	−0.001 (19)	−0.008 (16)
C833	0.08 (3)	0.15 (4)	0.11 (3)	0.03 (3)	0.04 (3)	0.04 (3)
C1O	0.08 (3)	0.15 (4)	0.11 (3)	0.04 (3)	0.02 (3)	0.03 (3)
C832	0.09 (3)	0.16 (4)	0.11 (3)	0.03 (3)	0.03 (3)	0.03 (3)
C831	0.10 (3)	0.16 (4)	0.11 (3)	0.02 (3)	0.04 (3)	0.03 (3)
C835	0.07 (3)	0.16 (4)	0.12 (3)	0.01 (3)	0.06 (3)	0.03 (3)
C834	0.08 (3)	0.15 (4)	0.12 (3)	0.03 (3)	0.05 (3)	0.03 (3)
C815	0.18 (4)	0.18 (4)	0.05 (2)	0.01 (3)	0.01 (2)	−0.01 (3)
C814	0.19 (4)	0.18 (4)	0.06 (2)	0.02 (3)	0.02 (2)	0.00 (3)
C813	0.21 (4)	0.18 (4)	0.09 (3)	0.02 (3)	0.02 (3)	0.00 (3)
C818	0.22 (4)	0.16 (4)	0.06 (3)	0.02 (3)	0.02 (3)	0.00 (3)
C817	0.21 (4)	0.16 (4)	0.07 (3)	0.01 (3)	0.01 (3)	0.00 (3)
C816	0.19 (4)	0.16 (3)	0.05 (2)	0.02 (3)	−0.01 (2)	0.00 (2)
C10B	0.13 (3)	0.11 (3)	0.13 (3)	0.02 (2)	0.01 (3)	0.04 (2)
C13B	0.16 (3)	0.15 (3)	0.044 (18)	0.04 (2)	0.043 (19)	−0.01 (2)
O2B	0.23 (4)	0.17 (3)	0.11 (2)	0.00 (3)	0.08 (2)	0.03 (2)
C9B	0.13 (3)	0.12 (2)	0.13 (3)	0.02 (2)	0.03 (3)	0.05 (2)
O1B	0.18 (3)	0.26 (6)	0.043 (18)	0.05 (3)	0.03 (2)	0.04 (3)
C8B	0.17 (3)	0.13 (2)	0.10 (2)	0.01 (2)	0.05 (2)	0.044 (19)
C14B	0.26 (7)	0.27 (7)	0.13 (4)	0.00 (6)	0.09 (4)	0.07 (5)

Geometric parameters (Å, º)

I306—Zn33	2.546 (6)	C2A—H2A	0.9500
I309—Zn35	2.535 (9)	C350—H350	0.9500
I307—Zn34	2.521 (6)	C320—H320	0.9500
I308—Zn34	2.537 (6)	C390—H390	0.9500
I310—Zn35	2.544 (9)	C390—C389	1.36 (3)
I302—Zn31	2.557 (11)	C305—H305	0.9500
I403—Zn42	2.531 (14)	C384—H384	0.9500
I404—Zn42	2.535 (15)	C8A—C9A	1.395 (15)
I301—Zn31	2.540 (10)	C312—H312	0.9500
I305—Zn33	2.527 (5)	C395—H395	0.9500
I312—Zn36	2.522 (9)	C395—C394	1.34 (3)
I311—Zn36	2.538 (11)	C317—H317	0.9500
I317—Zn39	2.517 (8)	C302—H302	0.9500
I318—Zn39	2.546 (10)	C374—H374	0.9500
I314—Zn37	2.557 (8)	C374—C373	1.34 (3)
I313—Zn37	2.537 (8)	C406—C405	1.39 (3)
I315—Zn38	2.531 (6)	C406—C407	1.40 (4)
Zn35—N317	2.060 (15)	C377—H377	0.9500
Zn35—N323^i	2.07 (2)	C377—C376	1.45 (3)
I316—Zn38	2.518 (6)	C311—H311	0.9500
Zn33—N307	2.067 (14)	C311—C310	1.37 (2)
Zn33—N306	2.054 (13)	C12A—C11A	1.393 (15)
Zn34—N313	2.087 (13)	C11A—H11A	0.9500
Zn34—N312	2.048 (18)	C11A—C10A	1.383 (16)
Zn42—N305	2.087 (17)	C376—H376	0.9500
Zn42—N311^ii	1.95 (2)	C405—H405	0.9500
Zn36—N319	2.057 (17)	C405—C404	1.39 (3)
Zn36—N318	2.032 (16)	C394—H394	0.9500
Zn39—N330	2.066 (19)	C331—H331	0.9500
Zn39—N331	2.037 (19)	C331—C330	1.41 (3)
Zn31—N336^iii	2.10 (3)	C386—H386	0.9500
Zn31—N301	2.083 (17)	C13A—H13A	0.9900
Zn37—N325	2.136 (18)	C13A—H13B	0.9900
Zn37—N324	2.073 (19)	C10A—H10A	0.9500
Zn38—N329	2.160 (18)	C10A—C9A	1.387 (16)
Zn38—N335^iv	2.10 (2)	C310—H310	0.9500
N310—C326	1.35 (2)	C373—H373	0.9500
N310—C325	1.28 (2)	C372—H372	0.9500
N316—C344	1.367 (18)	C372—C371	1.32 (3)
N316—C343	1.316 (17)	C389—H389	0.9500
N314—C342	1.315 (18)	C9A—H9A	0.9500
N314—C344	1.291 (19)	C383—H383	0.9500
N304—C307	1.299 (19)	C383—C382	1.38 (3)
N304—C308	1.37 (2)	C403—H403	0.9500
N317—C347	1.33 (2)	C403—C402	1.30 (4)
N317—C348	1.36 (2)	C14A—H14A	0.9800
N317—Zn45	2.060 (17)	C14A—H14B	0.9800
N308—C326	1.34 (2)	C14A—H14C	0.9800
N308—C324	1.30 (2)	C404—H404	0.9500
N328—C379	1.27 (2)	C368—H368	0.9500
N328—C380	1.38 (2)	C368—C369	1.38 (3)
N315—C342	1.389 (19)	C371—H371	0.9500
N315—C343	1.311 (18)	C359—H359	0.9500
N319—C355	1.31 (2)	C359—C358	1.38 (3)
N319—C359	1.36 (3)	C402—H402	0.9500
N319—Zn46	2.020 (16)	C382—H382	0.9500
N319—Zn56	1.96 (9)	C330—H330	0.9500
N302—C306	1.341 (19)	C358—H358	0.9500
N302—C308	1.31 (2)	C15A—H15A	0.9800
N313—C341	1.37 (2)	C15A—H15B	0.9800
N313—C337	1.329 (19)	C15A—H15C	0.9800
N313—Zn44	2.053 (17)	C401—H401	0.9500
N323—C365	1.35 (2)	C401—C400	1.35 (4)
N323—C366	1.34 (2)	C408—H408	0.9500
N309—C325	1.38 (2)	C408—C407	1.46 (4)
N309—C324	1.35 (2)	C408—Zn48^vii	2.53 (4)
N326—C378	1.30 (2)	C369—H369	0.9500
N326—C380	1.32 (2)	C407—H407	0.9500
N321—C361	1.36 (2)	C391—H391	0.9500
N321—C360	1.31 (2)	C391—C392	1.39 (3)
N307—C323	1.36 (2)	C400—H400	0.9500
N307—C319	1.31 (2)	C392—H392	0.9500
N307—Zn43	2.058 (18)	I410—Zn45	2.544 (13)
N322—C361	1.30 (2)	Zn45—I409	2.535 (12)
N322—C362	1.36 (2)	I406—Zn43	2.541 (14)
N305—C312	1.35 (2)	Zn43—I405	2.519 (14)
N305—C311	1.31 (2)	I414—Zn47	2.538 (12)
N305—Zn32	2.092 (14)	Zn47—I413	2.526 (14)
N312—C336	1.34 (2)	I304—Zn32	2.525 (5)
N312—C332	1.32 (2)	Zn32—I303	2.529 (6)
N312—Zn44	2.05 (2)	I418—Zn49	2.535 (9)
N318—C354	1.34 (2)	Zn49—I417	2.518 (10)
N318—C350	1.33 (2)	I416—Zn48	2.521 (15)
N318—Zn46	2.076 (16)	Zn48—I415	2.524 (14)
N318—Zn56	2.09 (9)	I402—Zn41	2.556 (13)
N306—C318	1.37 (2)	Zn41—I401	2.546 (15)
N306—C314	1.32 (2)	I514—Zn57	2.43 (4)
N306—Zn43	2.021 (18)	I513—Zn57	2.51 (4)
C352—C344	1.487 (17)	I502—Zn51	2.53 (5)
C352—C353	1.36 (2)	I501—Zn51	2.50 (5)
C352—C351	1.40 (2)	I515—Zn58	2.52 (2)
C342—C339	1.49 (2)	I516—Zn58	2.52 (2)
C334—C326	1.49 (3)	I412—Zn46	2.538 (9)
C334—C335	1.39 (2)	Zn46—I411	2.551 (9)
C334—C333	1.39 (2)	I512—Zn56	2.528 (18)
O2A—C8A	1.370 (17)	I511—Zn56	2.539 (18)
O2A—C14A	1.421 (19)	Zn44—I408	2.508 (11)
N327—C379	1.32 (2)	Zn44—I407	2.532 (11)
N327—C378	1.40 (2)	C4B—C5B	1.394 (19)
N336—C402	1.28 (3)	C4B—C3B	1.390 (19)
N336—C401	1.32 (3)	C4B—C7B	1.506 (19)
N336—Zn41^v	2.10 (3)	O3B—C12B	1.37 (2)
N336—Zn51^v	2.04 (7)	O3B—C15B	1.43 (2)
C361—C363	1.49 (2)	C6B—H6B	0.9500
N303—C307	1.33 (2)	C6B—C5B	1.390 (19)
N303—C306	1.369 (19)	C6B—C1B	1.385 (19)
N333—C398	1.36 (3)	C2B—H2B	0.9500
N333—C396	1.31 (2)	C2B—C3B	1.392 (19)
O3A—C12A	1.38 (3)	C2B—C1B	1.394 (19)
O3A—C15A	1.421 (19)	C5B—C13B	1.51 (2)
C303—C306	1.46 (2)	C3B—H3B	0.9500
C303—C304	1.36 (2)	C12B—C11B	1.383 (19)
C303—C302	1.41 (2)	C12B—C7B	1.394 (18)
C321—C324	1.48 (2)	C11B—H11B	0.9500
C321—C322	1.37 (2)	C11B—C10B	1.391 (19)
C321—C320	1.39 (3)	C1B—H1B	0.9500
C325—C327	1.48 (2)	C7B—C8B	1.372 (18)
C347—H347	0.9500	C15B—H15D	0.9800
C347—C346	1.38 (2)	C15B—H15E	0.9800
N301—C301	1.30 (2)	C15B—H15F	0.9800
N301—C305	1.35 (2)	C821—H82A	0.9900
N301—Zn41	2.080 (18)	C821—H82B	0.9900
N301—Zn51	2.37 (5)	C821—C820	1.534 (13)
N311—C329	1.32 (2)	C821—C822	1.534 (13)
N311—C330	1.31 (3)	C820—H82C	0.9900
N311—Zn32^vi	2.131 (16)	C820—H82D	0.9900
C343—C345	1.517 (17)	C820—C819	1.533 (13)
O1A—H1A	0.8400	C819—H81A	0.9900
O1A—C13A	1.416 (18)	C819—H81B	0.9900
C345—C349	1.37 (2)	C819—C824	1.535 (13)
C345—C346	1.37 (2)	C824—H82E	0.9900
N330—C390	1.35 (2)	C824—H82F	0.9900
N330—C386	1.33 (3)	C824—C823	1.533 (13)
N330—Zn49	2.026 (18)	C823—H82G	0.9900
C338—H338	0.9500	C823—H82H	0.9900
C338—C339	1.406 (19)	C823—C822	1.532 (13)
C338—C337	1.35 (2)	C822—H82I	0.9900
C367—H367	0.9500	C822—H82J	0.9900
C367—C363	1.39 (2)	C802—H80A	0.9900
C367—C366	1.38 (2)	C802—H80B	0.9900
C363—C364	1.39 (2)	C802—C801	1.532 (13)
N334—C397	1.32 (3)	C802—C803	1.534 (13)
N334—C398	1.29 (3)	C801—H80C	0.9900
C379—C381	1.48 (2)	C801—H80D	0.9900
C364—H364	0.9500	C801—C806	1.535 (13)
C364—C365	1.35 (2)	C806—H80E	0.9900
C339—C340	1.391 (19)	C806—H80F	0.9900
N320—C362	1.30 (2)	C806—C805	1.540 (13)
N320—C360	1.34 (2)	C805—H80G	0.9900
C307—C309	1.510 (18)	C805—H80H	0.9900
C348—H348	0.9500	C805—C804	1.538 (13)
C348—C349	1.36 (2)	C804—H80I	0.9900
C355—H355	0.9500	C804—H80J	0.9900
C355—C356	1.36 (2)	C804—C803	1.535 (13)
C7A—C4A	1.510 (15)	C803—H80K	0.9900
C7A—C8A	1.388 (15)	C803—H80L	0.9900
C7A—C12A	1.396 (15)	C829—H82K	0.9900
N325—C377	1.37 (3)	C829—H82L	0.9900
N325—C373	1.27 (3)	C829—C828	1.535 (13)
N325—Zn47	2.099 (19)	C829—C830	1.528 (13)
N325—Zn57	2.24 (5)	C828—H82M	0.9900
C323—H323	0.9500	C828—H82N	0.9900
C323—C322	1.36 (2)	C828—C827	1.537 (13)
C349—H349	0.9500	C827—H82O	0.9900
N329—C384	1.29 (3)	C827—H82P	0.9900
N329—C383	1.32 (3)	C827—C826	1.539 (13)
N329—Zn48	2.21 (2)	C826—H82Q	0.9900
N329—Zn58	2.25 (7)	C826—H82R	0.9900
N331—C395	1.29 (2)	C826—C825	1.540 (13)
N331—C391	1.39 (3)	C825—H82S	0.9900
N331—Zn49	2.037 (18)	C825—H82T	0.9900
C340—H340	0.9500	C825—C830	1.533 (13)
C340—C341	1.37 (2)	C830—H83A	0.9900
C357—C356	1.39 (3)	C830—H83B	0.9900
C357—C360	1.47 (2)	C808—H80M	0.9900
C357—C358	1.39 (3)	C808—H80N	0.9900
C308—C316	1.48 (2)	C808—C807	1.534 (13)
C341—H341	0.9500	C808—C809	1.534 (13)
C356—H356	0.9500	C807—H80O	0.9900
C365—H365	0.9500	C807—H80P	0.9900
C362—C370	1.47 (3)	C807—C812	1.541 (13)
C301—H301	0.9500	C812—H81C	0.9900
C301—C302	1.36 (2)	C812—H81D	0.9900
C353—H353	0.9500	C812—C811	1.539 (13)
C353—C354	1.393 (19)	C811—H81E	0.9900
C354—H354	0.9500	C811—H81F	0.9900
N332—C397	1.30 (2)	C811—C810	1.539 (13)
N332—C396	1.32 (2)	C810—H81G	0.9900
C313—H313	0.9500	C810—H81H	0.9900
C313—C309	1.39 (2)	C810—C809	1.536 (13)
C313—C312	1.38 (2)	C809—H80Q	0.9900
C388—C380	1.45 (2)	C809—H80R	0.9900
C388—C387	1.42 (2)	C833—H83C	0.9900
C388—C389	1.42 (3)	C833—H83D	0.9900
C375—C378	1.47 (2)	C833—C1O	1.534 (13)
C375—C374	1.41 (3)	C833—C834	1.537 (13)
C375—C376	1.37 (3)	C1O—H1OA	0.9900
C322—H322	0.9500	C1O—H1OB	0.9900
C335—H335	0.9500	C1O—C832	1.534 (13)
C335—C336	1.36 (3)	C832—H83E	0.9900
C337—H337	0.9500	C832—H83F	0.9900
C336—H336	0.9500	C832—C831	1.534 (13)
C397—C399	1.53 (3)	C831—H83G	0.9900
C351—H351	0.9500	C831—H83H	0.9900
C351—C350	1.38 (2)	C831—C835	1.535 (13)
C327—C328	1.33 (3)	C835—H83I	0.9900
C327—C331	1.41 (3)	C835—H83J	0.9900
C316—C315	1.41 (2)	C835—C834	1.537 (13)
C316—C317	1.37 (2)	C834—H83K	0.9900
C315—H315	0.9500	C834—H83L	0.9900
C315—C314	1.41 (2)	C815—H81I	0.9900
C370—C371	1.40 (3)	C815—H81J	0.9900
C370—C369	1.40 (3)	C815—C814	1.539 (13)
C3A—H3A	0.9500	C815—C816	1.538 (13)
C3A—C4A	1.402 (16)	C814—H81K	0.9900
C3A—C2A	1.389 (15)	C814—H81L	0.9900
C346—H346	0.9500	C814—C813	1.536 (13)
C318—H318	0.9500	C813—H81M	0.9900
C318—C317	1.37 (3)	C813—H81N	0.9900
C1A—H1AA	0.9500	C813—C818	1.534 (13)
C1A—C6A	1.390 (16)	C818—H81O	0.9900
C1A—C2A	1.389 (16)	C818—H81P	0.9900
C381—C385	1.39 (2)	C818—C817	1.536 (13)
C381—C382	1.36 (3)	C817—H81Q	0.9900
C314—H314	0.9500	C817—H81R	0.9900
N324—C372	1.31 (3)	C817—C816	1.538 (13)
N324—C368	1.33 (3)	C816—H81S	0.9900
N324—Zn47	2.05 (2)	C816—H81T	0.9900
N324—Zn57	2.39 (4)	C10B—H10B	0.9500
C328—H328	0.9500	C10B—C9B	1.385 (19)
C328—C329	1.38 (3)	C13B—H13C	0.9900
C333—H333	0.9500	C13B—H13D	0.9900
C333—C332	1.39 (3)	C13B—O1B	1.42 (2)
C309—C310	1.37 (2)	O2B—C8B	1.36 (2)
C319—H319	0.9500	O2B—C14B	1.45 (2)
C319—C320	1.34 (3)	C9B—H9B	0.9500
C393—C396	1.46 (3)	C9B—C8B	1.380 (19)
C393—C394	1.41 (3)	O1B—H1BA	0.8400
C393—C392	1.39 (3)	C14B—H14D	0.9800
C398—C406	1.45 (3)	C14B—H14E	0.9800
C4A—C5A	1.397 (15)	C14B—H14F	0.9800
C332—H332	0.9500	C840—H84A	0.9900
C6A—H6A	0.9500	C840—H84B	0.9900
C6A—C5A	1.390 (15)	C840—C839	1.538 (13)
C385—H385	0.9500	C840—C841	1.539 (13)
C385—C384	1.44 (3)	C839—H83M	0.9900
C304—H304	0.9500	C839—H83N	0.9900
C304—C305	1.41 (2)	C839—C838	1.538 (14)
C399—C403	1.38 (3)	C838—H83O	0.9900
C399—C400	1.44 (3)	C838—H83P	0.9900
N335—C404	1.29 (4)	C838—C837	1.539 (13)
N335—C408	1.34 (4)	C837—H83Q	0.9900
N335—Zn48^vii	2.26 (3)	C837—H83R	0.9900
N335—Zn58^vii	2.51 (6)	C837—C836	1.538 (13)
C329—H329	0.9500	C836—H83S	0.9900
C366—H366	0.9500	C836—H83T	0.9900
C5A—C13A	1.500 (16)	C836—C841	1.539 (14)
C387—H387	0.9500	C841—H84C	0.9900
C387—C386	1.38 (3)	C841—H84D	0.9900
I309—Zn35—I310	127.1 (7)	O1A—C13A—H13B	108.7
N317—Zn35—I309	103.9 (7)	C5A—C13A—H13A	108.7
N317—Zn35—I310	107.0 (6)	C5A—C13A—H13B	108.7
N317—Zn35—N323^i	100.6 (8)	H13A—C13A—H13B	107.6
N323^i—Zn35—I309	108.5 (7)	C11A—C10A—H10A	119.8
N323^i—Zn35—I310	106.6 (7)	C11A—C10A—C9A	120.4 (16)
I305—Zn33—I306	125.0 (2)	C9A—C10A—H10A	119.8
N307—Zn33—I306	106.8 (5)	C309—C310—H310	121.1
N307—Zn33—I305	106.1 (5)	C311—C310—C309	117.9 (17)
N306—Zn33—I306	107.7 (5)	C311—C310—H310	121.1
N306—Zn33—I305	107.3 (5)	N325—C373—C374	122 (3)
N306—Zn33—N307	101.5 (5)	N325—C373—H373	119.1
I307—Zn34—I308	121.9 (3)	C374—C373—H373	119.1
N313—Zn34—I307	107.8 (4)	N324—C372—H372	116.9
N313—Zn34—I308	108.6 (5)	N324—C372—C371	126 (2)
N312—Zn34—I307	108.5 (4)	C371—C372—H372	116.9
N312—Zn34—I308	106.7 (4)	C388—C389—H389	120.5
N312—Zn34—N313	101.4 (6)	C390—C389—C388	119 (2)
I403—Zn42—I404	126.8 (8)	C390—C389—H389	120.5
N305—Zn42—I403	106.5 (8)	C8A—C9A—H9A	120.5
N305—Zn42—I404	107.1 (8)	C10A—C9A—C8A	118.9 (15)
N311^ii—Zn42—I403	103.9 (9)	C10A—C9A—H9A	120.5
N311^ii—Zn42—I404	105.7 (9)	N329—C383—H383	119.0
N311^ii—Zn42—N305	104.7 (10)	N329—C383—C382	122 (2)
I312—Zn36—I311	124.7 (5)	C382—C383—H383	119.0
N319—Zn36—I312	106.6 (6)	C399—C403—H403	119.7
N319—Zn36—I311	108.3 (7)	C402—C403—C399	121 (2)
N318—Zn36—I312	108.2 (6)	C402—C403—H403	119.7
N318—Zn36—I311	104.8 (7)	O2A—C14A—H14A	109.5
N318—Zn36—N319	101.9 (7)	O2A—C14A—H14B	109.5
I317—Zn39—I318	124.0 (5)	O2A—C14A—H14C	109.5
N330—Zn39—I317	107.8 (7)	H14A—C14A—H14B	109.5
N330—Zn39—I318	109.1 (6)	H14A—C14A—H14C	109.5
N331—Zn39—I317	108.6 (7)	H14B—C14A—H14C	109.5
N331—Zn39—I318	103.8 (7)	N335—C404—C405	121 (3)
N331—Zn39—N330	101.1 (8)	N335—C404—H404	119.6
I301—Zn31—I302	120.4 (5)	C405—C404—H404	119.6
N336^iii—Zn31—I302	104.6 (7)	N324—C368—H368	118.9
N336^iii—Zn31—I301	109.2 (8)	N324—C368—C369	122 (2)
N301—Zn31—I302	111.6 (7)	C369—C368—H368	118.9
N301—Zn31—I301	106.4 (7)	C370—C371—H371	120.2
N301—Zn31—N336^iii	103.4 (9)	C372—C371—C370	120 (2)
I313—Zn37—I314	121.1 (3)	C372—C371—H371	120.2
N325—Zn37—I314	110.4 (6)	N319—C359—H359	117.7
N325—Zn37—I313	107.0 (6)	N319—C359—C358	125 (2)
N324—Zn37—I314	101.9 (7)	C358—C359—H359	117.7
N324—Zn37—I313	114.2 (9)	N336—C402—C403	125 (2)
N324—Zn37—N325	100.3 (8)	N336—C402—H402	117.3
I316—Zn38—I315	127.98 (18)	C403—C402—H402	117.3
N329—Zn38—I315	107.3 (6)	C381—C382—C383	118.8 (19)
N329—Zn38—I316	106.0 (5)	C381—C382—H382	120.6
N335^iv—Zn38—I315	110.7 (9)	C383—C382—H382	120.6
N335^iv—Zn38—I316	103.6 (8)	N311—C330—C331	122 (2)
N335^iv—Zn38—N329	96.9 (7)	N311—C330—H330	119.1
C325—N310—C326	115.8 (16)	C331—C330—H330	119.1
C343—N316—C344	113.7 (11)	C357—C358—H358	121.0
C344—N314—C342	118.3 (12)	C359—C358—C357	118 (2)
C307—N304—C308	113.9 (14)	C359—C358—H358	121.0
C347—N317—Zn35	122.4 (11)	O3A—C15A—H15A	109.5
C347—N317—C348	116.1 (13)	O3A—C15A—H15B	109.5
C347—N317—Zn45	121.8 (11)	O3A—C15A—H15C	109.5
C348—N317—Zn35	121.0 (11)	H15A—C15A—H15B	109.5
C348—N317—Zn45	121.2 (12)	H15A—C15A—H15C	109.5
C324—N308—C326	115.7 (14)	H15B—C15A—H15C	109.5
C379—N328—C380	113.3 (14)	N336—C401—H401	120.0
C343—N315—C342	113.3 (12)	N336—C401—C400	120 (2)
C355—N319—Zn36	125.7 (16)	C400—C401—H401	120.0
C355—N319—C359	116.0 (17)	N335—C408—H408	122.0
C355—N319—Zn46	123.7 (16)	N335—C408—C407	116 (3)
C355—N319—Zn56	144 (2)	N335—C408—Zn48^vii	62.9 (19)
C359—N319—Zn36	118.2 (12)	C407—C408—H408	122.0
C359—N319—Zn46	120.2 (12)	C407—C408—Zn48^vii	179 (3)
C359—N319—Zn56	100.3 (16)	C370—C369—H369	119.8
C308—N302—C306	115.9 (13)	C368—C369—C370	120 (2)
C341—N313—Zn34	120.3 (10)	C368—C369—H369	119.8
C341—N313—Zn44	119.6 (10)	C406—C407—C408	123 (3)
C337—N313—Zn34	123.2 (10)	C406—C407—H407	118.4
C337—N313—C341	116.5 (13)	C408—C407—H407	118.4
C337—N313—Zn44	123.9 (11)	N331—C391—H391	120.1
C365—N323—Zn35^viii	123.4 (13)	C392—C391—N331	120 (2)
C366—N323—Zn35^viii	117.7 (11)	C392—C391—H391	120.1
C366—N323—C365	118.8 (15)	C399—C400—H400	119.6
C324—N309—C325	113.4 (16)	C401—C400—C399	121 (2)
C378—N326—C380	115.5 (15)	C401—C400—H400	119.6
C360—N321—C361	113.6 (15)	C393—C392—H392	118.6
C323—N307—Zn33	119.1 (10)	C391—C392—C393	123 (3)
C323—N307—Zn43	123.3 (11)	C391—C392—H392	118.6
C319—N307—Zn33	125.2 (13)	N317—Zn45—N323^i	99.5 (10)
C319—N307—C323	115.5 (15)	N317—Zn45—I410	107.9 (8)
C319—N307—Zn43	120.9 (14)	N317—Zn45—I409	107.5 (8)
C361—N322—C362	114.5 (14)	N323^i—Zn45—I410	108.9 (9)
C312—N305—Zn42	125.3 (12)	N323^i—Zn45—I409	109.0 (9)
C312—N305—Zn32	121.5 (11)	I409—Zn45—I410	121.7 (11)
C311—N305—Zn42	116.9 (12)	N307—Zn43—I406	110.9 (8)
C311—N305—C312	117.6 (15)	N307—Zn43—I405	111.5 (9)
C311—N305—Zn32	120.0 (11)	N306—Zn43—N307	103.0 (8)
C336—N312—Zn34	124.1 (13)	N306—Zn43—I406	99.1 (8)
C336—N312—Zn44	124.0 (14)	N306—Zn43—I405	105.2 (9)
C332—N312—Zn34	118.3 (13)	I405—Zn43—I406	124.0 (7)
C332—N312—C336	117.5 (19)	N325—Zn47—I414	116.6 (8)
C332—N312—Zn44	118.4 (13)	N325—Zn47—I413	99.2 (7)
C354—N318—Zn36	122.2 (12)	N324—Zn47—N325	102.3 (9)
C354—N318—Zn46	124.0 (12)	N324—Zn47—I414	110.4 (9)
C354—N318—Zn56	110 (2)	N324—Zn47—I413	102.3 (9)
C350—N318—Zn36	120.9 (13)	I413—Zn47—I414	123.2 (6)
C350—N318—C354	116.9 (15)	N305—Zn32—N311^ii	98.4 (6)
C350—N318—Zn46	119.0 (13)	N305—Zn32—I304	109.9 (5)
C350—N318—Zn56	132 (2)	N305—Zn32—I303	103.8 (6)
C318—N306—Zn33	121.9 (11)	N311^ii—Zn32—I304	104.5 (5)
C318—N306—Zn43	125.3 (12)	N311^ii—Zn32—I303	109.4 (6)
C314—N306—Zn33	121.6 (10)	I304—Zn32—I303	127.2 (3)
C314—N306—C318	116.5 (13)	N330—Zn49—N331	102.5 (7)
C314—N306—Zn43	118.0 (10)	N330—Zn49—I418	105.4 (7)
C353—C352—C344	121.0 (13)	N330—Zn49—I417	106.3 (7)
C353—C352—C351	119.7 (13)	N331—Zn49—I418	108.3 (8)
C351—C352—C344	119.3 (13)	N331—Zn49—I417	105.9 (7)
N314—C342—N315	122.7 (13)	I417—Zn49—I418	126.2 (5)
N314—C342—C339	120.3 (13)	N329—Zn48—N335^iv	90.9 (8)
N315—C342—C339	116.9 (12)	N329—Zn48—C408^iv	97.5 (9)
C335—C334—C326	120.5 (14)	N329—Zn48—I416	116.6 (7)
C335—C334—C333	118.1 (18)	N329—Zn48—I415	95.8 (7)
C333—C334—C326	121.4 (15)	N335^iv—Zn48—C408^iv	31.8 (9)
C8A—O2A—C14A	117.6 (19)	N335^iv—Zn48—I416	128.9 (9)
C379—N327—C378	113.7 (14)	N335^iv—Zn48—I415	88.6 (9)
C402—N336—Zn31^v	124.8 (17)	I416—Zn48—I415	126.5 (6)
C402—N336—C401	120 (2)	N336^iii—Zn41—I402	108.0 (10)
C402—N336—Zn41^v	120.8 (17)	N336^iii—Zn41—I401	106.9 (10)
C402—N336—Zn51^v	102.4 (19)	N301—Zn41—N336^iii	103.6 (11)
C401—N336—Zn31^v	114.9 (17)	N301—Zn41—I402	112.3 (9)
C401—N336—Zn41^v	119.3 (17)	N301—Zn41—I401	102.8 (9)
C401—N336—Zn51^v	138 (2)	I401—Zn41—I402	121.7 (8)
N321—C361—C363	115.9 (15)	N325—Zn57—N324	88.6 (15)
N322—C361—N321	125.7 (15)	N325—Zn57—I514	126.0 (19)
N322—C361—C363	118.4 (14)	N325—Zn57—I513	90.3 (15)
C307—N303—C306	113.6 (13)	N324—Zn57—I514	127.1 (19)
C396—N333—C398	113.6 (19)	N324—Zn57—I513	88.5 (14)
C12A—O3A—C15A	117 (2)	I514—Zn57—I513	124.6 (18)
N310—C326—C334	118.7 (15)	N336^iii—Zn51—N301	96 (2)
N308—C326—N310	124.2 (19)	N336^iii—Zn51—I502	127 (2)
N308—C326—C334	117.1 (15)	N336^iii—Zn51—I501	95 (2)
C304—C303—C306	124.6 (14)	N301—Zn51—I502	114 (3)
C304—C303—C302	116.6 (15)	N301—Zn51—I501	96.7 (15)
C302—C303—C306	118.8 (14)	I501—Zn51—I502	122 (2)
C322—C321—C324	120.4 (18)	N329—Zn58—N335^iv	84.1 (16)
C322—C321—C320	117.1 (17)	N329—Zn58—I515	121 (3)
C320—C321—C324	122.4 (16)	N329—Zn58—I516	96 (2)
N310—C325—N309	125.1 (16)	N335^iv—Zn58—I515	133 (3)
N310—C325—C327	121.4 (17)	N335^iv—Zn58—I516	94.5 (19)
N309—C325—C327	113.5 (18)	I516—Zn58—I515	118 (2)
N308—C324—N309	125.6 (15)	N319—Zn46—N318	101.6 (6)
N308—C324—C321	117.5 (14)	N319—Zn46—I412	106.0 (6)
N309—C324—C321	116.9 (16)	N319—Zn46—I411	106.1 (7)
N317—C347—H347	118.2	N318—Zn46—I412	109.3 (6)
N317—C347—C346	123.6 (14)	N318—Zn46—I411	105.9 (7)
C346—C347—H347	118.2	I412—Zn46—I411	125.4 (5)
C301—N301—Zn31	117.7 (13)	N319—Zn56—N318	103 (3)
C301—N301—C305	118.6 (15)	N319—Zn56—I512	113 (4)
C301—N301—Zn41	122.6 (14)	N319—Zn56—I511	103 (3)
C301—N301—Zn51	137.7 (19)	N318—Zn56—I512	121 (4)
C305—N301—Zn31	123.5 (13)	N318—Zn56—I511	93 (3)
C305—N301—Zn41	118.5 (13)	I512—Zn56—I511	120 (3)
C305—N301—Zn51	102.2 (17)	N313—Zn44—I408	112.3 (7)
Zn42^vi—N311—Zn32^vi	3.5 (6)	N313—Zn44—I407	104.8 (7)
C329—N311—Zn42^vi	124.1 (16)	N312—Zn44—N313	102.5 (8)
C329—N311—Zn32^vi	120.9 (15)	N312—Zn44—I408	107.7 (6)
C330—N311—Zn42^vi	115.7 (14)	N312—Zn44—I407	110.1 (8)
C330—N311—C329	118.5 (17)	I408—Zn44—I407	118.4 (6)
C330—N311—Zn32^vi	119.2 (13)	C5B—C4B—C7B	120 (3)
N316—C344—C352	115.3 (12)	C3B—C4B—C5B	121 (2)
N314—C344—N316	124.0 (11)	C3B—C4B—C7B	119 (3)
N314—C344—C352	120.7 (12)	C12B—O3B—C15B	116 (5)
N316—C343—C345	116.3 (12)	C5B—C6B—H6B	120.3
N315—C343—N316	127.8 (12)	C1B—C6B—H6B	120.3
N315—C343—C345	115.8 (11)	C1B—C6B—C5B	119 (2)
C13A—O1A—H1A	109.5	C3B—C2B—H2B	120.5
C349—C345—C343	120.5 (13)	C3B—C2B—C1B	119 (2)
C346—C345—C343	121.5 (13)	C1B—C2B—H2B	120.5
C346—C345—C349	118.1 (13)	C4B—C5B—C13B	119 (2)
C390—N330—Zn39	123.0 (14)	C6B—C5B—C4B	119 (2)
C390—N330—Zn49	124.2 (14)	C6B—C5B—C13B	121 (2)
C386—N330—Zn39	122.0 (15)	C4B—C3B—C2B	119 (2)
C386—N330—C390	114.9 (18)	C4B—C3B—H3B	120.3
C386—N330—Zn49	120.8 (14)	C2B—C3B—H3B	120.3
C339—C338—H338	121.3	O3B—C12B—C11B	120.3 (16)
C337—C338—H338	121.3	O3B—C12B—C7B	118.4 (16)
C337—C338—C339	117.5 (13)	C11B—C12B—C7B	121.1 (17)
C363—C367—H367	120.8	C12B—C11B—H11B	120.7
C366—C367—H367	120.8	C12B—C11B—C10B	118.7 (17)
C366—C367—C363	118.3 (17)	C10B—C11B—H11B	120.7
C367—C363—C361	120.2 (15)	C6B—C1B—C2B	122 (2)
C364—C363—C361	122.9 (13)	C6B—C1B—H1B	119.2
C364—C363—C367	116.9 (14)	C2B—C1B—H1B	119.2
C398—N334—C397	115.3 (19)	C12B—C7B—C4B	120 (2)
N328—C379—N327	128.3 (15)	C8B—C7B—C4B	122 (2)
N328—C379—C381	116.2 (15)	C8B—C7B—C12B	118.6 (17)
N327—C379—C381	115.2 (14)	O3B—C15B—H15D	109.5
C363—C364—H364	118.8	O3B—C15B—H15E	109.5
C365—C364—C363	122.4 (15)	O3B—C15B—H15F	109.5
C365—C364—H364	118.8	H15D—C15B—H15E	109.5
C338—C339—C342	122.7 (12)	H15D—C15B—H15F	109.5
C340—C339—C342	118.0 (13)	H15E—C15B—H15F	109.5
C340—C339—C338	119.3 (14)	H82A—C821—H82B	107.9
C362—N320—C360	114.8 (15)	C820—C821—H82A	109.2
N304—C307—N303	127.7 (13)	C820—C821—H82B	109.2
N304—C307—C309	119.2 (14)	C822—C821—H82A	109.2
N303—C307—C309	113.0 (13)	C822—C821—H82B	109.2
N317—C348—H348	118.5	C822—C821—C820	112 (2)
N317—C348—C349	122.9 (15)	C821—C820—H82C	109.2
C349—C348—H348	118.5	C821—C820—H82D	109.2
N319—C355—H355	118.3	H82C—C820—H82D	107.9
N319—C355—C356	123 (2)	C819—C820—C821	112.2 (17)
C356—C355—H355	118.3	C819—C820—H82C	109.2
C8A—C7A—C4A	120.5 (14)	C819—C820—H82D	109.2
C8A—C7A—C12A	119.9 (15)	C820—C819—H81A	109.3
C12A—C7A—C4A	119.5 (15)	C820—C819—H81B	109.3
C377—N325—Zn37	122.2 (13)	C820—C819—C824	111.5 (19)
C377—N325—Zn47	110.2 (14)	H81A—C819—H81B	108.0
C377—N325—Zn57	90.8 (15)	C824—C819—H81A	109.3
C373—N325—Zn37	117.2 (17)	C824—C819—H81B	109.3
C373—N325—C377	120.6 (19)	C819—C824—H82E	109.2
C373—N325—Zn47	129.1 (18)	C819—C824—H82F	109.2
C373—N325—Zn57	148 (2)	H82E—C824—H82F	107.9
N307—C323—H323	118.6	C823—C824—C819	112.1 (19)
N307—C323—C322	122.9 (16)	C823—C824—H82E	109.2
C322—C323—H323	118.6	C823—C824—H82F	109.2
C345—C349—H349	120.0	C824—C823—H82G	109.1
C348—C349—C345	120.0 (13)	C824—C823—H82H	109.1
C348—C349—H349	120.0	H82G—C823—H82H	107.8
C384—N329—Zn38	120.8 (13)	C822—C823—C824	112.6 (18)
C384—N329—C383	121 (2)	C822—C823—H82G	109.1
C384—N329—Zn48	108.0 (15)	C822—C823—H82H	109.1
C384—N329—Zn58	119 (2)	C821—C822—H82I	109.3
C383—N329—Zn38	115.3 (17)	C821—C822—H82J	109.3
C383—N329—Zn48	129.1 (17)	C823—C822—C821	111.7 (18)
C383—N329—Zn58	108 (2)	C823—C822—H82I	109.3
N302—C306—N303	123.8 (15)	C823—C822—H82J	109.3
N302—C306—C303	118.9 (13)	H82I—C822—H82J	107.9
N303—C306—C303	116.9 (13)	H80A—C802—H80B	107.9
C395—N331—Zn39	129.2 (16)	C801—C802—H80A	109.1
C395—N331—C391	116.6 (19)	C801—C802—H80B	109.1
C395—N331—Zn49	128.3 (16)	C801—C802—C803	112 (2)
C391—N331—Zn39	114.2 (14)	C803—C802—H80A	109.1
C391—N331—Zn49	115.1 (14)	C803—C802—H80B	109.1
C339—C340—H340	120.9	C802—C801—H80C	109.5
C341—C340—C339	118.2 (15)	C802—C801—H80D	109.5
C341—C340—H340	120.9	C802—C801—C806	110.9 (17)
C356—C357—C360	121.0 (15)	H80C—C801—H80D	108.0
C356—C357—C358	116.2 (17)	C806—C801—H80C	109.5
C358—C357—C360	122.7 (18)	C806—C801—H80D	109.5
N304—C308—C316	114.3 (14)	C801—C806—H80E	109.3
N302—C308—N304	124.8 (15)	C801—C806—H80F	109.3
N302—C308—C316	120.8 (14)	C801—C806—C805	111.5 (17)
N313—C341—C340	123.2 (14)	H80E—C806—H80F	108.0
N313—C341—H341	118.4	C805—C806—H80E	109.3
C340—C341—H341	118.4	C805—C806—H80F	109.3
C355—C356—C357	121.5 (16)	C806—C805—H80G	109.4
C355—C356—H356	119.2	C806—C805—H80H	109.4
C357—C356—H356	119.2	H80G—C805—H80H	108.0
N323—C365—H365	119.8	C804—C805—C806	111.4 (17)
C364—C365—N323	120.3 (18)	C804—C805—H80G	109.4
C364—C365—H365	119.8	C804—C805—H80H	109.4
N322—C362—C370	116.4 (16)	C805—C804—H80I	109.6
N320—C362—N322	125.0 (17)	C805—C804—H80J	109.6
N320—C362—C370	118.6 (15)	H80I—C804—H80J	108.1
N301—C301—H301	118.3	C803—C804—C805	110.4 (17)
N301—C301—C302	123.3 (16)	C803—C804—H80I	109.6
C302—C301—H301	118.3	C803—C804—H80J	109.6
C352—C353—H353	121.6	C802—C803—C804	111.9 (16)
C352—C353—C354	116.8 (14)	C802—C803—H80K	109.2
C354—C353—H353	121.6	C802—C803—H80L	109.2
N318—C354—C353	124.6 (16)	C804—C803—H80K	109.2
N318—C354—H354	117.7	C804—C803—H80L	109.2
C353—C354—H354	117.7	H80K—C803—H80L	107.9
C397—N332—C396	112.5 (18)	H82K—C829—H82L	107.7
C309—C313—H313	121.2	C828—C829—H82K	108.9
C312—C313—H313	121.2	C828—C829—H82L	108.9
C312—C313—C309	117.7 (14)	C830—C829—H82K	108.9
C387—C388—C380	122.4 (16)	C830—C829—H82L	108.9
C387—C388—C389	114.6 (18)	C830—C829—C828	114 (2)
C389—C388—C380	123.0 (17)	C829—C828—H82M	109.2
C374—C375—C378	122.5 (17)	C829—C828—H82N	109.2
C376—C375—C378	120.1 (19)	C829—C828—C827	112.1 (19)
C376—C375—C374	117.4 (19)	H82M—C828—H82N	107.9
C321—C322—H322	120.1	C827—C828—H82M	109.2
C323—C322—C321	119.7 (19)	C827—C828—H82N	109.2
C323—C322—H322	120.1	C828—C827—H82O	109.4
N326—C378—N327	123.6 (16)	C828—C827—H82P	109.4
N326—C378—C375	121.6 (17)	C828—C827—C826	111 (2)
N327—C378—C375	114.5 (15)	H82O—C827—H82P	108.0
N328—C380—C388	115.2 (15)	C826—C827—H82O	109.4
N326—C380—N328	125.4 (15)	C826—C827—H82P	109.4
N326—C380—C388	119.4 (15)	C827—C826—H82Q	109.4
C334—C335—H335	120.8	C827—C826—H82R	109.4
C336—C335—C334	118.4 (17)	C827—C826—C825	111.1 (19)
C336—C335—H335	120.8	H82Q—C826—H82R	108.0
N313—C337—C338	125.4 (13)	C825—C826—H82Q	109.4
N313—C337—H337	117.3	C825—C826—H82R	109.4
C338—C337—H337	117.3	C826—C825—H82S	109.3
N312—C336—C335	124.4 (18)	C826—C825—H82T	109.3
N312—C336—H336	117.8	H82S—C825—H82T	108.0
C335—C336—H336	117.8	C830—C825—C826	111.5 (19)
N334—C397—C399	115.5 (19)	C830—C825—H82S	109.3
N332—C397—N334	127 (2)	C830—C825—H82T	109.3
N332—C397—C399	117.3 (18)	C829—C830—C825	113.1 (19)
C352—C351—H351	120.6	C829—C830—H83A	109.0
C350—C351—C352	118.8 (16)	C829—C830—H83B	109.0
C350—C351—H351	120.6	C825—C830—H83A	109.0
C328—C327—C325	126.8 (19)	C825—C830—H83B	109.0
C328—C327—C331	117.2 (17)	H83A—C830—H83B	107.8
C331—C327—C325	116 (2)	H80M—C808—H80N	107.9
C315—C316—C308	118.6 (15)	C807—C808—H80M	109.2
C317—C316—C308	123.6 (15)	C807—C808—H80N	109.2
C317—C316—C315	117.4 (15)	C809—C808—H80M	109.2
C316—C315—H315	120.8	C809—C808—H80N	109.2
C316—C315—C314	118.4 (15)	C809—C808—C807	112 (2)
C314—C315—H315	120.8	C808—C807—H80O	109.4
C371—C370—C362	124.5 (19)	C808—C807—H80P	109.4
C369—C370—C362	120.5 (17)	C808—C807—C812	111.3 (18)
C369—C370—C371	115 (2)	H80O—C807—H80P	108.0
C4A—C3A—H3A	119.9	C812—C807—H80O	109.4
C2A—C3A—H3A	119.9	C812—C807—H80P	109.4
C2A—C3A—C4A	120.3 (13)	C807—C812—H81C	109.7
C347—C346—H346	120.5	C807—C812—H81D	109.7
C345—C346—C347	119.0 (14)	H81C—C812—H81D	108.2
C345—C346—H346	120.5	C811—C812—C807	109.9 (17)
N306—C318—H318	118.6	C811—C812—H81C	109.7
N306—C318—C317	122.9 (17)	C811—C812—H81D	109.7
C317—C318—H318	118.6	C812—C811—H81E	109.4
C6A—C1A—H1AA	120.3	C812—C811—H81F	109.4
C2A—C1A—H1AA	120.3	C812—C811—C810	111.0 (17)
C2A—C1A—C6A	119.3 (13)	H81E—C811—H81F	108.0
C385—C381—C379	121.4 (16)	C810—C811—H81E	109.4
C382—C381—C379	119.7 (16)	C810—C811—H81F	109.4
C382—C381—C385	118.9 (17)	C811—C810—H81G	109.3
N306—C314—C315	123.9 (13)	C811—C810—H81H	109.3
N306—C314—H314	118.1	H81G—C810—H81H	107.9
C315—C314—H314	118.1	C809—C810—C811	111.7 (18)
C372—N324—Zn37	128.1 (17)	C809—C810—H81G	109.3
C372—N324—C368	117 (2)	C809—C810—H81H	109.3
C372—N324—Zn47	118.8 (18)	C808—C809—C810	111.9 (18)
C372—N324—Zn57	104 (2)	C808—C809—H80Q	109.2
C368—N324—Zn37	114.9 (19)	C808—C809—H80R	109.2
C368—N324—Zn47	124.3 (18)	C810—C809—H80Q	109.2
C368—N324—Zn57	137 (2)	C810—C809—H80R	109.2
C327—C328—H328	119.8	H80Q—C809—H80R	107.9
C327—C328—C329	120.3 (19)	H83C—C833—H83D	108.0
C329—C328—H328	119.8	C1O—C833—H83C	109.4
C334—C333—H333	120.6	C1O—C833—H83D	109.4
C332—C333—C334	118.9 (18)	C1O—C833—C834	111 (2)
C332—C333—H333	120.6	C834—C833—H83C	109.4
C313—C309—C307	120.7 (13)	C834—C833—H83D	109.4
C310—C309—C307	119.4 (15)	C833—C1O—H1OA	109.1
C310—C309—C313	119.9 (14)	C833—C1O—H1OB	109.1
N307—C319—H319	117.2	H1OA—C1O—H1OB	107.8
N307—C319—C320	126 (2)	C832—C1O—C833	112 (2)
C320—C319—H319	117.2	C832—C1O—H1OA	109.1
C394—C393—C396	123.1 (17)	C832—C1O—H1OB	109.1
C392—C393—C396	123 (2)	C1O—C832—H83E	109.1
C392—C393—C394	114 (2)	C1O—C832—H83F	109.1
N333—C398—C406	115 (2)	C1O—C832—C831	113 (2)
N334—C398—N333	123.8 (18)	H83E—C832—H83F	107.8
N334—C398—C406	120 (2)	C831—C832—H83E	109.1
C3A—C4A—C7A	118.5 (14)	C831—C832—H83F	109.1
C5A—C4A—C7A	121.5 (14)	C832—C831—H83G	109.2
C5A—C4A—C3A	120.0 (12)	C832—C831—H83H	109.2
N312—C332—C333	122.7 (18)	C832—C831—C835	112 (2)
N312—C332—H332	118.7	H83G—C831—H83H	107.9
C333—C332—H332	118.7	C835—C831—H83G	109.2
C1A—C6A—H6A	119.2	C835—C831—H83H	109.2
C1A—C6A—C5A	121.6 (13)	C831—C835—H83I	109.4
C5A—C6A—H6A	119.2	C831—C835—H83J	109.4
C381—C385—H385	120.7	C831—C835—C834	111 (2)
C381—C385—C384	118.6 (17)	H83I—C835—H83J	108.0
C384—C385—H385	120.7	C834—C835—H83I	109.4
C303—C304—H304	120.0	C834—C835—H83J	109.4
C303—C304—C305	119.9 (16)	C833—C834—H83K	109.3
C305—C304—H304	120.0	C833—C834—H83L	109.3
C403—C399—C397	124 (2)	C835—C834—C833	111 (2)
C403—C399—C400	114 (2)	C835—C834—H83K	109.3
C400—C399—C397	123 (2)	C835—C834—H83L	109.3
Zn38^vii—N335—Zn48^vii	31.2 (4)	H83K—C834—H83L	108.0
Zn38^vii—N335—Zn58^vii	14.9 (9)	H81I—C815—H81J	108.1
C404—N335—Zn38^vii	119 (2)	C814—C815—H81I	109.5
C404—N335—C408	123 (3)	C814—C815—H81J	109.5
C404—N335—Zn48^vii	150 (2)	C816—C815—H81I	109.5
C404—N335—Zn58^vii	105 (2)	C816—C815—H81J	109.5
C408—N335—Zn38^vii	116 (2)	C816—C815—C814	111 (2)
C408—N335—Zn48^vii	85 (2)	C815—C814—H81K	109.4
C408—N335—Zn58^vii	130 (2)	C815—C814—H81L	109.4
Zn48^vii—N335—Zn58^vii	45.8 (11)	H81K—C814—H81L	108.0
N311—C329—C328	123 (2)	C813—C814—C815	111.4 (19)
N311—C329—H329	118.4	C813—C814—H81K	109.4
C328—C329—H329	118.4	C813—C814—H81L	109.4
N323—C366—C367	123.0 (17)	C814—C813—H81M	109.2
N323—C366—H366	118.5	C814—C813—H81N	109.2
C367—C366—H366	118.5	H81M—C813—H81N	107.9
C4A—C5A—C13A	119.7 (13)	C818—C813—C814	112.2 (19)
C6A—C5A—C4A	118.7 (12)	C818—C813—H81M	109.2
C6A—C5A—C13A	121.5 (14)	C818—C813—H81N	109.2
C388—C387—H387	119.6	C813—C818—H81O	109.3
C386—C387—C388	120.8 (18)	C813—C818—H81P	109.3
C386—C387—H387	119.6	C813—C818—C817	111.6 (19)
N333—C396—N332	127.4 (19)	H81O—C818—H81P	108.0
N333—C396—C393	117.2 (19)	C817—C818—H81O	109.3
N332—C396—C393	115.3 (17)	C817—C818—H81P	109.3
C3A—C2A—C1A	120.0 (13)	C818—C817—H81Q	109.3
C3A—C2A—H2A	120.0	C818—C817—H81R	109.3
C1A—C2A—H2A	120.0	C818—C817—C816	111.6 (19)
N321—C360—N320	126.4 (16)	H81Q—C817—H81R	108.0
N321—C360—C357	117.4 (16)	C816—C817—H81Q	109.3
N320—C360—C357	116.0 (14)	C816—C817—H81R	109.3
N318—C350—C351	122.9 (17)	C815—C816—C817	111.3 (18)
N318—C350—H350	118.5	C815—C816—H81S	109.4
C351—C350—H350	118.5	C815—C816—H81T	109.4
C321—C320—H320	120.5	C817—C816—H81S	109.4
C319—C320—C321	119.1 (19)	C817—C816—H81T	109.4
C319—C320—H320	120.5	H81S—C816—H81T	108.0
N330—C390—H390	116.8	C11B—C10B—H10B	119.5
N330—C390—C389	126 (2)	C9B—C10B—C11B	121.0 (18)
C389—C390—H390	116.8	C9B—C10B—H10B	119.5
N301—C305—C304	120.9 (16)	C5B—C13B—H13C	109.1
N301—C305—H305	119.5	C5B—C13B—H13D	109.1
C304—C305—H305	119.5	H13C—C13B—H13D	107.9
N329—C384—C385	119.6 (19)	O1B—C13B—C5B	112 (3)
N329—C384—H384	120.2	O1B—C13B—H13C	109.1
C385—C384—H384	120.2	O1B—C13B—H13D	109.1
O2A—C8A—C7A	117.0 (14)	C8B—O2B—C14B	116 (2)
O2A—C8A—C9A	122.1 (16)	C10B—C9B—H9B	120.6
C7A—C8A—C9A	120.9 (16)	C8B—C9B—C10B	118.7 (17)
N305—C312—C313	122.5 (16)	C8B—C9B—H9B	120.6
N305—C312—H312	118.7	C13B—O1B—H1BA	109.5
C313—C312—H312	118.7	C7B—C8B—C9B	121.9 (17)
N331—C395—H395	116.9	O2B—C8B—C7B	118 (2)
N331—C395—C394	126 (2)	O2B—C8B—C9B	119 (2)
C394—C395—H395	116.9	O2B—C14B—H14D	109.5
C316—C317—C318	120.5 (17)	O2B—C14B—H14E	109.5
C316—C317—H317	119.7	O2B—C14B—H14F	109.5
C318—C317—H317	119.7	H14D—C14B—H14E	109.5
C303—C302—H302	119.9	H14D—C14B—H14F	109.5
C301—C302—C303	120.2 (16)	H14E—C14B—H14F	109.5
C301—C302—H302	119.9	H84A—C840—H84B	108.2
C375—C374—H374	118.7	C839—C840—H84A	109.7
C373—C374—C375	123 (2)	C839—C840—H84B	109.7
C373—C374—H374	118.7	C839—C840—C841	110 (2)
C405—C406—C398	124 (2)	C841—C840—H84A	109.7
C405—C406—C407	113 (2)	C841—C840—H84B	109.7
C407—C406—C398	123 (3)	C840—C839—H83M	109.6
N325—C377—H377	119.6	C840—C839—H83N	109.6
N325—C377—C376	120.7 (18)	C840—C839—C838	110 (2)
C376—C377—H377	119.6	H83M—C839—H83N	108.1
N305—C311—H311	117.8	C838—C839—H83M	109.6
N305—C311—C310	124.5 (16)	C838—C839—H83N	109.6
C310—C311—H311	117.8	C839—C838—H83O	109.6
O3A—C12A—C7A	115.5 (14)	C839—C838—H83P	109.6
O3A—C12A—C11A	125.6 (18)	H83O—C838—H83P	108.1
C11A—C12A—C7A	118.9 (19)	C837—C838—C839	110 (2)
C12A—C11A—H11A	119.6	C837—C838—H83O	109.6
C10A—C11A—C12A	120.9 (19)	C837—C838—H83P	109.6
C10A—C11A—H11A	119.6	C838—C837—H83Q	109.6
C375—C376—C377	117 (2)	C838—C837—H83R	109.6
C375—C376—H376	121.6	H83Q—C837—H83R	108.1
C377—C376—H376	121.6	C836—C837—C838	110 (2)
C406—C405—H405	118.3	C836—C837—H83Q	109.6
C404—C405—C406	123 (3)	C836—C837—H83R	109.6
C404—C405—H405	118.3	C837—C836—H83S	109.5
C393—C394—H394	119.5	C837—C836—H83T	109.5
C395—C394—C393	121 (2)	C837—C836—C841	111 (2)
C395—C394—H394	119.5	H83S—C836—H83T	108.1
C327—C331—H331	120.7	C841—C836—H83S	109.5
C330—C331—C327	119 (2)	C841—C836—H83T	109.5
C330—C331—H331	120.7	C840—C841—C836	110 (2)
N330—C386—C387	124 (2)	C840—C841—H84C	109.6
N330—C386—H386	117.9	C840—C841—H84D	109.6
C387—C386—H386	117.9	C836—C841—H84C	109.6
O1A—C13A—C5A	114.1 (15)	C836—C841—H84D	109.6
O1A—C13A—H13A	108.7	H84C—C841—H84D	108.1
Zn35—N317—C347—C346	178.8 (16)	C309—C313—C312—N305	1 (3)
Zn35—N317—C348—C349	−175.4 (16)	C319—N307—C323—C322	−3 (2)
Zn35^viii—N323—C365—C364	−173.3 (12)	C398—N333—C396—N332	4 (3)
Zn35^viii—N323—C366—C367	174.1 (15)	C398—N333—C396—C393	−174.7 (18)
Zn33—N307—C323—C322	171.8 (12)	C398—N334—C397—N332	5 (3)
Zn33—N307—C319—C320	−173.3 (16)	C398—N334—C397—C399	−175.6 (18)
Zn33—N306—C318—C317	172.5 (17)	C398—C406—C405—C404	175 (2)
Zn33—N306—C314—C315	−173.5 (17)	C398—C406—C407—C408	−173 (3)
Zn34—N313—C341—C340	−179 (100)	C4A—C7A—C8A—O2A	3 (3)
Zn34—N313—C337—C338	178.1 (15)	C4A—C7A—C8A—C9A	−179 (2)
Zn34—N312—C336—C335	176.4 (16)	C4A—C7A—C12A—O3A	−4 (3)
Zn34—N312—C332—C333	−177.6 (18)	C4A—C7A—C12A—C11A	176 (2)
Zn42—N305—C312—C313	−176.1 (17)	C4A—C3A—C2A—C1A	0 (3)
Zn42—N305—C311—C310	176 (3)	C4A—C5A—C13A—O1A	157.7 (19)
Zn42^vi—N311—C329—C328	−168.7 (14)	C332—N312—C336—C335	−2 (3)
Zn42^vi—N311—C330—C331	171.9 (18)	C6A—C1A—C2A—C3A	2 (3)
Zn36—N319—C355—C356	−177.3 (13)	C6A—C5A—C13A—O1A	−26 (3)
Zn36—N319—C359—C358	−179 (2)	C385—C381—C382—C383	5 (4)
Zn36—N318—C354—C353	173.5 (15)	C304—C303—C306—N302	7 (3)
Zn36—N318—C350—C351	−175.4 (18)	C304—C303—C306—N303	−165 (2)
Zn39—N330—C390—C389	175.9 (18)	C304—C303—C302—C301	−2 (3)
Zn39—N330—C386—C387	−175 (2)	C399—C403—C402—N336	−2 (6)
Zn39—N331—C395—C394	177.2 (18)	N335—C408—C407—C406	−6 (5)
Zn39—N331—C391—C392	−176 (3)	C329—N311—C330—C331	6 (3)
Zn31^v—N336—C402—C403	174 (3)	C366—N323—C365—C364	3 (2)
Zn31^v—N336—C401—C400	−174 (3)	C366—C367—C363—C361	−174.8 (16)
Zn31—N301—C301—C302	177.3 (19)	C366—C367—C363—C364	4 (2)
Zn31—N301—C305—C304	−179.1 (17)	C387—C388—C380—N328	−178.9 (18)
Zn37—N325—C377—C376	179.7 (16)	C387—C388—C380—N326	1 (3)
Zn37—N325—C373—C374	−179 (2)	C387—C388—C389—C390	−1 (3)
Zn37—N324—C372—C371	173 (3)	C396—N333—C398—N334	−3 (3)
Zn37—N324—C368—C369	−173 (3)	C396—N333—C398—C406	171.7 (18)
Zn38—N329—C384—C385	−166.4 (16)	C396—N332—C397—N334	−3 (3)
Zn38—N329—C383—C382	171 (3)	C396—N332—C397—C399	177.1 (19)
Zn38^vii—N335—C404—C405	−174.9 (18)	C396—C393—C394—C395	178 (2)
Zn38^vii—N335—C408—C407	176 (2)	C396—C393—C392—C391	−176 (3)
N310—C325—C327—C328	−179.3 (16)	C2A—C3A—C4A—C7A	179.1 (18)
N310—C325—C327—C331	−2 (2)	C2A—C3A—C4A—C5A	−3 (3)
N316—C343—C345—C349	−3 (2)	C2A—C1A—C6A—C5A	−2 (3)
N316—C343—C345—C346	177.7 (16)	C360—N321—C361—N322	−2 (2)
N314—C342—C339—C338	−169.6 (16)	C360—N321—C361—C363	176.1 (14)
N314—C342—C339—C340	14 (3)	C360—N320—C362—N322	−3 (3)
N304—C307—C309—C313	13 (3)	C360—N320—C362—C370	178.0 (16)
N304—C307—C309—C310	−168 (2)	C360—C357—C356—C355	−179.9 (16)
N304—C308—C316—C315	−176.1 (18)	C360—C357—C358—C359	−177 (2)
N304—C308—C316—C317	−3 (3)	C350—N318—C354—C353	−4 (3)
N317—C347—C346—C345	−6 (3)	C320—C321—C324—N308	−173.0 (16)
N317—C348—C349—C345	−1 (3)	C320—C321—C324—N309	8 (2)
N328—C379—C381—C385	2 (3)	C320—C321—C322—C323	−1 (2)
N328—C379—C381—C382	−174 (2)	C390—N330—C386—C387	1 (4)
N315—C342—C339—C338	14 (2)	C305—N301—C301—C302	−9 (3)
N315—C342—C339—C340	−162.3 (17)	C384—N329—C383—C382	9 (5)
N315—C343—C345—C349	174.0 (16)	C8A—C7A—C4A—C3A	70 (3)
N315—C343—C345—C346	−5 (2)	C8A—C7A—C4A—C5A	−108 (3)
N319—C355—C356—C357	−2 (3)	C8A—C7A—C12A—O3A	179 (2)
N319—C359—C358—C357	−5 (4)	C8A—C7A—C12A—C11A	0 (4)
N302—C308—C316—C315	6 (3)	C312—N305—C311—C310	0 (4)
N302—C308—C316—C317	179 (2)	C312—C313—C309—C307	178.5 (18)
N309—C325—C327—C328	3 (2)	C312—C313—C309—C310	0 (3)
N309—C325—C327—C331	179.8 (15)	C395—N331—C391—C392	4 (4)
N321—C361—C363—C367	165.6 (15)	C317—C316—C315—C314	3 (3)
N321—C361—C363—C364	−13 (2)	C302—C303—C306—N302	−174.7 (18)
N307—C323—C322—C321	3 (2)	C302—C303—C306—N303	13 (3)
N307—C319—C320—C321	1 (3)	C302—C303—C304—C305	1 (3)
N322—C361—C363—C367	−16 (2)	C374—C375—C378—N326	−176 (2)
N322—C361—C363—C364	165.4 (15)	C374—C375—C378—N327	10 (3)
N322—C362—C370—C371	18 (3)	C374—C375—C376—C377	−1 (3)
N322—C362—C370—C369	−166 (2)	C406—C405—C404—N335	3 (4)
N305—C311—C310—C309	1 (5)	C377—N325—C373—C374	0 (4)
N306—C318—C317—C316	6 (4)	C311—N305—C312—C313	−1 (3)
C352—C353—C354—N318	5 (3)	C12A—C7A—C4A—C3A	−106 (2)
C352—C351—C350—N318	−2 (4)	C12A—C7A—C4A—C5A	76 (3)
C342—N314—C344—N316	0 (3)	C12A—C7A—C8A—O2A	179 (2)
C342—N314—C344—C352	179.0 (16)	C12A—C7A—C8A—C9A	−2 (4)
C342—N315—C343—N316	−1 (3)	C12A—C11A—C10A—C9A	−2 (4)
C342—N315—C343—C345	−177.1 (14)	C11A—C10A—C9A—C8A	0 (4)
C342—C339—C340—C341	178.0 (18)	C376—C375—C378—N326	4 (3)
C334—C335—C336—N312	1 (3)	C376—C375—C378—N327	−169.7 (19)
C334—C333—C332—N312	1 (3)	C376—C375—C374—C373	2 (4)
O2A—C8A—C9A—C10A	−179 (2)	C405—C406—C407—C408	2 (4)
N327—C379—C381—C385	177.6 (19)	C394—C393—C396—N333	−15 (3)
N327—C379—C381—C382	1 (3)	C394—C393—C396—N332	166 (2)
N336—C401—C400—C399	1 (6)	C394—C393—C392—C391	−2 (5)
C361—N321—C360—N320	1 (2)	C331—C327—C328—C329	−2 (3)
C361—N321—C360—C357	−173.9 (14)	C386—N330—C390—C389	−1 (4)
C361—N322—C362—N320	1 (2)	C373—N325—C377—C376	1 (3)
C361—N322—C362—C370	−179.6 (15)	C372—N324—C368—C369	2 (5)
C361—C363—C364—C365	175.3 (15)	C389—C388—C380—N328	2 (3)
N303—C307—C309—C313	−171.1 (19)	C389—C388—C380—N326	−177.5 (18)
N303—C307—C309—C310	8 (3)	C389—C388—C387—C386	1 (3)
N333—C398—C406—C405	−10 (3)	C383—N329—C384—C385	−5 (4)
N333—C398—C406—C407	165 (2)	C403—C399—C400—C401	1 (5)
O3A—C12A—C11A—C10A	−177 (2)	C14A—O2A—C8A—C7A	176 (2)
C326—N310—C325—N309	2 (2)	C14A—O2A—C8A—C9A	−3 (3)
C326—N310—C325—C327	−175.5 (13)	C404—N335—C408—C407	8 (4)
C326—N308—C324—N309	−1 (2)	C404—N335—C408—Zn48^vii	−172 (3)
C326—N308—C324—C321	−179.8 (12)	C368—N324—C372—C371	−2 (6)
C326—C334—C335—C336	179.9 (17)	C371—C370—C369—C368	−3 (4)
C326—C334—C333—C332	179.1 (18)	C359—N319—C355—C356	0 (3)
C303—C304—C305—N301	−3 (3)	C402—N336—C401—C400	−3 (5)
C325—N310—C326—N308	1 (2)	C382—C381—C385—C384	−1 (3)
C325—N310—C326—C334	−179.7 (13)	C330—N311—C329—C328	−4 (3)
C325—N309—C324—N308	3 (2)	C358—C357—C356—C355	0 (3)
C325—N309—C324—C321	−177.4 (12)	C358—C357—C360—N321	151 (2)
C325—C327—C328—C329	175.0 (16)	C358—C357—C360—N320	−24 (3)
C325—C327—C331—C330	−173.6 (18)	C15A—O3A—C12A—C7A	175 (2)
C324—N308—C326—N310	−1.9 (19)	C15A—O3A—C12A—C11A	−5 (4)
C324—N308—C326—C334	178.9 (12)	C401—N336—C402—C403	4 (6)
C324—N309—C325—N310	−4 (2)	C408—N335—C404—C405	−7 (4)
C324—N309—C325—C327	173.6 (12)	C369—C370—C371—C372	3 (5)
C324—C321—C322—C323	−178.0 (14)	C407—C406—C405—C404	−1 (4)
C324—C321—C320—C319	176.1 (17)	C391—N331—C395—C394	−3 (4)
C347—N317—C348—C349	−4 (3)	C400—C399—C403—C402	−1 (5)
N301—C301—C302—C303	6 (4)	C392—C393—C396—N333	159 (3)
C344—N316—C343—N315	3 (3)	C392—C393—C396—N332	−20 (4)
C344—N316—C343—C345	179.6 (14)	C392—C393—C394—C395	3 (4)
C344—N314—C342—N315	3 (3)	Zn45—N317—C347—C346	176.7 (17)
C344—N314—C342—C339	−172.7 (16)	Zn45—N317—C348—C349	−173.3 (17)
C344—C352—C353—C354	177.4 (17)	Zn43—N307—C323—C322	170.5 (12)
C344—C352—C351—C350	−178.9 (19)	Zn43—N307—C319—C320	−172.5 (17)
C343—N316—C344—N314	−3 (3)	Zn43—N306—C318—C317	169.4 (17)
C343—N316—C344—C352	178.1 (15)	Zn43—N306—C314—C315	−170.7 (18)
C343—N315—C342—N314	−3 (2)	Zn47—N325—C377—C376	179 (100)
C343—N315—C342—C339	173.2 (15)	Zn47—N325—C373—C374	−178 (2)
C343—C345—C349—C348	−177.2 (17)	Zn47—N324—C372—C371	−178 (3)
C343—C345—C346—C347	−179.6 (17)	Zn47—N324—C368—C369	178 (3)
N330—C390—C389—C388	1 (4)	Zn32—N305—C312—C313	−170.3 (16)
C338—C339—C340—C341	1 (3)	Zn32—N305—C311—C310	169 (3)
C367—C363—C364—C365	−3 (2)	Zn32^vi—N311—C329—C328	−170.4 (13)
C363—C367—C366—N323	−1 (3)	Zn32^vi—N311—C330—C331	172.5 (17)
C363—C364—C365—N323	0 (2)	Zn49—N330—C390—C389	175.1 (18)
N334—C397—C399—C403	14 (4)	Zn49—N330—C386—C387	−175 (2)
N334—C397—C399—C400	−163 (3)	Zn49—N331—C395—C394	179.1 (18)
N334—C398—C406—C405	164 (2)	Zn49—N331—C391—C392	−178 (3)
N334—C398—C406—C407	−21 (3)	Zn48—N329—C384—C385	162.0 (18)
C379—N328—C380—N326	−4 (3)	Zn48—N329—C383—C382	−155 (3)
C379—N328—C380—C388	176.0 (16)	Zn48^vii—N335—C404—C405	−172 (2)
C379—N327—C378—N326	−1 (3)	Zn48^vii—N335—C408—C407	−180 (3)
C379—N327—C378—C375	172.1 (16)	Zn41^v—N336—C402—C403	177 (3)
C379—C381—C385—C384	−178.3 (19)	Zn41^v—N336—C401—C400	−177 (3)
C379—C381—C382—C383	−178 (3)	Zn41—N301—C301—C302	178.2 (19)
C339—C338—C337—N313	2 (3)	Zn41—N301—C305—C304	−179.4 (18)
C339—C340—C341—N313	0 (3)	Zn57—N325—C377—C376	−177 (2)
N320—C362—C370—C371	−163 (2)	Zn57—N325—C373—C374	175 (3)
N320—C362—C370—C369	13 (3)	Zn57—N324—C372—C371	−167 (4)
C307—N304—C308—N302	−6 (3)	Zn57—N324—C368—C369	161 (3)
C307—N304—C308—C316	176.1 (16)	Zn51^v—N336—C402—C403	−175 (4)
C307—N303—C306—N302	2 (3)	Zn51^v—N336—C401—C400	175 (4)
C307—N303—C306—C303	173.8 (17)	Zn51—N301—C301—C302	−172 (3)
C307—C309—C310—C311	−179 (2)	Zn51—N301—C305—C304	176 (2)
C348—N317—C347—C346	7 (3)	Zn58—N329—C384—C385	−145 (2)
C355—N319—C359—C358	3 (4)	Zn58—N329—C383—C382	152 (4)
C7A—C4A—C5A—C6A	−179.2 (18)	Zn58^vii—N335—C404—C405	−172 (3)
C7A—C4A—C5A—C13A	−3 (3)	Zn58^vii—N335—C408—C407	169 (3)
C7A—C8A—C9A—C10A	2 (4)	Zn46—N319—C355—C356	−177.6 (13)
C7A—C12A—C11A—C10A	2 (4)	Zn46—N319—C359—C358	−179 (2)
N325—C377—C376—C375	0 (3)	Zn46—N318—C354—C353	173.2 (15)
C323—N307—C319—C320	1 (3)	Zn46—N318—C350—C351	−175.2 (19)
C349—C345—C346—C347	1 (3)	Zn56—N319—C355—C356	174 (4)
N329—C383—C382—C381	−9 (6)	Zn56—N319—C359—C358	−173 (4)
C306—N302—C308—N304	7 (3)	Zn56—N318—C354—C353	−171 (2)
C306—N302—C308—C316	−175.5 (18)	Zn56—N318—C350—C351	166 (2)
C306—N303—C307—N304	−1 (3)	Zn44—N313—C341—C340	−180 (100)
C306—N303—C307—C309	−176.8 (16)	Zn44—N313—C337—C338	178.5 (15)
C306—C303—C304—C305	178.9 (19)	Zn44—N312—C336—C335	177.9 (17)
C306—C303—C302—C301	180 (2)	Zn44—N312—C332—C333	−179.0 (18)
N331—C395—C394—C393	−1 (4)	C4B—C5B—C13B—O1B	−143 (4)
N331—C391—C392—C393	−2 (6)	C4B—C7B—C8B—O2B	−6 (6)
C308—N304—C307—N303	3 (3)	C4B—C7B—C8B—C9B	−178 (5)
C308—N304—C307—C309	178.7 (17)	O3B—C12B—C11B—C10B	177 (5)
C308—N302—C306—N303	−5 (3)	O3B—C12B—C7B—C4B	2 (7)
C308—N302—C306—C303	−176.6 (17)	O3B—C12B—C7B—C8B	−176 (5)
C308—C316—C315—C314	176.2 (19)	C6B—C5B—C13B—O1B	37 (5)
C308—C316—C317—C318	−177 (2)	C5B—C4B—C3B—C2B	6 (7)
C341—N313—C337—C338	0 (3)	C5B—C4B—C7B—C12B	−71 (5)
C356—C357—C360—N321	−29 (2)	C5B—C4B—C7B—C8B	108 (4)
C356—C357—C360—N320	155.8 (16)	C5B—C6B—C1B—C2B	2 (8)
C356—C357—C358—C359	3 (3)	C3B—C4B—C5B—C6B	−2 (5)
C365—N323—C366—C367	−3 (3)	C3B—C4B—C5B—C13B	178 (4)
C362—N322—C361—N321	2 (2)	C3B—C4B—C7B—C12B	113 (5)
C362—N322—C361—C363	−176.8 (14)	C3B—C4B—C7B—C8B	−69 (5)
C362—N320—C360—N321	2 (3)	C3B—C2B—C1B—C6B	2 (8)
C362—N320—C360—C357	176.4 (15)	C12B—C11B—C10B—C9B	−1 (7)
C362—C370—C371—C372	179 (3)	C12B—C7B—C8B—O2B	172 (6)
C362—C370—C369—C368	−179 (3)	C12B—C7B—C8B—C9B	0 (3)
C301—N301—C305—C304	7 (3)	C11B—C12B—C7B—C4B	178 (5)
C353—C352—C344—N316	9 (3)	C11B—C12B—C7B—C8B	−1 (6)
C353—C352—C344—N314	−170.8 (17)	C11B—C10B—C9B—C8B	1 (6)
C353—C352—C351—C350	3 (3)	C1B—C6B—C5B—C4B	−1 (5)
C354—N318—C350—C351	2 (3)	C1B—C6B—C5B—C13B	179 (5)
N332—C397—C399—C403	−166 (3)	C1B—C2B—C3B—C4B	−6 (8)
N332—C397—C399—C400	17 (4)	C7B—C4B—C5B—C6B	−179 (4)
C313—C309—C310—C311	−1 (4)	C7B—C4B—C5B—C13B	1 (4)
C388—C387—C386—N330	−2 (4)	C7B—C4B—C3B—C2B	−178 (4)
C375—C374—C373—N325	−1 (4)	C7B—C12B—C11B—C10B	2 (7)
C322—C321—C324—N308	4 (2)	C15B—O3B—C12B—C11B	14 (8)
C322—C321—C324—N309	−175.5 (14)	C15B—O3B—C12B—C7B	−170 (6)
C322—C321—C320—C319	−1 (3)	C821—C820—C819—C824	54 (4)
C378—N326—C380—N328	1 (3)	C820—C821—C822—C823	53 (4)
C378—N326—C380—C388	−179.1 (17)	C820—C819—C824—C823	−53 (4)
C378—N327—C379—N328	−2 (3)	C819—C824—C823—C822	53 (5)
C378—N327—C379—C381	−176.8 (16)	C824—C823—C822—C821	−52 (5)
C378—C375—C374—C373	−178 (2)	C822—C821—C820—C819	−54 (4)
C378—C375—C376—C377	178.6 (19)	C802—C801—C806—C805	55 (4)
C380—N328—C379—N327	5 (3)	C801—C802—C803—C804	54 (4)
C380—N328—C379—C381	179.3 (16)	C801—C806—C805—C804	−56 (4)
C380—N326—C378—N327	2 (3)	C806—C805—C804—C803	56 (3)
C380—N326—C378—C375	−171.2 (17)	C805—C804—C803—C802	−55 (4)
C380—C388—C387—C386	−178 (2)	C803—C802—C801—C806	−54 (4)
C380—C388—C389—C390	178.1 (19)	C829—C828—C827—C826	54 (5)
C335—C334—C326—N310	25 (2)	C828—C829—C830—C825	49 (5)
C335—C334—C326—N308	−155.3 (16)	C828—C827—C826—C825	−57 (5)
C335—C334—C333—C332	−2 (3)	C827—C826—C825—C830	56 (5)
C337—N313—C341—C340	−1 (3)	C826—C825—C830—C829	−52 (5)
C337—C338—C339—C342	−178.7 (17)	C830—C829—C828—C827	−50 (5)
C337—C338—C339—C340	−2 (3)	C808—C807—C812—C811	57 (4)
C336—N312—C332—C333	1 (3)	C807—C808—C809—C810	52 (5)
C397—N334—C398—N333	−1 (3)	C807—C812—C811—C810	−58 (4)
C397—N334—C398—C406	−175.4 (18)	C812—C811—C810—C809	56 (4)
C397—N332—C396—N333	−2 (3)	C811—C810—C809—C808	−53 (4)
C397—N332—C396—C393	177.3 (19)	C809—C808—C807—C812	−55 (5)
C397—C399—C403—C402	−178 (3)	C833—C1O—C832—C831	51 (5)
C397—C399—C400—C401	178 (3)	C1O—C833—C834—C835	55 (5)
C351—C352—C344—N316	−169.8 (17)	C1O—C832—C831—C835	−52 (5)
C351—C352—C344—N314	11 (3)	C832—C831—C835—C834	54 (5)
C351—C352—C353—C354	−4 (3)	C831—C835—C834—C833	−56 (5)
C327—C328—C329—N311	2 (3)	C834—C833—C1O—C832	−53 (5)
C327—C331—C330—N311	−6 (3)	C815—C814—C813—C818	54 (5)
C316—C315—C314—N306	−4 (3)	C814—C815—C816—C817	56 (4)
C315—C316—C317—C318	−4 (3)	C814—C813—C818—C817	−53 (5)
C3A—C4A—C5A—C6A	3 (3)	C813—C818—C817—C816	54 (4)
C3A—C4A—C5A—C13A	179 (2)	C818—C817—C816—C815	−55 (4)
C346—C345—C349—C348	2 (3)	C816—C815—C814—C813	−55 (5)
C318—N306—C314—C315	5 (3)	C10B—C9B—C8B—C7B	0 (3)
C1A—C6A—C5A—C4A	0 (3)	C10B—C9B—C8B—O2B	−172 (7)
C1A—C6A—C5A—C13A	−177 (2)	C14B—O2B—C8B—C7B	−177 (7)
C381—C385—C384—N329	2 (3)	C14B—O2B—C8B—C9B	−5 (10)
C314—N306—C318—C317	−6 (3)	C840—C839—C838—C837	58 (5)
N324—C372—C371—C370	−1 (6)	C839—C840—C841—C836	58 (5)
N324—C368—C369—C370	0 (5)	C839—C838—C837—C836	−58 (4)
C328—C327—C331—C330	4 (3)	C838—C837—C836—C841	57 (5)
C333—C334—C326—N310	−156.1 (17)	C837—C836—C841—C840	−58 (5)
C333—C334—C326—N308	23 (2)	C841—C840—C839—C838	−58 (5)
C333—C334—C335—C336	1 (3)

Symmetry codes: (i) x, −y+1, z+1/2; (ii) x, −y+2, z+1/2; (iii) x+1/2, y+3/2, z+1; (iv) x, −y, z+1/2; (v) x−1/2, y−3/2, z−1; (vi) x, −y+2, z−1/2; (vii) x, −y, z−1/2; (viii) x, −y+1, z−1/2.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (50_1_24a)

Crystal data

C72H47.959I12N24Zn6·0.68(C15H16O3)	F(000) = 6209
Mr = 3330.36	Dx = 1.395 Mg m^−3
Monoclinic, P2/n	Cu Kα radiation, λ = 1.54184 Å
a = 31.4571 (13) Å	Cell parameters from 10977 reflections
b = 14.9918 (3) Å	θ = 2.7–67.8°
c = 34.3610 (12) Å	µ = 19.63 mm^−1
β = 101.834 (3)°	T = 100 K
V = 15860.2 (9) Å^3	Block, light yellow
Z = 4	0.23 × 0.15 × 0.08 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	28916 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	18549 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.057
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −37→37
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −17→18
Tmin = 0.100, Tmax = 0.329	l = −41→40
97907 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.114	H-atom parameters constrained
wR(F^2) = 0.348	w = 1/[σ^2(Fo^2) + (0.1381P)^2 + 193.4743P] where P = (Fo^2 + 2Fc^2)/3
S = 1.06	(Δ/σ)max = 0.004
28916 reflections	Δρmax = 1.17 e Å^−3
1563 parameters	Δρmin = −0.83 e Å^−3
494 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). Exchange site B was located over a two-fold symmetry axis and was modelled in PART -1. During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I312	0.4102 (3)	0.9931 (5)	0.6462 (3)	0.0993 (16)	0.5417
I402	0.1295 (6)	0.3961 (6)	−0.2316 (2)	0.111 (3)	0.350 (19)
I409	0.1412 (3)	0.9014 (8)	0.2746 (3)	0.0883 (17)	0.425 (3)
I401	0.0634 (4)	0.4882 (7)	−0.1370 (4)	0.203 (8)	0.350 (19)
I405	0.3918 (8)	0.4900 (10)	0.1382 (7)	0.141 (8)	0.2936
I307	0.2964 (3)	0.0198 (3)	0.4891 (3)	0.0894 (14)	0.4539
I410	0.0664 (2)	0.9968 (4)	0.36462 (19)	0.0934 (14)	0.425 (3)
I311	0.51422 (14)	0.8344 (5)	0.6027 (2)	0.1053 (13)	0.5417
I308	0.19769 (11)	0.0956 (2)	0.38289 (13)	0.0813 (9)	0.4539
I303	0.3296 (5)	−0.4591 (7)	0.0053 (4)	0.189 (6)	0.451
I304	0.22357 (15)	−0.4608 (3)	−0.10016 (17)	0.0870 (12)	0.451
I406	0.5022 (6)	0.3525 (19)	0.0998 (5)	0.153 (8)	0.2936
Zn41	0.0970 (4)	0.3699 (8)	−0.1726 (4)	0.0795 (13)	0.350 (19)
Zn45	0.1033 (3)	0.8749 (6)	0.3305 (2)	0.078 (3)	0.425 (3)
Zn36	0.4440 (3)	0.8501 (6)	0.6287 (2)	0.074 (3)	0.5417
Zn43	0.4295 (5)	0.3498 (10)	0.1227 (5)	0.068 (7)	0.2936
Zn34	0.2724 (3)	0.1138 (6)	0.4267 (3)	0.0723 (19)	0.4539
Zn32	0.2957 (5)	−0.4010 (6)	−0.0629 (5)	0.0860 (14)	0.451
N304	0.3111 (4)	0.0576 (5)	−0.0201 (3)	0.065 (3)
N309	0.4655 (4)	0.0235 (7)	0.2714 (3)	0.067 (3)
N302	0.2707 (4)	0.1916 (6)	−0.0368 (3)	0.069 (3)
N321	0.4811 (4)	0.5181 (6)	0.7756 (3)	0.070 (3)
N311	0.5441 (4)	−0.2601 (7)	0.3149 (4)	0.075 (4)
N316	0.2751 (4)	0.7014 (7)	0.4764 (4)	0.077 (4)
N320	0.4254 (5)	0.6019 (8)	0.7959 (4)	0.079 (4)
N303	0.2507 (4)	0.0613 (6)	−0.0741 (3)	0.068 (3)
N301	0.1397 (4)	0.2867 (7)	−0.1348 (4)	0.085 (4)
C325	0.4611 (5)	−0.0329 (8)	0.3007 (4)	0.062 (3)
N315	0.2526 (4)	0.5738 (6)	0.4365 (4)	0.079 (4)
N314	0.3113 (4)	0.5621 (6)	0.4919 (4)	0.079 (4)
N308	0.4099 (5)	0.1076 (8)	0.2909 (4)	0.083 (4)
C361	0.4756 (5)	0.4586 (9)	0.8046 (4)	0.067 (4)
N305	0.2888 (6)	−0.2614 (7)	−0.0598 (5)	0.092 (4)
N310	0.4346 (4)	−0.0247 (8)	0.3247 (4)	0.072 (3)
N307	0.4377 (5)	0.2658 (8)	0.1701 (3)	0.085 (4)
N319	0.4537 (5)	0.7666 (9)	0.6766 (4)	0.082 (4)
N323	0.5558 (5)	0.2279 (8)	0.8184 (4)	0.086 (4)
N317	0.1463 (5)	0.8044 (7)	0.3731 (4)	0.091 (5)
N322	0.4499 (5)	0.4672 (8)	0.8295 (4)	0.080 (4)
C306	0.2473 (4)	0.1488 (7)	−0.0664 (4)	0.059 (3)
N306	0.3884 (5)	0.2815 (7)	0.0785 (4)	0.092 (5)
C324	0.4380 (5)	0.0924 (9)	0.2677 (4)	0.070 (4)
C327	0.4889 (5)	−0.1156 (9)	0.3046 (4)	0.066 (4)
N313	0.2792 (5)	0.2486 (8)	0.4419 (5)	0.095 (4)
C360	0.4535 (5)	0.5867 (8)	0.7720 (4)	0.067 (4)
C357	0.4550 (5)	0.6523 (8)	0.7406 (5)	0.072 (4)
N318	0.3973 (5)	0.7814 (8)	0.5878 (4)	0.089 (4)
N324	0.3370 (7)	0.5800 (9)	0.9029 (5)	0.100 (5)
C308	0.3041 (5)	0.1447 (9)	−0.0143 (4)	0.069 (4)
C309	0.2863 (5)	−0.0788 (7)	−0.0540 (4)	0.070 (4)
C316	0.3334 (5)	0.1920 (8)	0.0176 (4)	0.069 (4)
C303	0.2092 (5)	0.1971 (8)	−0.0903 (4)	0.075 (4)
C321	0.4369 (6)	0.1546 (9)	0.2344 (4)	0.075 (4)
C307	0.2818 (5)	0.0204 (8)	−0.0496 (4)	0.069 (4)
C365	0.5556 (6)	0.2828 (10)	0.7880 (5)	0.092 (5)
H365	0.574184	0.270419	0.770087	0.111*
C363	0.5033 (5)	0.3768 (8)	0.8086 (4)	0.069 (4)
C344	0.3065 (5)	0.6505 (9)	0.4977 (4)	0.071 (4)
C352	0.3364 (5)	0.6959 (8)	0.5294 (4)	0.078 (5)
C329	0.5395 (5)	−0.2092 (10)	0.2821 (5)	0.075 (4)
H329	0.555455	−0.222466	0.262142	0.090*
C304	0.2018 (5)	0.2847 (9)	−0.0818 (5)	0.081 (5)
H304	0.220293	0.314641	−0.060527	0.098*
C364	0.5293 (6)	0.3574 (11)	0.7817 (5)	0.090 (5)
H364	0.528999	0.394596	0.759229	0.109*
C343	0.2502 (5)	0.6621 (8)	0.4453 (4)	0.071 (4)
C349	0.2072 (5)	0.8008 (9)	0.4275 (5)	0.080 (5)
H349	0.225947	0.831518	0.448449	0.097*
C356	0.4822 (7)	0.6425 (11)	0.7159 (5)	0.088 (5)
H356	0.503081	0.595845	0.720221	0.106*
C312	0.3114 (8)	−0.2190 (10)	−0.0288 (6)	0.104 (6)
H312	0.327690	−0.253231	−0.007688	0.125*
N312	0.3211 (6)	0.0944 (9)	0.3959 (5)	0.104 (5)
C339	0.2836 (6)	0.4314 (9)	0.4551 (5)	0.079 (4)
C314	0.3537 (6)	0.3199 (9)	0.0573 (4)	0.084 (5)
H314	0.347962	0.379821	0.063589	0.101*
C345	0.2136 (5)	0.7120 (8)	0.4211 (4)	0.076 (4)
C302	0.1818 (6)	0.1562 (9)	−0.1217 (5)	0.090 (6)
H302	0.186321	0.095880	−0.128360	0.109*
C326	0.4090 (6)	0.0467 (10)	0.3181 (4)	0.084 (5)
C328	0.5117 (5)	−0.1383 (10)	0.2777 (5)	0.079 (4)
H328	0.508519	−0.103585	0.254122	0.095*
C318	0.3960 (7)	0.1971 (9)	0.0696 (5)	0.112 (8)
H318	0.420902	0.168891	0.084961	0.134*
C342	0.2825 (6)	0.5290 (9)	0.4617 (5)	0.078 (4)
C311	0.2662 (6)	−0.2154 (10)	−0.0878 (5)	0.087 (5)
H311	0.250941	−0.245098	−0.110911	0.105*
C353	0.3329 (6)	0.7850 (10)	0.5378 (5)	0.090 (5)
H353	0.309019	0.818671	0.523836	0.108*
C320	0.4702 (7)	0.1595 (11)	0.2157 (6)	0.096 (5)
H320	0.495300	0.124568	0.225551	0.115*
C334	0.3774 (6)	0.0627 (11)	0.3455 (5)	0.090 (5)
C313	0.3124 (6)	−0.1292 (9)	−0.0256 (5)	0.085 (5)
H313	0.331208	−0.101276	−0.003808	0.102*
C354	0.3636 (6)	0.8252 (10)	0.5660 (5)	0.094 (6)
H354	0.360944	0.887261	0.570498	0.113*
C351	0.3728 (6)	0.6491 (9)	0.5529 (6)	0.108 (7)
H351	0.377093	0.587479	0.548595	0.130*
C355	0.4804 (7)	0.7018 (11)	0.6827 (5)	0.093 (5)
H355	0.499505	0.692374	0.664968	0.112*
C331	0.4915 (6)	−0.1700 (11)	0.3359 (6)	0.094 (5)
H331	0.474226	−0.159328	0.355109	0.113*
C337	0.2584 (7)	0.3037 (11)	0.4157 (6)	0.104 (6)
H337	0.242366	0.281090	0.391193	0.125*
C310	0.2634 (6)	−0.1241 (9)	−0.0857 (5)	0.082 (5)
H310	0.245148	−0.092380	−0.106636	0.099*
C358	0.4295 (7)	0.7254 (14)	0.7353 (7)	0.122 (8)
H358	0.411771	0.739164	0.753794	0.147*
C317	0.3705 (6)	0.1481 (10)	0.0401 (6)	0.111 (7)
H317	0.377310	0.088133	0.034885	0.133*
C305	0.1665 (5)	0.3285 (9)	−0.1052 (6)	0.096 (6)
H305	0.161354	0.389343	−0.099943	0.115*
C315	0.3251 (6)	0.2796 (9)	0.0265 (4)	0.083 (5)
H315	0.300569	0.310677	0.012043	0.100*
C346	0.1869 (7)	0.6703 (9)	0.3891 (6)	0.122 (9)
H346	0.192079	0.610765	0.381827	0.146*
C330	0.5197 (6)	−0.2420 (12)	0.3398 (6)	0.095 (5)
H330	0.521154	−0.280243	0.362083	0.114*
C338	0.2591 (7)	0.3936 (9)	0.4224 (5)	0.097 (6)
H338	0.241698	0.431135	0.403217	0.116*
C341	0.3047 (7)	0.2794 (11)	0.4733 (7)	0.106 (6)
H341	0.321310	0.238922	0.491672	0.127*
C359	0.4294 (7)	0.7816 (13)	0.7023 (9)	0.128 (9)
H359	0.410829	0.832169	0.698647	0.154*
C350	0.4003 (7)	0.6938 (8)	0.5806 (6)	0.122 (9)
H350	0.423597	0.661590	0.596328	0.146*
C319	0.4699 (7)	0.2147 (13)	0.1818 (6)	0.111 (7)
H319	0.493303	0.213099	0.168178	0.133*
C370	0.3935 (6)	0.5535 (10)	0.8515 (6)	0.093 (5)
C362	0.4248 (6)	0.5394 (10)	0.8235 (5)	0.083 (5)
C301	0.1485 (6)	0.2033 (9)	−0.1428 (6)	0.108 (7)
H301	0.130161	0.174899	−0.164755	0.130*
C369	0.3586 (8)	0.6109 (15)	0.8407 (7)	0.122 (8)
H369	0.353154	0.642291	0.816114	0.147*
C336	0.3551 (8)	0.0419 (14)	0.4071 (6)	0.114 (7)
H336	0.361082	0.017941	0.433266	0.137*
C348	0.1736 (6)	0.8450 (10)	0.4034 (5)	0.096 (6)
H348	0.169427	0.906410	0.408211	0.116*
C335	0.3821 (8)	0.0214 (13)	0.3814 (6)	0.115 (7)
H335	0.404224	−0.022095	0.388851	0.138*
C368	0.3315 (9)	0.6196 (13)	0.8686 (8)	0.122 (8)
H368	0.307023	0.657969	0.861645	0.146*
O3A	0.6079 (6)	0.0725 (14)	0.2326 (7)	0.089 (6)	0.5115
C340	0.3085 (7)	0.3733 (11)	0.4812 (6)	0.100 (6)
H340	0.328049	0.395067	0.504024	0.120*
C347	0.1526 (7)	0.7190 (12)	0.3682 (6)	0.133 (10)
H347	0.131799	0.688431	0.348846	0.159*
O2A	0.7442 (7)	0.0267 (15)	0.3152 (6)	0.098 (7)	0.5115
C332	0.3175 (8)	0.1367 (15)	0.3624 (8)	0.129 (8)
H332	0.294537	0.178649	0.355460	0.154*
C367	0.5012 (8)	0.3178 (12)	0.8376 (7)	0.122 (8)
H367	0.480878	0.325571	0.854329	0.147*
C371	0.3990 (9)	0.5115 (14)	0.8873 (7)	0.125 (8)
H371	0.422062	0.469978	0.894651	0.150*
C333	0.3446 (8)	0.1246 (15)	0.3366 (7)	0.123 (8)
H333	0.340901	0.158552	0.312804	0.147*
C372	0.3725 (8)	0.5276 (15)	0.9122 (6)	0.111 (7)
H372	0.378894	0.500794	0.937820	0.134*
C4A	0.6797 (8)	0.1431 (12)	0.2832 (6)	0.065 (6)	0.5115
C366	0.5301 (9)	0.2432 (13)	0.8427 (8)	0.125 (8)
H366	0.530549	0.203977	0.864524	0.150*	0.959 (3)
C3A	0.6757 (7)	0.1717 (12)	0.3206 (6)	0.058 (6)	0.5115
H3A	0.672779	0.129181	0.340399	0.069*	0.5115
C7A	0.6763 (7)	0.0455 (11)	0.2732 (6)	0.068 (6)	0.5115
C1A	0.6842 (7)	0.3239 (15)	0.3020 (7)	0.071 (7)	0.5115
H1A	0.687346	0.385302	0.308831	0.085*	0.5115
O1A	0.7094 (6)	0.2357 (14)	0.1929 (6)	0.090 (7)	0.5115
H1AA	0.715899	0.210556	0.172995	0.136*	0.5115
C5A	0.6860 (9)	0.2056 (12)	0.2548 (6)	0.078 (7)	0.5115
C12A	0.6400 (7)	0.0124 (13)	0.2483 (6)	0.071 (6)	0.5115
C9A	0.7043 (10)	−0.1017 (14)	0.2829 (8)	0.086 (8)	0.5115
H9A	0.726554	−0.141361	0.295304	0.104*	0.5115
C8A	0.7087 (8)	−0.0119 (11)	0.2907 (7)	0.075 (7)	0.5115
C2A	0.6760 (8)	0.2621 (12)	0.3294 (8)	0.070 (7)	0.5115
H2A	0.670553	0.281471	0.354207	0.084*	0.5115
C6A	0.6877 (9)	0.2954 (13)	0.2647 (8)	0.087 (8)	0.5115
H6A	0.691317	0.338180	0.245226	0.105*	0.5115
C422	0.424 (2)	0.243 (2)	0.2348 (11)	0.114 (8)	0.34 (3)
H422	0.417032	0.269053	0.258073	0.137*	0.34 (3)
C423	0.421 (2)	0.293 (3)	0.1998 (12)	0.114 (8)	0.34 (3)
H423	0.405580	0.348716	0.197576	0.137*	0.34 (3)
C14A	0.7826 (12)	−0.027 (3)	0.3291 (11)	0.124 (15)	0.5115
H14A	0.793540	−0.049279	0.306252	0.186*	0.5115
H14B	0.775396	−0.076751	0.344812	0.186*	0.5115
H14C	0.805024	0.010289	0.345661	0.186*	0.5115
C11A	0.6364 (11)	−0.0776 (14)	0.2413 (9)	0.091 (8)	0.5115
H11A	0.610780	−0.100299	0.224656	0.109*	0.5115
C10A	0.6686 (9)	−0.1351 (19)	0.2577 (7)	0.086 (8)	0.5115
H10A	0.666265	−0.197036	0.251674	0.103*	0.5115
C13A	0.6887 (11)	0.1733 (16)	0.2140 (7)	0.095 (9)	0.5115
H13A	0.704957	0.116322	0.216428	0.114*	0.5115
H13B	0.658990	0.161532	0.198694	0.114*	0.5115
I412	0.4199 (3)	0.9924 (5)	0.6383 (3)	0.135 (4)	0.4363
Zn46	0.4491 (4)	0.8408 (7)	0.6256 (3)	0.109 (6)	0.4363
I411	0.5167 (4)	0.8170 (9)	0.5967 (3)	0.198 (6)	0.4363
I309	0.1297 (3)	0.9007 (9)	0.2736 (3)	0.157 (4)	0.533 (3)
Zn35	0.0981 (3)	0.8741 (4)	0.3339 (3)	0.111 (4)	0.533 (3)
I310	0.0610 (3)	0.9805 (5)	0.3733 (3)	0.193 (6)	0.533 (3)
I301	0.06194 (11)	0.4680 (4)	−0.1276 (2)	0.1112 (17)	0.650 (19)
Zn31	0.0877 (3)	0.3547 (5)	−0.17236 (19)	0.0795 (13)	0.650 (19)
I302	0.11772 (15)	0.3942 (4)	−0.23296 (17)	0.1283 (19)	0.650 (19)
I305	0.3992 (5)	0.4958 (6)	0.1331 (4)	0.109 (3)	0.3775
Zn33	0.4312 (4)	0.3462 (9)	0.1222 (4)	0.107 (9)	0.3775
I306	0.5029 (2)	0.3240 (10)	0.0983 (3)	0.104 (3)	0.3775
I407	0.3150 (4)	0.0312 (5)	0.5017 (3)	0.267 (7)	0.446
Zn44	0.2832 (4)	0.1099 (6)	0.4370 (3)	0.181 (8)	0.446
I408	0.2082 (3)	0.0700 (4)	0.3975 (3)	0.260 (6)	0.446
I505	0.4088 (6)	0.4866 (9)	0.1376 (5)	0.302 (13)	0.3289
Zn53	0.4417 (7)	0.3442 (13)	0.1183 (8)	0.122 (9)	0.3289
I506	0.5143 (7)	0.321 (3)	0.0963 (6)	0.284 (15)	0.3289
I403	0.3281 (3)	−0.4660 (6)	0.0073 (2)	0.088 (2)	0.3448
Zn42	0.2938 (7)	−0.4017 (8)	−0.0596 (6)	0.0860 (14)	0.3448
I404	0.2183 (4)	−0.4491 (7)	−0.0943 (5)	0.204 (7)	0.3448
I512	0.4517 (18)	0.989 (3)	0.6150 (15)	0.080*	0.022
Zn56	0.471 (3)	0.826 (4)	0.618 (4)	0.080*	0.022
I511	0.5366 (18)	0.828 (4)	0.5849 (18)	0.080*	0.022
I503	0.2906 (5)	−0.4832 (7)	−0.0182 (3)	0.144 (4)	0.2042
I504	0.1931 (4)	−0.4153 (7)	−0.1266 (4)	0.175 (6)	0.2042
Zn52	0.2648 (5)	−0.3911 (7)	−0.0803 (4)	0.106 (5)	0.2042
I508	0.2049 (5)	0.0937 (10)	0.3657 (4)	0.080*	0.1
I507	0.2916 (11)	0.0130 (18)	0.4887 (8)	0.080*	0.1
Zn54	0.2672 (15)	0.105 (3)	0.4257 (12)	0.080*	0.1
I510	0.0632 (14)	0.968 (3)	0.3897 (14)	0.080*	0.041 (3)
I509	0.1287 (19)	0.927 (3)	0.2895 (12)	0.080*	0.041 (3)
Zn55	0.0906 (12)	0.865 (4)	0.3408 (11)	0.080*	0.041 (3)
C15A	0.5690 (10)	0.040 (3)	0.2071 (14)	0.133 (15)	0.5115
H15A	0.571110	0.047571	0.179277	0.200*	0.5115
H15B	0.543855	0.072541	0.212292	0.200*	0.5115
H15C	0.565551	−0.024039	0.212412	0.200*	0.5115
C323	0.4011 (10)	0.251 (2)	0.1825 (9)	0.114 (8)	0.66 (3)
H323	0.374772	0.274066	0.167253	0.137*	0.66 (3)
C322	0.3998 (10)	0.203 (2)	0.2173 (9)	0.114 (8)	0.66 (3)
H322	0.374788	0.203435	0.228795	0.137*	0.66 (3)
C4B	0.2386 (19)	0.246 (3)	0.2563 (15)	0.152 (18)	0.1681
C5B	0.2621 (17)	0.257 (4)	0.2266 (13)	0.147 (19)	0.1681
C6B	0.280 (2)	0.184 (5)	0.2115 (17)	0.15 (2)	0.1681
H6B	0.296474	0.191234	0.191209	0.178*	0.1681
C1B	0.275 (3)	0.099 (4)	0.226 (2)	0.15 (2)	0.1681
H1B	0.287511	0.048599	0.215989	0.183*	0.1681
C2B	0.251 (3)	0.088 (3)	0.256 (2)	0.15 (2)	0.1681
H2B	0.247852	0.029759	0.266053	0.181*	0.1681
C3B	0.233 (3)	0.161 (4)	0.2710 (19)	0.15 (2)	0.1681
H3B	0.217158	0.153555	0.291337	0.178*	0.1681
C7B	0.2223 (16)	0.326 (4)	0.2748 (13)	0.160 (18)	0.1681
C12B	0.2494 (18)	0.370 (4)	0.3060 (13)	0.143 (18)	0.1681
C11B	0.239 (3)	0.455 (4)	0.3174 (18)	0.15 (2)	0.1681
H11B	0.257153	0.484327	0.338733	0.181*	0.1681
C10B	0.201 (3)	0.495 (4)	0.298 (2)	0.15 (2)	0.1681
H10B	0.193335	0.553326	0.305271	0.180*	0.1681
C9B	0.174 (2)	0.452 (4)	0.266 (2)	0.15 (2)	0.1681
H9B	0.147709	0.479869	0.252670	0.182*	0.1681
C8B	0.1844 (16)	0.367 (4)	0.2549 (15)	0.154 (19)	0.1681
O3B	0.286 (2)	0.324 (5)	0.3235 (17)	0.128 (18)	0.1681
O2B	0.159 (2)	0.323 (5)	0.224 (2)	0.15 (2)	0.1681
O1B	0.298 (2)	0.354 (6)	0.1868 (19)	0.17 (2)	0.1681
H1BA	0.298217	0.305641	0.174346	0.253*	0.1681
C13B	0.266 (2)	0.350 (4)	0.211 (2)	0.15 (2)	0.1681
H13C	0.237919	0.368934	0.194792	0.180*	0.1681
H13D	0.274358	0.391770	0.233356	0.180*	0.1681
C15B	0.323 (2)	0.373 (8)	0.344 (2)	0.14 (3)	0.1681
H15D	0.326173	0.364162	0.372616	0.208*	0.1681
H15E	0.318668	0.436237	0.337517	0.208*	0.1681
H15F	0.348872	0.351235	0.335361	0.208*	0.1681
C14B	0.148 (6)	0.367 (9)	0.186 (2)	0.18 (4)	0.1681
H14D	0.148372	0.431861	0.190105	0.269*	0.1681
H14E	0.118939	0.348609	0.172158	0.269*	0.1681
H14F	0.169301	0.350950	0.170134	0.269*	0.1681

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I312	0.127 (3)	0.045 (2)	0.111 (2)	−0.0032 (17)	−0.0103 (19)	−0.0082 (15)
I402	0.151 (8)	0.068 (3)	0.108 (4)	0.018 (4)	0.013 (4)	0.023 (3)
I409	0.076 (2)	0.074 (3)	0.099 (4)	−0.008 (2)	−0.018 (3)	0.026 (2)
I401	0.301 (15)	0.036 (3)	0.191 (7)	0.014 (4)	−0.139 (9)	−0.009 (4)
I405	0.235 (18)	0.049 (7)	0.098 (8)	0.029 (8)	−0.060 (9)	−0.021 (6)
I307	0.123 (4)	0.0265 (14)	0.130 (3)	0.0173 (16)	0.052 (2)	0.0158 (15)
I410	0.104 (2)	0.0273 (18)	0.124 (3)	0.0019 (16)	−0.0343 (19)	−0.0142 (16)
I311	0.099 (2)	0.129 (3)	0.085 (2)	−0.0331 (19)	0.0120 (17)	−0.006 (2)
I308	0.0928 (18)	0.0386 (15)	0.109 (2)	−0.0055 (13)	0.0136 (16)	−0.0115 (14)
I303	0.375 (15)	0.059 (4)	0.163 (8)	0.098 (6)	0.129 (8)	0.066 (4)
I304	0.094 (2)	0.0257 (14)	0.141 (3)	−0.0055 (13)	0.022 (2)	0.0063 (17)
I406	0.206 (13)	0.185 (16)	0.062 (4)	−0.144 (10)	0.011 (5)	−0.018 (6)
Zn41	0.070 (3)	0.029 (2)	0.1136 (17)	−0.021 (2)	−0.0411 (18)	0.0121 (14)
Zn45	0.060 (3)	0.061 (6)	0.087 (5)	−0.015 (3)	−0.047 (3)	0.019 (4)
Zn36	0.100 (5)	0.051 (4)	0.060 (4)	−0.014 (3)	−0.007 (4)	0.007 (3)
Zn43	0.096 (12)	0.055 (11)	0.046 (10)	−0.026 (8)	0.001 (8)	0.005 (7)
Zn34	0.087 (4)	0.027 (3)	0.101 (4)	0.004 (2)	0.017 (3)	−0.001 (3)
Zn32	0.139 (3)	0.0232 (11)	0.104 (3)	0.0077 (14)	0.044 (2)	0.0107 (13)
N304	0.098 (8)	0.010 (4)	0.072 (7)	0.003 (4)	−0.021 (6)	0.004 (4)
N309	0.091 (8)	0.049 (6)	0.050 (6)	0.004 (6)	−0.016 (5)	0.006 (5)
N302	0.091 (8)	0.018 (4)	0.078 (7)	0.000 (5)	−0.025 (6)	0.019 (4)
N321	0.094 (8)	0.027 (5)	0.078 (7)	0.005 (5)	−0.013 (6)	0.005 (5)
N311	0.090 (9)	0.041 (6)	0.078 (8)	0.004 (6)	−0.019 (7)	0.006 (6)
N316	0.102 (9)	0.034 (5)	0.078 (7)	−0.006 (6)	−0.024 (7)	0.018 (5)
N320	0.095 (9)	0.053 (7)	0.077 (8)	0.006 (6)	−0.007 (7)	−0.008 (6)
N303	0.098 (8)	0.020 (4)	0.069 (7)	−0.010 (5)	−0.023 (6)	0.007 (4)
N301	0.096 (8)	0.034 (6)	0.094 (8)	−0.015 (6)	−0.049 (7)	0.010 (5)
C325	0.085 (9)	0.029 (6)	0.062 (8)	0.005 (6)	−0.007 (7)	0.004 (5)
N315	0.109 (9)	0.022 (5)	0.086 (8)	−0.001 (5)	−0.024 (7)	0.013 (5)
N314	0.097 (8)	0.023 (5)	0.095 (8)	−0.005 (5)	−0.029 (7)	0.013 (5)
N308	0.119 (11)	0.056 (7)	0.067 (7)	0.026 (7)	0.003 (7)	0.008 (6)
C361	0.080 (9)	0.041 (7)	0.069 (8)	0.005 (6)	−0.012 (7)	0.002 (6)
N305	0.149 (13)	0.029 (6)	0.098 (10)	0.005 (7)	0.022 (9)	0.004 (6)
N310	0.092 (9)	0.052 (7)	0.064 (7)	0.008 (6)	−0.007 (6)	0.006 (5)
N307	0.123 (11)	0.059 (7)	0.053 (6)	−0.016 (7)	−0.026 (7)	0.017 (5)
N319	0.106 (10)	0.067 (8)	0.068 (8)	0.005 (8)	0.005 (7)	0.022 (6)
N323	0.116 (11)	0.044 (7)	0.080 (9)	0.005 (7)	−0.021 (8)	0.015 (6)
N317	0.107 (10)	0.038 (6)	0.098 (9)	−0.012 (6)	−0.047 (8)	0.009 (6)
N322	0.093 (9)	0.051 (7)	0.087 (9)	0.002 (6)	−0.003 (7)	−0.004 (6)
C306	0.068 (7)	0.025 (5)	0.070 (8)	0.001 (5)	−0.021 (6)	0.012 (5)
N306	0.129 (11)	0.033 (6)	0.082 (8)	−0.012 (6)	−0.052 (8)	0.019 (5)
C324	0.098 (10)	0.048 (7)	0.052 (7)	0.010 (7)	−0.012 (7)	0.015 (6)
C327	0.081 (9)	0.048 (7)	0.057 (7)	0.003 (6)	−0.018 (7)	0.012 (6)
N313	0.124 (12)	0.036 (6)	0.119 (12)	0.002 (7)	0.015 (10)	0.004 (7)
C360	0.094 (10)	0.036 (6)	0.059 (8)	−0.006 (6)	−0.015 (7)	−0.005 (5)
C357	0.101 (11)	0.030 (6)	0.075 (9)	−0.002 (6)	−0.001 (8)	−0.005 (6)
N318	0.108 (10)	0.044 (6)	0.091 (9)	−0.012 (6)	−0.035 (7)	0.016 (6)
N324	0.175 (17)	0.047 (7)	0.087 (10)	−0.019 (9)	0.043 (10)	−0.008 (7)
C308	0.089 (9)	0.040 (7)	0.065 (8)	−0.004 (6)	−0.012 (7)	0.006 (6)
C309	0.110 (11)	0.021 (5)	0.071 (8)	0.000 (6)	−0.002 (8)	0.006 (5)
C316	0.095 (10)	0.028 (6)	0.067 (8)	−0.008 (6)	−0.026 (7)	0.014 (5)
C303	0.091 (10)	0.026 (6)	0.086 (9)	−0.007 (6)	−0.031 (8)	0.026 (6)
C321	0.110 (12)	0.036 (7)	0.069 (9)	0.014 (7)	−0.007 (8)	0.010 (6)
C307	0.090 (9)	0.027 (6)	0.074 (8)	−0.008 (6)	−0.022 (7)	0.001 (5)
C365	0.116 (13)	0.046 (8)	0.098 (12)	0.005 (8)	−0.019 (10)	−0.006 (8)
C363	0.092 (10)	0.038 (7)	0.070 (9)	0.003 (6)	−0.005 (8)	0.009 (6)
C344	0.082 (9)	0.053 (8)	0.069 (8)	−0.003 (7)	−0.009 (7)	0.018 (6)
C352	0.106 (11)	0.030 (6)	0.079 (9)	−0.008 (7)	−0.024 (8)	0.021 (6)
C329	0.071 (9)	0.054 (8)	0.089 (10)	−0.009 (7)	−0.010 (7)	−0.019 (7)
C304	0.088 (10)	0.041 (7)	0.092 (10)	−0.006 (7)	−0.033 (8)	0.015 (7)
C364	0.123 (14)	0.060 (9)	0.070 (9)	0.010 (9)	−0.024 (9)	0.021 (8)
C343	0.095 (10)	0.028 (6)	0.079 (9)	−0.009 (6)	−0.009 (8)	0.016 (6)
C349	0.097 (11)	0.040 (7)	0.085 (10)	0.002 (7)	−0.028 (8)	−0.002 (6)
C356	0.128 (14)	0.060 (9)	0.070 (9)	0.020 (9)	0.007 (10)	0.018 (7)
C312	0.18 (2)	0.038 (8)	0.091 (12)	0.022 (10)	0.014 (12)	0.012 (8)
N312	0.176 (17)	0.039 (7)	0.102 (11)	0.019 (9)	0.039 (11)	−0.004 (7)
C339	0.106 (12)	0.041 (7)	0.079 (9)	−0.002 (7)	−0.004 (8)	0.004 (7)
C314	0.128 (13)	0.031 (6)	0.071 (9)	−0.014 (7)	−0.027 (9)	−0.003 (6)
C345	0.100 (10)	0.032 (6)	0.076 (9)	0.002 (6)	−0.029 (8)	0.014 (6)
C302	0.108 (12)	0.030 (6)	0.107 (12)	0.002 (7)	−0.040 (10)	0.002 (7)
C326	0.119 (13)	0.062 (9)	0.059 (8)	0.012 (9)	−0.011 (8)	0.004 (7)
C328	0.094 (11)	0.059 (9)	0.068 (9)	0.004 (8)	−0.020 (8)	0.002 (7)
C318	0.147 (15)	0.029 (7)	0.115 (13)	−0.005 (8)	−0.077 (12)	0.007 (7)
C342	0.106 (11)	0.031 (6)	0.087 (10)	−0.002 (7)	−0.005 (9)	0.010 (6)
C311	0.127 (14)	0.047 (8)	0.080 (10)	−0.020 (9)	0.002 (9)	−0.006 (7)
C353	0.109 (12)	0.048 (8)	0.095 (11)	0.014 (8)	−0.024 (9)	0.000 (7)
C320	0.112 (14)	0.059 (10)	0.111 (14)	0.008 (9)	0.011 (11)	0.036 (9)
C334	0.115 (13)	0.056 (9)	0.098 (12)	0.024 (9)	0.018 (10)	0.004 (8)
C313	0.135 (14)	0.032 (7)	0.080 (10)	0.009 (8)	0.003 (9)	−0.001 (6)
C354	0.114 (13)	0.040 (7)	0.106 (12)	0.010 (8)	−0.030 (10)	0.011 (8)
C351	0.113 (13)	0.035 (7)	0.140 (15)	0.004 (8)	−0.061 (11)	0.034 (8)
C355	0.126 (14)	0.070 (10)	0.072 (10)	0.025 (10)	−0.004 (9)	0.007 (8)
C331	0.100 (12)	0.065 (10)	0.115 (13)	0.024 (9)	0.014 (10)	0.046 (9)
C337	0.160 (18)	0.045 (9)	0.101 (13)	−0.007 (10)	0.012 (12)	0.001 (8)
C310	0.102 (11)	0.040 (7)	0.095 (11)	−0.007 (7)	−0.006 (9)	0.004 (7)
C358	0.130 (17)	0.092 (14)	0.16 (2)	0.046 (12)	0.062 (15)	0.068 (14)
C317	0.125 (14)	0.040 (8)	0.131 (15)	0.005 (8)	−0.060 (12)	0.001 (8)
C305	0.091 (11)	0.036 (7)	0.133 (14)	−0.001 (7)	−0.040 (10)	−0.001 (8)
C315	0.120 (13)	0.043 (7)	0.065 (8)	0.000 (8)	−0.029 (8)	0.004 (6)
C346	0.159 (17)	0.020 (6)	0.140 (16)	−0.001 (8)	−0.077 (14)	−0.002 (7)
C330	0.109 (13)	0.078 (12)	0.089 (12)	0.009 (10)	0.001 (10)	0.027 (10)
C338	0.143 (15)	0.026 (6)	0.104 (12)	−0.009 (8)	−0.014 (11)	−0.007 (7)
C341	0.139 (17)	0.046 (9)	0.126 (16)	0.021 (10)	0.014 (14)	0.016 (10)
C359	0.108 (15)	0.065 (12)	0.21 (3)	0.018 (11)	0.026 (16)	0.065 (15)
C350	0.153 (16)	0.020 (6)	0.139 (15)	−0.012 (8)	−0.095 (13)	0.022 (7)
C319	0.119 (15)	0.089 (13)	0.110 (14)	0.013 (11)	−0.010 (12)	0.051 (11)
C370	0.115 (14)	0.038 (8)	0.130 (15)	−0.004 (8)	0.033 (12)	−0.006 (9)
C362	0.116 (13)	0.056 (9)	0.069 (9)	−0.008 (9)	0.002 (9)	−0.005 (7)
C301	0.104 (12)	0.036 (7)	0.147 (16)	0.002 (8)	−0.062 (12)	0.000 (8)
C369	0.15 (2)	0.108 (17)	0.117 (16)	0.028 (15)	0.051 (15)	0.034 (13)
C336	0.18 (2)	0.100 (15)	0.080 (12)	0.031 (15)	0.061 (13)	0.025 (11)
C348	0.102 (12)	0.042 (7)	0.116 (13)	0.000 (8)	−0.046 (10)	−0.007 (8)
C335	0.17 (2)	0.080 (12)	0.103 (14)	0.040 (13)	0.033 (14)	0.046 (11)
C368	0.16 (2)	0.058 (11)	0.15 (2)	0.021 (12)	0.050 (17)	0.009 (12)
O3A	0.083 (13)	0.075 (13)	0.109 (15)	−0.014 (11)	0.023 (11)	−0.009 (11)
C340	0.139 (16)	0.056 (9)	0.098 (12)	0.007 (10)	0.006 (11)	0.008 (9)
C347	0.141 (17)	0.065 (11)	0.138 (16)	0.002 (11)	−0.097 (14)	−0.006 (10)
O2A	0.138 (18)	0.082 (14)	0.070 (12)	0.046 (13)	0.014 (12)	0.005 (10)
C332	0.14 (2)	0.096 (15)	0.15 (2)	0.054 (14)	0.048 (17)	0.024 (15)
C367	0.131 (17)	0.068 (12)	0.17 (2)	0.013 (11)	0.025 (15)	0.053 (13)
C371	0.18 (2)	0.084 (13)	0.119 (16)	0.025 (14)	0.057 (17)	0.038 (12)
C333	0.148 (19)	0.116 (17)	0.108 (15)	0.070 (15)	0.036 (14)	0.048 (13)
C372	0.16 (2)	0.098 (15)	0.086 (13)	0.014 (15)	0.048 (13)	−0.004 (11)
C4A	0.066 (13)	0.036 (11)	0.088 (15)	0.011 (10)	0.004 (12)	0.016 (11)
C366	0.16 (2)	0.059 (11)	0.15 (2)	0.032 (13)	0.016 (17)	0.032 (12)
C3A	0.058 (12)	0.021 (9)	0.080 (14)	0.006 (9)	−0.018 (11)	−0.002 (9)
C7A	0.095 (15)	0.022 (10)	0.086 (15)	0.008 (10)	0.017 (13)	0.014 (10)
C1A	0.045 (11)	0.037 (12)	0.116 (19)	−0.003 (10)	−0.013 (13)	−0.001 (13)
O1A	0.066 (11)	0.082 (14)	0.110 (16)	0.014 (10)	−0.012 (10)	0.047 (12)
C5A	0.065 (13)	0.059 (13)	0.106 (17)	0.010 (12)	0.008 (13)	0.028 (13)
C12A	0.098 (16)	0.039 (12)	0.086 (15)	−0.014 (12)	0.041 (13)	0.001 (11)
C9A	0.14 (2)	0.053 (14)	0.076 (16)	0.021 (15)	0.036 (16)	0.012 (13)
C8A	0.126 (18)	0.024 (10)	0.080 (15)	0.010 (12)	0.033 (14)	0.016 (10)
C2A	0.051 (12)	0.052 (13)	0.092 (16)	0.013 (11)	−0.019 (12)	−0.014 (12)
C6A	0.055 (13)	0.063 (15)	0.13 (2)	−0.002 (12)	−0.006 (15)	0.021 (16)
C422	0.122 (18)	0.097 (17)	0.110 (16)	0.030 (12)	−0.010 (12)	0.067 (14)
C423	0.122 (18)	0.097 (17)	0.110 (16)	0.030 (12)	−0.010 (12)	0.067 (14)
C14A	0.15 (3)	0.13 (3)	0.10 (2)	0.09 (3)	0.03 (2)	0.02 (2)
C11A	0.13 (2)	0.064 (16)	0.096 (18)	−0.021 (16)	0.052 (17)	−0.013 (14)
C10A	0.14 (2)	0.048 (14)	0.082 (17)	0.005 (15)	0.057 (16)	−0.004 (13)
C13A	0.11 (2)	0.053 (15)	0.11 (2)	−0.010 (15)	0.011 (18)	0.037 (15)
I412	0.160 (6)	0.037 (3)	0.154 (7)	−0.027 (3)	−0.096 (6)	0.012 (3)
Zn46	0.130 (10)	0.039 (5)	0.121 (10)	−0.017 (5)	−0.059 (8)	0.025 (5)
I411	0.267 (10)	0.197 (10)	0.117 (6)	−0.099 (7)	0.012 (5)	0.043 (6)
I309	0.153 (7)	0.109 (4)	0.160 (5)	−0.041 (4)	−0.084 (4)	0.067 (4)
Zn35	0.154 (8)	0.016 (3)	0.138 (8)	0.003 (3)	−0.030 (5)	0.000 (3)
I310	0.201 (6)	0.046 (3)	0.299 (12)	−0.006 (3)	−0.025 (6)	−0.046 (5)
I301	0.110 (2)	0.0309 (16)	0.164 (3)	0.0087 (10)	−0.0388 (18)	−0.0334 (18)
Zn31	0.070 (3)	0.029 (2)	0.1136 (17)	−0.021 (2)	−0.0411 (18)	0.0121 (14)
I302	0.0644 (17)	0.104 (2)	0.194 (4)	−0.0052 (12)	−0.0255 (15)	0.092 (3)
I305	0.157 (6)	0.033 (3)	0.096 (5)	−0.015 (4)	−0.067 (5)	0.011 (3)
Zn33	0.124 (13)	0.056 (11)	0.096 (11)	−0.032 (8)	−0.084 (8)	0.019 (7)
I306	0.101 (4)	0.121 (7)	0.082 (4)	−0.068 (3)	0.000 (3)	−0.012 (4)
I407	0.574 (18)	0.075 (4)	0.235 (9)	0.130 (7)	0.273 (11)	0.083 (5)
Zn44	0.36 (2)	0.024 (4)	0.202 (12)	−0.004 (7)	0.162 (13)	−0.008 (5)
I408	0.400 (13)	0.081 (4)	0.363 (13)	−0.119 (6)	0.227 (10)	−0.086 (5)
I505	0.48 (2)	0.038 (4)	0.239 (11)	−0.002 (7)	−0.286 (14)	−0.006 (5)
Zn53	0.24 (2)	0.057 (8)	0.053 (7)	−0.050 (10)	−0.010 (13)	0.020 (6)
I506	0.39 (3)	0.28 (3)	0.128 (11)	−0.16 (2)	−0.061 (13)	0.057 (12)
I403	0.142 (4)	0.056 (4)	0.074 (3)	0.039 (3)	0.040 (3)	0.035 (3)
Zn42	0.139 (3)	0.0232 (11)	0.104 (3)	0.0077 (14)	0.044 (2)	0.0107 (13)
I404	0.262 (11)	0.066 (4)	0.346 (15)	−0.083 (6)	0.205 (11)	−0.095 (6)
I503	0.233 (13)	0.068 (5)	0.133 (8)	0.033 (6)	0.045 (8)	0.023 (5)
I504	0.232 (12)	0.064 (5)	0.196 (11)	−0.037 (6)	−0.037 (9)	−0.025 (6)
Zn52	0.148 (12)	0.032 (5)	0.117 (10)	0.005 (6)	−0.023 (9)	−0.002 (5)
C15A	0.08 (2)	0.09 (3)	0.22 (4)	−0.02 (2)	0.02 (3)	−0.04 (3)
C323	0.122 (18)	0.097 (17)	0.110 (16)	0.030 (12)	−0.010 (12)	0.067 (14)
C322	0.122 (18)	0.097 (17)	0.110 (16)	0.030 (12)	−0.010 (12)	0.067 (14)
C4B	0.13 (3)	0.22 (4)	0.09 (3)	0.01 (3)	−0.04 (2)	−0.03 (3)
C5B	0.11 (3)	0.23 (4)	0.07 (3)	0.01 (3)	−0.05 (2)	−0.04 (3)
C6B	0.10 (4)	0.24 (4)	0.08 (4)	0.03 (4)	−0.05 (2)	−0.03 (3)
C1B	0.10 (4)	0.23 (4)	0.10 (4)	0.03 (4)	−0.05 (3)	−0.02 (4)
C2B	0.10 (4)	0.23 (4)	0.09 (4)	0.03 (4)	−0.04 (3)	−0.03 (3)
C3B	0.11 (4)	0.22 (4)	0.09 (4)	0.02 (3)	−0.04 (3)	−0.03 (3)
C7B	0.17 (4)	0.21 (4)	0.10 (3)	0.01 (3)	0.01 (2)	−0.02 (3)
C12B	0.17 (4)	0.19 (4)	0.07 (3)	−0.01 (3)	0.03 (2)	−0.01 (3)
C11B	0.18 (4)	0.19 (4)	0.09 (4)	0.00 (4)	0.04 (3)	−0.01 (3)
C10B	0.17 (5)	0.19 (4)	0.09 (4)	0.00 (3)	0.04 (3)	−0.01 (3)
C9B	0.18 (4)	0.18 (4)	0.10 (4)	−0.01 (3)	0.04 (3)	−0.01 (3)
C8B	0.17 (4)	0.19 (4)	0.11 (3)	0.01 (3)	0.02 (3)	−0.01 (3)
O3B	0.16 (4)	0.18 (5)	0.05 (3)	−0.02 (3)	0.03 (2)	0.00 (3)
O2B	0.17 (4)	0.16 (5)	0.12 (4)	0.02 (4)	0.00 (3)	0.00 (3)
O1B	0.12 (5)	0.29 (7)	0.07 (4)	0.00 (5)	−0.04 (3)	−0.03 (4)
C13B	0.12 (4)	0.23 (4)	0.07 (4)	0.01 (4)	−0.04 (3)	−0.03 (3)
C15B	0.18 (5)	0.20 (7)	0.04 (4)	−0.05 (5)	0.03 (3)	0.03 (4)
C14B	0.22 (8)	0.17 (8)	0.13 (4)	−0.01 (7)	−0.01 (4)	0.00 (5)

Geometric parameters (Å, º)

I312—Zn36	2.521 (9)	C353—C354	1.36 (2)
I402—Zn41	2.479 (12)	C320—H320	0.9500
I409—Zn45	2.494 (10)	C320—C319	1.43 (2)
I401—Zn41	2.509 (12)	C334—C335	1.36 (2)
I405—Zn43	2.524 (12)	C334—C333	1.38 (2)
I307—Zn34	2.545 (8)	C313—H313	0.9500
I410—Zn45	2.571 (9)	C354—H354	0.9500
I311—Zn36	2.556 (9)	C351—H351	0.9500
I308—Zn34	2.533 (7)	C351—C350	1.33 (2)
I303—Zn32	2.521 (10)	C355—H355	0.9500
I304—Zn32	2.531 (10)	C331—H331	0.9500
I406—Zn43	2.567 (14)	C331—C330	1.39 (2)
Zn41—N311^i	2.318 (18)	C337—H337	0.9500
Zn41—N301	2.083 (15)	C337—C338	1.37 (2)
Zn45—N323^ii	2.127 (17)	C310—H310	0.9500
Zn45—N317	2.069 (13)	C358—H358	0.9500
Zn36—N319	2.042 (14)	C358—C359	1.41 (3)
Zn36—N318	2.085 (14)	C317—H317	0.9500
Zn43—N307	2.03 (2)	C305—H305	0.9500
Zn43—N306	2.055 (19)	C315—H315	0.9500
Zn34—N313	2.089 (16)	C346—H346	0.9500
Zn34—N312	2.05 (2)	C346—C347	1.38 (2)
Zn32—N305	2.108 (15)	C330—H330	0.9500
Zn32—N324^iii	1.94 (3)	C338—H338	0.9500
N304—C308	1.346 (16)	C341—H341	0.9500
N304—C307	1.342 (15)	C341—C340	1.43 (2)
N309—C325	1.345 (17)	C359—H359	0.9500
N309—C324	1.335 (18)	C350—H350	0.9500
N302—C306	1.296 (15)	C319—H319	0.9500
N302—C308	1.365 (16)	C370—C362	1.53 (3)
N321—C361	1.374 (18)	C370—C369	1.39 (3)
N321—C360	1.334 (18)	C370—C371	1.36 (3)
N311—C329	1.34 (2)	C301—H301	0.9500
N311—C330	1.29 (2)	C369—H369	0.9500
N311—Zn31^iv	1.959 (15)	C369—C368	1.41 (3)
N316—C344	1.340 (17)	C336—H336	0.9500
N316—C343	1.328 (17)	C336—C335	1.38 (3)
N320—C360	1.35 (2)	C348—H348	0.9500
N320—C362	1.34 (2)	C335—H335	0.9500
N303—C306	1.346 (15)	C368—H368	0.9500
N303—C307	1.307 (16)	O3A—C12A	1.377 (18)
N301—C305	1.336 (18)	O3A—C15A	1.439 (19)
N301—C301	1.322 (19)	C340—H340	0.9500
N301—Zn31	2.127 (12)	C347—H347	0.9500
C325—N310	1.294 (19)	O2A—C8A	1.379 (18)
C325—C327	1.507 (18)	O2A—C14A	1.446 (18)
N315—C343	1.362 (16)	C332—H332	0.9500
N315—C342	1.323 (18)	C332—C333	1.36 (3)
N314—C344	1.353 (18)	C367—H367	0.9500
N314—C342	1.325 (18)	C367—C366	1.43 (3)
N308—C324	1.33 (2)	C371—H371	0.9500
N308—C326	1.312 (19)	C371—C372	1.34 (3)
C361—N322	1.30 (2)	C333—H333	0.9500
C361—C363	1.495 (19)	C372—H372	0.9500
N305—C312	1.32 (2)	C4A—C3A	1.385 (16)
N305—C311	1.28 (2)	C4A—C7A	1.501 (17)
N305—Zn42	2.108 (16)	C4A—C5A	1.395 (15)
N305—Zn52	2.151 (16)	C366—H366	0.9500
N310—C326	1.330 (19)	C366—Zn55^v	2.51 (6)
N307—C319	1.27 (2)	C3A—H3A	0.9500
N307—C423	1.32 (3)	C3A—C2A	1.388 (16)
N307—Zn33	2.016 (18)	C7A—C12A	1.373 (16)
N307—Zn53	2.16 (3)	C7A—C8A	1.375 (16)
N307—C323	1.32 (3)	C1A—H1A	0.9500
N319—C355	1.27 (2)	C1A—C2A	1.382 (16)
N319—C359	1.30 (3)	C1A—C6A	1.378 (17)
N319—Zn46	2.056 (16)	O1A—H1AA	0.8400
N319—Zn56	2.36 (10)	O1A—C13A	1.423 (17)
N323—C365	1.33 (2)	C5A—C6A	1.386 (16)
N323—C366	1.30 (3)	C5A—C13A	1.503 (18)
N323—Zn35^v	2.027 (16)	C12A—C11A	1.370 (16)
N323—Zn55^v	1.84 (6)	C9A—H9A	0.9500
N317—C348	1.350 (18)	C9A—C8A	1.375 (16)
N317—C347	1.31 (2)	C9A—C10A	1.366 (17)
N317—Zn35	2.090 (13)	C2A—H2A	0.9500
N317—Zn55	2.08 (2)	C6A—H6A	0.9500
N322—C362	1.33 (2)	C422—H422	0.9500
C306—C303	1.493 (16)	C422—C423	1.40 (3)
N306—C314	1.313 (19)	C423—H423	0.9500
N306—C318	1.334 (19)	C14A—H14A	0.9800
N306—Zn33	2.044 (15)	C14A—H14B	0.9800
N306—Zn53	2.15 (3)	C14A—H14C	0.9800
C324—C321	1.472 (19)	C11A—H11A	0.9500
C327—C328	1.32 (2)	C11A—C10A	1.362 (17)
C327—C331	1.34 (2)	C10A—H10A	0.9500
N313—C337	1.30 (2)	C13A—H13A	0.9900
N313—C341	1.29 (2)	C13A—H13B	0.9900
N313—Zn44	2.093 (15)	I412—Zn46	2.523 (11)
N313—Zn54	2.24 (5)	Zn46—I411	2.549 (12)
C360—C357	1.47 (2)	I309—Zn35	2.506 (10)
C357—C356	1.33 (2)	Zn35—I310	2.527 (9)
C357—C358	1.35 (2)	I301—Zn31	2.533 (6)
N318—C354	1.338 (19)	Zn31—I302	2.528 (7)
N318—C350	1.343 (19)	I305—Zn33	2.518 (11)
N318—Zn46	2.067 (16)	Zn33—I306	2.573 (13)
N318—Zn56	2.43 (13)	I407—Zn44	2.534 (11)
N324—C368	1.30 (3)	Zn44—I408	2.540 (13)
N324—C372	1.35 (3)	I505—Zn53	2.520 (13)
N324—Zn42^vi	2.07 (3)	Zn53—I506	2.573 (15)
N324—Zn52^vi	2.49 (3)	I403—Zn42	2.523 (13)
C308—C316	1.462 (17)	Zn42—I404	2.529 (13)
C309—C307	1.504 (16)	I512—Zn56	2.522 (18)
C309—C313	1.37 (2)	Zn56—I511	2.551 (19)
C309—C310	1.36 (2)	I503—Zn52	2.532 (13)
C316—C317	1.42 (2)	I504—Zn52	2.506 (14)
C316—C315	1.385 (19)	I508—Zn54	2.541 (17)
C303—C304	1.37 (2)	I507—Zn54	2.546 (17)
C303—C302	1.381 (19)	I510—Zn55	2.554 (18)
C321—C320	1.34 (2)	I509—Zn55	2.504 (18)
C321—C422	1.39 (3)	C15A—H15A	0.9800
C321—C322	1.40 (3)	C15A—H15B	0.9800
C365—H365	0.9500	C15A—H15C	0.9800
C365—C364	1.38 (2)	C323—H323	0.9500
C363—C364	1.38 (2)	C323—C322	1.41 (3)
C363—C367	1.34 (2)	C322—H322	0.9500
C344—C352	1.457 (19)	C4B—C5B	1.3900
C352—C353	1.38 (2)	C4B—C3B	1.3900
C352—C351	1.440 (19)	C4B—C7B	1.50 (2)
C329—H329	0.9500	C5B—C6B	1.3900
C329—C328	1.36 (2)	C5B—C13B	1.508 (17)
C304—H304	0.9500	C6B—H6B	0.9500
C304—C305	1.394 (19)	C6B—C1B	1.3900
C364—H364	0.9500	C1B—H1B	0.9500
C343—C345	1.477 (18)	C1B—C2B	1.3900
C349—H349	0.9500	C2B—H2B	0.9500
C349—C345	1.370 (19)	C2B—C3B	1.3900
C349—C348	1.37 (2)	C3B—H3B	0.9500
C356—H356	0.9500	C7B—C12B	1.3900
C356—C355	1.44 (2)	C7B—C8B	1.3900
C312—H312	0.9500	C12B—C11B	1.3900
C312—C313	1.35 (2)	C12B—O3B	1.37 (2)
N312—C336	1.32 (3)	C11B—H11B	0.9500
N312—C332	1.30 (3)	C11B—C10B	1.3900
N312—Zn44	2.04 (2)	C10B—H10B	0.9500
N312—Zn54	2.16 (7)	C10B—C9B	1.3900
C339—C342	1.481 (19)	C9B—H9B	0.9500
C339—C338	1.35 (2)	C9B—C8B	1.3900
C339—C340	1.37 (2)	C8B—O2B	1.370 (17)
C314—H314	0.9500	O3B—C15B	1.43 (2)
C314—C315	1.380 (18)	O2B—C14B	1.43 (2)
C345—C346	1.39 (2)	O1B—H1BA	0.8400
C302—H302	0.9500	O1B—C13B	1.42 (2)
C302—C301	1.34 (2)	C13B—H13C	0.9900
C326—C334	1.52 (3)	C13B—H13D	0.9900
C328—H328	0.9500	C15B—H15D	0.9800
C318—H318	0.9500	C15B—H15E	0.9800
C318—C317	1.37 (2)	C15B—H15F	0.9800
C311—H311	0.9500	C14B—H14D	0.9800
C311—C310	1.37 (2)	C14B—H14E	0.9800
C353—H353	0.9500	C14B—H14F	0.9800
I402—Zn41—I401	124.9 (6)	C316—C315—H315	121.2
N311^i—Zn41—I402	111.2 (7)	C314—C315—C316	117.5 (14)
N311^i—Zn41—I401	103.5 (6)	C314—C315—H315	121.2
N301—Zn41—I402	106.5 (7)	C345—C346—H346	121.4
N301—Zn41—I401	113.7 (7)	C347—C346—C345	117.1 (14)
N301—Zn41—N311^i	92.1 (6)	C347—C346—H346	121.4
I409—Zn45—I410	124.7 (5)	N311—C330—C331	123.7 (17)
N323^ii—Zn45—I409	113.1 (6)	N311—C330—H330	118.1
N323^ii—Zn45—I410	103.9 (6)	C331—C330—H330	118.1
N317—Zn45—I409	106.2 (7)	C339—C338—C337	122.8 (17)
N317—Zn45—I410	109.4 (6)	C339—C338—H338	118.6
N317—Zn45—N323^ii	95.8 (6)	C337—C338—H338	118.6
I312—Zn36—I311	126.8 (4)	N313—C341—H341	119.3
N319—Zn36—I312	109.2 (6)	N313—C341—C340	121.4 (17)
N319—Zn36—I311	103.2 (6)	C340—C341—H341	119.3
N319—Zn36—N318	102.1 (6)	N319—C359—C358	122.5 (18)
N318—Zn36—I312	107.9 (6)	N319—C359—H359	118.8
N318—Zn36—I311	105.1 (6)	C358—C359—H359	118.8
I405—Zn43—I406	122.6 (10)	N318—C350—H350	117.8
N307—Zn43—I405	109.5 (10)	C351—C350—N318	124.5 (13)
N307—Zn43—I406	106.4 (9)	C351—C350—H350	117.8
N307—Zn43—N306	103.9 (8)	N307—C319—C320	119 (2)
N306—Zn43—I405	108.6 (9)	N307—C319—H319	120.7
N306—Zn43—I406	104.2 (9)	C320—C319—H319	120.7
I308—Zn34—I307	121.3 (4)	C369—C370—C362	119.7 (18)
N313—Zn34—I307	109.1 (6)	C371—C370—C362	121.8 (18)
N313—Zn34—I308	106.7 (6)	C371—C370—C369	118 (2)
N312—Zn34—I307	103.4 (6)	N320—C362—C370	117.0 (15)
N312—Zn34—I308	112.2 (7)	N322—C362—N320	126.0 (17)
N312—Zn34—N313	102.6 (7)	N322—C362—C370	117.0 (15)
I303—Zn32—I304	120.8 (7)	N301—C301—C302	123.8 (14)
N305—Zn32—I303	109.0 (7)	N301—C301—H301	118.1
N305—Zn32—I304	106.6 (7)	C302—C301—H301	118.1
N324^iii—Zn32—I303	107.7 (9)	C370—C369—H369	122.3
N324^iii—Zn32—I304	106.4 (8)	C370—C369—C368	115 (2)
N324^iii—Zn32—N305	105.3 (9)	C368—C369—H369	122.3
C307—N304—C308	114.1 (10)	N312—C336—H336	119.5
C324—N309—C325	113.3 (13)	N312—C336—C335	120.9 (17)
C306—N302—C308	115.9 (10)	C335—C336—H336	119.5
C360—N321—C361	113.1 (14)	N317—C348—C349	122.5 (14)
C329—N311—Zn41^iv	120.6 (13)	N317—C348—H348	118.7
C329—N311—Zn31^iv	123.4 (13)	C349—C348—H348	118.7
C330—N311—Zn41^iv	121.9 (11)	C334—C335—C336	120.8 (19)
C330—N311—C329	117.4 (14)	C334—C335—H335	119.6
C330—N311—Zn31^iv	119.1 (11)	C336—C335—H335	119.6
C343—N316—C344	115.7 (12)	N324—C368—C369	126 (2)
C362—N320—C360	114.9 (13)	N324—C368—H368	117.0
C307—N303—C306	114.2 (10)	C369—C368—H368	117.0
C305—N301—Zn41	114.8 (10)	C12A—O3A—C15A	118 (3)
C305—N301—Zn31	121.6 (10)	C339—C340—C341	119.1 (18)
C301—N301—Zn41	124.9 (10)	C339—C340—H340	120.5
C301—N301—C305	118.5 (12)	C341—C340—H340	120.5
C301—N301—Zn31	119.6 (9)	N317—C347—C346	125.0 (14)
N309—C325—C327	115.9 (14)	N317—C347—H347	117.5
N310—C325—N309	126.6 (12)	C346—C347—H347	117.5
N310—C325—C327	117.5 (12)	C8A—O2A—C14A	119 (3)
C342—N315—C343	114.5 (12)	N312—C332—H332	118.0
C342—N314—C344	113.8 (11)	N312—C332—C333	124 (2)
C326—N308—C324	115.0 (13)	C333—C332—H332	118.0
N321—C361—C363	116.3 (15)	C363—C367—H367	120.7
N322—C361—N321	127.0 (13)	C363—C367—C366	119 (2)
N322—C361—C363	116.7 (13)	C366—C367—H367	120.7
C312—N305—Zn32	118.4 (12)	C370—C371—H371	119.5
C312—N305—Zn42	116.9 (12)	C372—C371—C370	121 (2)
C312—N305—Zn52	142.8 (12)	C372—C371—H371	119.5
C311—N305—Zn32	123.1 (12)	C334—C333—H333	120.4
C311—N305—C312	118.2 (13)	C332—C333—C334	119.1 (19)
C311—N305—Zn42	124.9 (12)	C332—C333—H333	120.4
C311—N305—Zn52	98.0 (11)	N324—C372—H372	118.4
C325—N310—C326	114.5 (13)	C371—C372—N324	123 (2)
C319—N307—Zn43	126.1 (16)	C371—C372—H372	118.4
C319—N307—C423	112 (2)	C3A—C4A—C7A	119.9 (16)
C319—N307—Zn33	124.0 (16)	C3A—C4A—C5A	119.6 (17)
C319—N307—Zn53	114.3 (16)	C5A—C4A—C7A	120.5 (17)
C319—N307—C323	119.2 (16)	N323—C366—C367	122 (2)
C423—N307—Zn43	115.1 (16)	N323—C366—H366	119.2
C323—N307—Zn33	114.5 (13)	N323—C366—Zn55^v	45.1 (13)
C355—N319—Zn36	125.8 (14)	C367—C366—H366	119.2
C355—N319—C359	118.7 (15)	C367—C366—Zn55^v	166 (2)
C355—N319—Zn46	118.8 (14)	C4A—C3A—H3A	119.8
C355—N319—Zn56	99.5 (19)	C4A—C3A—C2A	120 (2)
C359—N319—Zn36	115.5 (12)	C2A—C3A—H3A	119.8
C359—N319—Zn46	122.4 (13)	C12A—C7A—C4A	120.4 (17)
C359—N319—Zn56	141.6 (18)	C12A—C7A—C8A	119.6 (18)
C365—N323—Zn45^v	119.4 (15)	C8A—C7A—C4A	119.9 (18)
C365—N323—Zn35^v	124.7 (15)	C2A—C1A—H1A	120.4
C365—N323—Zn55^v	135 (2)	C6A—C1A—H1A	120.4
C366—N323—Zn45^v	120.5 (12)	C6A—C1A—C2A	119.1 (19)
C366—N323—C365	119.7 (17)	C13A—O1A—H1AA	109.5
C366—N323—Zn35^v	115.3 (12)	C4A—C5A—C13A	118.6 (16)
C366—N323—Zn55^v	105.1 (17)	C6A—C5A—C4A	119.1 (12)
C348—N317—Zn45	122.4 (10)	C6A—C5A—C13A	122.3 (16)
C348—N317—Zn35	122.3 (10)	C7A—C12A—O3A	117.2 (17)
C348—N317—Zn55	123 (2)	C11A—C12A—O3A	123 (2)
C347—N317—Zn45	120.1 (10)	C11A—C12A—C7A	120 (2)
C347—N317—C348	116.7 (12)	C8A—C9A—H9A	119.3
C347—N317—Zn35	120.9 (10)	C10A—C9A—H9A	119.3
C347—N317—Zn55	119 (2)	C10A—C9A—C8A	121 (3)
C361—N322—C362	114.0 (14)	C7A—C8A—O2A	116.0 (17)
N302—C306—N303	125.5 (10)	C7A—C8A—C9A	119 (2)
N302—C306—C303	117.0 (11)	C9A—C8A—O2A	125 (2)
N303—C306—C303	116.8 (10)	C3A—C2A—H2A	119.9
C314—N306—Zn43	121.1 (10)	C1A—C2A—C3A	120 (2)
C314—N306—C318	117.1 (12)	C1A—C2A—H2A	119.9
C314—N306—Zn33	123.2 (10)	C1A—C6A—C5A	121.5 (14)
C314—N306—Zn53	127.7 (10)	C1A—C6A—H6A	119.3
C318—N306—Zn43	121.7 (11)	C5A—C6A—H6A	119.3
C318—N306—Zn33	119.7 (10)	C321—C422—H422	121.0
C318—N306—Zn53	114.0 (11)	C321—C422—C423	118 (3)
N309—C324—C321	118.5 (15)	C423—C422—H422	121.0
N308—C324—N309	125.0 (12)	N307—C423—C422	122 (3)
N308—C324—C321	116.4 (13)	N307—C423—H423	119.0
C328—C327—C325	122.5 (13)	C422—C423—H423	119.0
C328—C327—C331	116.9 (15)	O2A—C14A—H14A	109.5
C331—C327—C325	120.5 (16)	O2A—C14A—H14B	109.5
C337—N313—Zn34	115.5 (13)	O2A—C14A—H14C	109.5
C337—N313—Zn44	127.3 (14)	H14A—C14A—H14B	109.5
C337—N313—Zn54	113.9 (14)	H14A—C14A—H14C	109.5
C341—N313—Zn34	124.7 (12)	H14B—C14A—H14C	109.5
C341—N313—C337	119.5 (15)	C12A—C11A—H11A	119.2
C341—N313—Zn44	112.7 (12)	C10A—C11A—C12A	122 (3)
C341—N313—Zn54	126.6 (13)	C10A—C11A—H11A	119.2
N321—C360—N320	124.8 (13)	C9A—C10A—H10A	120.8
N321—C360—C357	117.8 (15)	C11A—C10A—C9A	118 (3)
N320—C360—C357	117.4 (13)	C11A—C10A—H10A	120.8
C356—C357—C360	121.1 (14)	O1A—C13A—C5A	112.6 (17)
C356—C357—C358	116.5 (16)	O1A—C13A—H13A	109.1
C358—C357—C360	122.4 (17)	O1A—C13A—H13B	109.1
C354—N318—Zn36	120.2 (10)	C5A—C13A—H13A	109.1
C354—N318—C350	116.9 (13)	C5A—C13A—H13B	109.1
C354—N318—Zn46	124.9 (11)	H13A—C13A—H13B	107.8
C354—N318—Zn56	133.1 (19)	N319—Zn46—N318	102.2 (7)
C350—N318—Zn36	122.8 (10)	N319—Zn46—I412	107.7 (7)
C350—N318—Zn46	117.5 (11)	N319—Zn46—I411	109.8 (7)
C350—N318—Zn56	104.4 (17)	N318—Zn46—I412	103.2 (6)
Zn32^vi—N324—Zn42^vi	1.3 (6)	N318—Zn46—I411	107.9 (7)
Zn32^vi—N324—Zn52^vi	23.3 (5)	I412—Zn46—I411	123.8 (6)
C368—N324—Zn32^vi	120.1 (18)	N323^ii—Zn35—N317	98.3 (6)
C368—N324—C372	115.6 (19)	N323^ii—Zn35—I309	104.7 (7)
C368—N324—Zn42^vi	121.4 (17)	N323^ii—Zn35—I310	105.4 (7)
C368—N324—Zn52^vi	99.9 (16)	N317—Zn35—I309	104.7 (7)
C372—N324—Zn32^vi	124.4 (14)	N317—Zn35—I310	108.9 (6)
C372—N324—Zn42^vi	123.0 (14)	I309—Zn35—I310	130.3 (5)
C372—N324—Zn52^vi	142.7 (13)	N311^i—Zn31—N301	101.8 (5)
N304—C308—N302	123.0 (11)	N311^i—Zn31—I301	109.0 (5)
N304—C308—C316	119.0 (11)	N311^i—Zn31—I302	110.3 (5)
N302—C308—C316	117.9 (11)	N301—Zn31—I301	104.8 (5)
C313—C309—C307	122.0 (12)	N301—Zn31—I302	104.0 (5)
C310—C309—C307	121.9 (12)	I302—Zn31—I301	124.3 (3)
C310—C309—C313	116.0 (12)	N307—Zn33—N306	104.9 (8)
C317—C316—C308	120.3 (12)	N307—Zn33—I305	112.8 (8)
C315—C316—C308	120.5 (12)	N307—Zn33—I306	103.6 (8)
C315—C316—C317	119.2 (12)	N306—Zn33—I305	107.9 (7)
C304—C303—C306	119.9 (12)	N306—Zn33—I306	101.2 (8)
C304—C303—C302	118.9 (12)	I305—Zn33—I306	124.4 (8)
C302—C303—C306	121.1 (12)	N313—Zn44—I407	114.3 (7)
C320—C321—C324	120.7 (14)	N313—Zn44—I408	102.3 (7)
C320—C321—C422	103 (3)	N312—Zn44—N313	102.8 (7)
C320—C321—C322	116.1 (17)	N312—Zn44—I407	111.8 (7)
C422—C321—C324	124 (2)	N312—Zn44—I408	102.4 (7)
C322—C321—C324	122.8 (19)	I407—Zn44—I408	121.1 (5)
N304—C307—C309	115.0 (11)	N307—Zn53—I505	98.5 (10)
N303—C307—N304	126.7 (11)	N307—Zn53—I506	112.0 (12)
N303—C307—C309	118.3 (11)	N306—Zn53—N307	96.7 (10)
N323—C365—H365	119.0	N306—Zn53—I505	103.2 (9)
N323—C365—C364	122 (2)	N306—Zn53—I506	112.2 (11)
C364—C365—H365	119.0	I505—Zn53—I506	129.0 (14)
C364—C363—C361	121.6 (13)	N305—Zn42—I403	113.7 (9)
C367—C363—C361	119.4 (18)	N305—Zn42—I404	102.5 (8)
C367—C363—C364	118.9 (16)	N324^iii—Zn42—N305	100.8 (11)
N316—C344—N314	124.7 (13)	N324^iii—Zn42—I403	107.7 (9)
N316—C344—C352	115.6 (12)	N324^iii—Zn42—I404	109.9 (9)
N314—C344—C352	119.6 (12)	I403—Zn42—I404	120.5 (9)
C353—C352—C344	123.0 (13)	N319—Zn56—N318	84 (2)
C353—C352—C351	116.4 (14)	N319—Zn56—I512	108 (3)
C351—C352—C344	120.6 (13)	N319—Zn56—I511	137 (5)
N311—C329—H329	120.2	N318—Zn56—I512	92 (3)
N311—C329—C328	119.5 (16)	N318—Zn56—I511	127 (6)
C328—C329—H329	120.2	I512—Zn56—I511	100 (3)
C303—C304—H304	120.7	N305—Zn52—N324^iii	87.6 (7)
C303—C304—C305	118.6 (13)	N305—Zn52—I503	100.7 (7)
C305—C304—H304	120.7	N305—Zn52—I504	123.3 (7)
C365—C364—C363	118.8 (16)	N324^iii—Zn52—I503	87.1 (7)
C365—C364—H364	120.6	N324^iii—Zn52—I504	124.9 (8)
C363—C364—H364	120.6	I504—Zn52—I503	123.2 (7)
N316—C343—N315	123.9 (12)	N313—Zn54—I508	109.0 (16)
N316—C343—C345	119.4 (12)	N313—Zn54—I507	107.5 (17)
N315—C343—C345	116.2 (12)	N312—Zn54—N313	94.5 (17)
C345—C349—H349	120.3	N312—Zn54—I508	99.3 (19)
C345—C349—C348	119.4 (13)	N312—Zn54—I507	104 (2)
C348—C349—H349	120.3	I508—Zn54—I507	134.7 (18)
C357—C356—H356	119.6	N323^ii—Zn55—N317	105 (2)
C357—C356—C355	120.7 (16)	N323^ii—Zn55—C366^ii	29.9 (11)
C355—C356—H356	119.6	N323^ii—Zn55—I510	119 (2)
N305—C312—H312	118.3	N323^ii—Zn55—I509	108 (2)
N305—C312—C313	123.3 (16)	N317—Zn55—C366^ii	105 (2)
C313—C312—H312	118.3	N317—Zn55—I510	106 (2)
C336—N312—Zn34	125.4 (13)	N317—Zn55—I509	93.6 (18)
C336—N312—Zn44	114.8 (13)	C366^ii—Zn55—I510	90.8 (18)
C336—N312—Zn54	124.9 (15)	I509—Zn55—I510	121 (3)
C332—N312—Zn34	116.7 (16)	O3A—C15A—H15A	109.5
C332—N312—C336	117.9 (18)	O3A—C15A—H15B	109.5
C332—N312—Zn44	126.9 (15)	O3A—C15A—H15C	109.5
C332—N312—Zn54	116.8 (17)	H15A—C15A—H15B	109.5
C338—C339—C342	120.9 (14)	H15A—C15A—H15C	109.5
C338—C339—C340	115.4 (14)	H15B—C15A—H15C	109.5
C340—C339—C342	123.7 (15)	N307—C323—H323	118.7
N306—C314—H314	117.6	N307—C323—C322	123 (2)
N306—C314—C315	124.8 (14)	C322—C323—H323	118.7
C315—C314—H314	117.6	C321—C322—C323	117 (3)
C349—C345—C343	121.7 (12)	C321—C322—H322	121.4
C349—C345—C346	118.7 (12)	C323—C322—H322	121.4
C346—C345—C343	119.5 (13)	C5B—C4B—C3B	120.0
C303—C302—H302	120.6	C5B—C4B—C7B	119.6 (16)
C301—C302—C303	118.8 (14)	C3B—C4B—C7B	120.2 (15)
C301—C302—H302	120.6	C4B—C5B—C13B	118 (2)
N308—C326—N310	125.6 (17)	C6B—C5B—C4B	120.0
N308—C326—C334	116.3 (15)	C6B—C5B—C13B	122 (2)
N310—C326—C334	118.0 (14)	C5B—C6B—H6B	120.0
C327—C328—C329	123.2 (15)	C5B—C6B—C1B	120.0
C327—C328—H328	118.4	C1B—C6B—H6B	120.0
C329—C328—H328	118.4	C6B—C1B—H1B	120.0
N306—C318—H318	117.5	C6B—C1B—C2B	120.0
N306—C318—C317	124.9 (14)	C2B—C1B—H1B	120.0
C317—C318—H318	117.5	C1B—C2B—H2B	120.0
N315—C342—N314	126.9 (12)	C3B—C2B—C1B	120.0
N315—C342—C339	115.9 (13)	C3B—C2B—H2B	120.0
N314—C342—C339	117.1 (12)	C4B—C3B—H3B	120.0
N305—C311—H311	118.9	C2B—C3B—C4B	120.0
N305—C311—C310	122.1 (15)	C2B—C3B—H3B	120.0
C310—C311—H311	118.9	C12B—C7B—C4B	119.8 (16)
C352—C353—H353	119.9	C12B—C7B—C8B	120.0
C354—C353—C352	120.2 (14)	C8B—C7B—C4B	118.7 (16)
C354—C353—H353	119.9	C7B—C12B—C11B	120.0
C321—C320—H320	118.4	O3B—C12B—C7B	115 (4)
C321—C320—C319	123.2 (18)	O3B—C12B—C11B	125 (4)
C319—C320—H320	118.4	C12B—C11B—H11B	120.0
C335—C334—C326	121.7 (16)	C12B—C11B—C10B	120.0
C335—C334—C333	116.5 (19)	C10B—C11B—H11B	120.0
C333—C334—C326	121.6 (17)	C11B—C10B—H10B	120.0
C309—C313—H313	120.3	C9B—C10B—C11B	120.0
C312—C313—C309	119.4 (16)	C9B—C10B—H10B	120.0
C312—C313—H313	120.3	C10B—C9B—H9B	120.0
N318—C354—C353	123.1 (14)	C10B—C9B—C8B	120.0
N318—C354—H354	118.4	C8B—C9B—H9B	120.0
C353—C354—H354	118.4	C9B—C8B—C7B	120.0
C352—C351—H351	120.6	O2B—C8B—C7B	119 (2)
C350—C351—C352	118.8 (14)	O2B—C8B—C9B	121 (2)
C350—C351—H351	120.6	C12B—O3B—C15B	118 (4)
N319—C355—C356	121.3 (19)	C8B—O2B—C14B	118 (4)
N319—C355—H355	119.3	C13B—O1B—H1BA	109.5
C356—C355—H355	119.3	C5B—C13B—H13C	109.3
C327—C331—H331	120.6	C5B—C13B—H13D	109.3
C327—C331—C330	118.9 (19)	O1B—C13B—C5B	112 (3)
C330—C331—H331	120.6	O1B—C13B—H13C	109.3
N313—C337—H337	119.3	O1B—C13B—H13D	109.3
N313—C337—C338	121.4 (18)	H13C—C13B—H13D	107.9
C338—C337—H337	119.3	O3B—C15B—H15D	109.5
C309—C310—C311	120.7 (15)	O3B—C15B—H15E	109.5
C309—C310—H310	119.7	O3B—C15B—H15F	109.5
C311—C310—H310	119.7	H15D—C15B—H15E	109.5
C357—C358—H358	120.1	H15D—C15B—H15F	109.5
C357—C358—C359	120 (2)	H15E—C15B—H15F	109.5
C359—C358—H358	120.1	O2B—C14B—H14D	109.5
C316—C317—H317	121.8	O2B—C14B—H14E	109.5
C318—C317—C316	116.4 (14)	O2B—C14B—H14F	109.5
C318—C317—H317	121.8	H14D—C14B—H14E	109.5
N301—C305—C304	121.3 (14)	H14D—C14B—H14F	109.5
N301—C305—H305	119.3	H14E—C14B—H14F	109.5
C304—C305—H305	119.3
Zn41^iv—N311—C329—C328	−172.3 (10)	C313—C309—C307—N304	12 (2)
Zn41^iv—N311—C330—C331	171.7 (15)	C313—C309—C307—N303	−167.9 (17)
Zn41—N301—C305—C304	−168.4 (16)	C313—C309—C310—C311	1 (3)
Zn41—N301—C301—C302	166.9 (18)	C354—N318—C350—C351	2 (4)
Zn45^v—N323—C365—C364	−171.7 (13)	C351—C352—C353—C354	2 (3)
Zn45^v—N323—C366—C367	173.1 (17)	C355—N319—C359—C358	−4 (3)
Zn45—N317—C348—C349	−168.3 (16)	C331—C327—C328—C329	−5 (2)
Zn45—N317—C347—C346	164 (2)	C337—N313—C341—C340	4 (3)
Zn36—N319—C355—C356	−174.9 (13)	C310—C309—C307—N304	−170.3 (16)
Zn36—N319—C359—C358	174.7 (19)	C310—C309—C307—N303	10 (3)
Zn36—N318—C354—C353	177.4 (16)	C310—C309—C313—C312	−5 (3)
Zn36—N318—C350—C351	−175 (2)	C358—C357—C356—C355	−7 (3)
Zn43—N307—C319—C320	−179.7 (14)	C317—C316—C315—C314	0 (3)
Zn43—N307—C423—C422	−179 (5)	C305—N301—C301—C302	3 (3)
Zn43—N306—C314—C315	178.4 (15)	C315—C316—C317—C318	0 (3)
Zn43—N306—C318—C317	−178.6 (19)	C330—N311—C329—C328	4 (2)
Zn34—N313—C337—C338	178.2 (17)	C338—C339—C342—N315	8 (3)
Zn34—N313—C341—C340	178.1 (16)	C338—C339—C342—N314	−171.9 (18)
Zn34—N312—C336—C335	168.8 (17)	C338—C339—C340—C341	−4 (3)
Zn34—N312—C332—C333	−173 (2)	C341—N313—C337—C338	−7 (3)
Zn32—N305—C312—C313	173.8 (18)	C359—N319—C355—C356	4 (3)
Zn32—N305—C311—C310	−177.8 (16)	C350—N318—C354—C353	0 (3)
Zn32^vi—N324—C368—C369	−179 (2)	C319—N307—C423—C422	−27 (7)
Zn32^vi—N324—C372—C371	176.1 (19)	C319—N307—C323—C322	22 (5)
N304—C308—C316—C317	5 (3)	C370—C369—C368—N324	1 (4)
N304—C308—C316—C315	−174.6 (16)	C370—C371—C372—N324	5 (4)
N309—C325—N310—C326	1 (2)	C362—N320—C360—N321	−3 (2)
N309—C325—C327—C328	−9.2 (19)	C362—N320—C360—C357	178.9 (12)
N309—C325—C327—C331	171.0 (14)	C362—C370—C369—C368	−179.9 (18)
N309—C324—C321—C320	−20 (2)	C362—C370—C371—C372	177 (2)
N309—C324—C321—C422	−155 (4)	C301—N301—C305—C304	−3 (3)
N309—C324—C321—C322	152 (2)	C369—C370—C362—N320	20 (3)
N302—C306—C303—C304	4 (2)	C369—C370—C362—N322	−161.6 (18)
N302—C306—C303—C302	−178.3 (16)	C369—C370—C371—C372	−3 (4)
N302—C308—C316—C317	−175.4 (17)	C336—N312—C332—C333	6 (4)
N302—C308—C316—C315	5 (2)	C348—N317—C347—C346	−6 (4)
N321—C361—N322—C362	5 (2)	C348—C349—C345—C343	177.9 (18)
N321—C361—C363—C364	−7 (2)	C348—C349—C345—C346	3 (3)
N321—C361—C363—C367	176.8 (16)	C335—C334—C333—C332	−4 (4)
N321—C360—C357—C356	2 (2)	C368—N324—C372—C371	−5 (3)
N321—C360—C357—C358	−177.7 (18)	O3A—C12A—C11A—C10A	−179 (2)
N311—C329—C328—C327	1 (2)	C340—C339—C342—N315	−171.3 (19)
N316—C344—C352—C353	1 (3)	C340—C339—C342—N314	8 (3)
N316—C344—C352—C351	−176.5 (17)	C340—C339—C338—C337	1 (3)
N316—C343—C345—C349	6 (3)	C347—N317—C348—C349	2 (3)
N316—C343—C345—C346	−178.7 (18)	C332—N312—C336—C335	−10 (3)
N320—C360—C357—C356	179.4 (14)	C367—C363—C364—C365	−7 (3)
N320—C360—C357—C358	0 (2)	C371—C370—C362—N320	−159.6 (18)
N303—C306—C303—C304	174.7 (15)	C371—C370—C362—N322	19 (3)
N303—C306—C303—C302	−7 (2)	C371—C370—C369—C368	0 (3)
C325—N309—C324—N308	2 (2)	C333—C334—C335—C336	0 (3)
C325—N309—C324—C321	−174.6 (12)	C372—N324—C368—C369	1 (3)
C325—N310—C326—N308	−2 (2)	C4A—C3A—C2A—C1A	−6 (4)
C325—N310—C326—C334	−178.7 (14)	C4A—C7A—C12A—O3A	1 (2)
C325—C327—C328—C329	175.0 (13)	C4A—C7A—C12A—C11A	−176 (2)
C325—C327—C331—C330	−175.6 (15)	C4A—C7A—C8A—O2A	−4 (3)
N315—C343—C345—C349	178.8 (17)	C4A—C7A—C8A—C9A	177 (2)
N315—C343—C345—C346	−6 (3)	C4A—C5A—C6A—C1A	1 (4)
N314—C344—C352—C353	−178.2 (17)	C4A—C5A—C13A—O1A	−160 (2)
N314—C344—C352—C351	4 (3)	C366—N323—C365—C364	1 (3)
N308—C324—C321—C320	162.8 (16)	C3A—C4A—C7A—C12A	107 (2)
N308—C324—C321—C422	28 (4)	C3A—C4A—C7A—C8A	−70 (3)
N308—C324—C321—C322	−25 (3)	C3A—C4A—C5A—C6A	−1 (4)
N308—C326—C334—C335	−159.9 (19)	C3A—C4A—C5A—C13A	−178 (3)
N308—C326—C334—C333	15 (3)	C7A—C4A—C3A—C2A	−176 (2)
C361—N321—C360—N320	5.2 (18)	C7A—C4A—C5A—C6A	178 (2)
C361—N321—C360—C357	−177.1 (11)	C7A—C4A—C5A—C13A	1 (4)
C361—N322—C362—N320	−2 (2)	C7A—C12A—C11A—C10A	−2 (3)
C361—N322—C362—C370	179.5 (14)	C5A—C4A—C3A—C2A	3 (4)
C361—C363—C364—C365	177.1 (14)	C5A—C4A—C7A—C12A	−72 (3)
C361—C363—C367—C366	−175.6 (18)	C5A—C4A—C7A—C8A	111 (3)
N305—C312—C313—C309	6 (3)	C12A—C7A—C8A—O2A	180 (2)
N305—C311—C310—C309	3 (3)	C12A—C7A—C8A—C9A	0 (2)
N310—C325—C327—C328	168.4 (14)	C12A—C11A—C10A—C9A	3 (3)
N310—C325—C327—C331	−11 (2)	C8A—C7A—C12A—O3A	178 (2)
N310—C326—C334—C335	17 (3)	C8A—C7A—C12A—C11A	0.2 (19)
N310—C326—C334—C333	−167.8 (19)	C8A—C9A—C10A—C11A	−2 (3)
N307—C323—C322—C321	−13 (5)	C2A—C1A—C6A—C5A	−4 (4)
N323—C365—C364—C363	2 (2)	C6A—C1A—C2A—C3A	6 (4)
N322—C361—C363—C364	174.8 (14)	C6A—C5A—C13A—O1A	23 (4)
N322—C361—C363—C367	−1 (2)	C422—C321—C320—C319	−41 (3)
C306—N302—C308—N304	−4 (2)	C423—N307—C319—C320	31 (4)
C306—N302—C308—C316	175.5 (14)	C14A—O2A—C8A—C7A	−169 (3)
C306—N303—C307—N304	−4 (2)	C14A—O2A—C8A—C9A	10 (4)
C306—N303—C307—C309	176.0 (14)	C10A—C9A—C8A—O2A	−179 (2)
C306—C303—C304—C305	178.7 (17)	C10A—C9A—C8A—C7A	1 (3)
C306—C303—C302—C301	−178.6 (18)	C13A—C5A—C6A—C1A	178 (3)
N306—C314—C315—C316	0 (3)	Zn46—N319—C355—C356	−174.2 (14)
N306—C318—C317—C316	0 (4)	Zn46—N319—C359—C358	173.7 (19)
C324—N309—C325—N310	−1.6 (19)	Zn46—N318—C354—C353	171.5 (16)
C324—N309—C325—C327	175.7 (11)	Zn46—N318—C350—C351	−170 (2)
C324—N308—C326—N310	3 (2)	Zn35^v—N323—C365—C364	−172.3 (12)
C324—N308—C326—C334	179.4 (14)	Zn35^v—N323—C366—C367	174.4 (18)
C324—C321—C320—C319	176.2 (17)	Zn35—N317—C348—C349	−175.3 (16)
C324—C321—C422—C423	−175 (4)	Zn35—N317—C347—C346	171 (2)
C324—C321—C322—C323	−172 (3)	Zn31^iv—N311—C329—C328	−172.6 (10)
C327—C325—N310—C326	−175.9 (12)	Zn31^iv—N311—C330—C331	172.2 (15)
C327—C331—C330—N311	0 (3)	Zn31—N301—C305—C304	−176.9 (15)
N313—C337—C338—C339	5 (4)	Zn31—N301—C301—C302	177.2 (18)
N313—C341—C340—C339	2 (3)	Zn33—N307—C319—C320	−178.7 (14)
C360—N321—C361—N322	−6 (2)	Zn33—N307—C323—C322	−175 (3)
C360—N321—C361—C363	176.1 (11)	Zn33—N306—C314—C315	177.2 (15)
C360—N320—C362—N322	2 (2)	Zn33—N306—C318—C317	−177 (2)
C360—N320—C362—C370	179.9 (13)	Zn44—N313—C337—C338	−178.7 (17)
C360—C357—C356—C355	173.6 (15)	Zn44—N313—C341—C340	176.7 (17)
C360—C357—C358—C359	−173.9 (19)	Zn44—N312—C336—C335	176.2 (19)
C357—C356—C355—N319	2 (3)	Zn44—N312—C332—C333	178 (2)
C357—C358—C359—N319	−1 (4)	Zn53—N307—C319—C320	−179.6 (16)
C308—N304—C307—N303	6 (2)	Zn53—N306—C314—C315	166.2 (16)
C308—N304—C307—C309	−174.2 (14)	Zn53—N306—C318—C317	−168 (2)
C308—N302—C306—N303	7 (2)	Zn42—N305—C312—C313	177.7 (19)
C308—N302—C306—C303	177.0 (14)	Zn42—N305—C311—C310	178.1 (17)
C308—C316—C317—C318	−179.3 (19)	Zn42^vi—N324—C368—C369	−179 (2)
C308—C316—C315—C314	179.2 (16)	Zn42^vi—N324—C372—C371	176.0 (19)
C303—C304—C305—N301	1 (3)	Zn56—N319—C355—C356	−179 (4)
C303—C302—C301—N301	−1 (3)	Zn56—N319—C359—C358	−179 (5)
C321—C320—C319—N307	5 (3)	Zn56—N318—C354—C353	150 (4)
C321—C422—C423—N307	−14 (9)	Zn56—N318—C350—C351	−156 (3)
C307—N304—C308—N302	−1 (2)	Zn52—N305—C312—C313	−166.7 (18)
C307—N304—C308—C316	178.7 (14)	Zn52—N305—C311—C310	168.2 (17)
C307—N303—C306—N302	−3 (2)	Zn52^vi—N324—C368—C369	−167 (2)
C307—N303—C306—C303	−173.0 (14)	Zn52^vi—N324—C372—C371	155.9 (19)
C307—C309—C313—C312	172.2 (18)	Zn54—N313—C337—C338	174 (2)
C307—C309—C310—C311	−176.2 (17)	Zn54—N313—C341—C340	−178 (3)
C365—N323—C366—C367	0 (3)	Zn54—N312—C336—C335	163 (2)
C365—N323—C366—Zn55^v	−173 (2)	Zn54—N312—C332—C333	−168 (3)
C363—C361—N322—C362	−177.4 (13)	Zn55^v—N323—C365—C364	−169.0 (17)
C363—C367—C366—N323	−5 (4)	Zn55^v—N323—C366—C367	173 (2)
C363—C367—C366—Zn55^v	15 (10)	Zn55—N317—C348—C349	172 (2)
C344—N316—C343—N315	6 (2)	Zn55—N317—C347—C346	−177 (3)
C344—N316—C343—C345	177.4 (15)	C15A—O3A—C12A—C7A	−179 (3)
C344—N314—C342—N315	4 (3)	C15A—O3A—C12A—C11A	−1 (4)
C344—N314—C342—C339	−175.7 (15)	C323—N307—C319—C320	−17 (3)
C344—C352—C353—C354	−175.5 (18)	C322—C321—C320—C319	4 (3)
C344—C352—C351—C350	178 (2)	C4B—C5B—C6B—C1B	0.0
C352—C353—C354—N318	−2 (3)	C4B—C5B—C13B—O1B	168 (5)
C352—C351—C350—N318	−2 (4)	C4B—C7B—C12B—C11B	166 (4)
C329—N311—C330—C331	−5 (3)	C4B—C7B—C12B—O3B	−15 (5)
C304—C303—C302—C301	0 (3)	C4B—C7B—C8B—C9B	−166 (4)
C364—C363—C367—C366	8 (3)	C4B—C7B—C8B—O2B	13 (5)
C343—N316—C344—N314	−7 (2)	C5B—C4B—C3B—C2B	0.0
C343—N316—C344—C352	174.3 (15)	C5B—C4B—C7B—C12B	−85 (4)
C343—N315—C342—N314	−5 (3)	C5B—C4B—C7B—C8B	81 (4)
C343—N315—C342—C339	174.9 (15)	C5B—C6B—C1B—C2B	0.0
C343—C345—C346—C347	178 (2)	C6B—C5B—C13B—O1B	−13 (6)
C349—C345—C346—C347	−7 (3)	C6B—C1B—C2B—C3B	0.0
C356—C357—C358—C359	7 (3)	C1B—C2B—C3B—C4B	0.0
C312—N305—C311—C310	−3 (3)	C3B—C4B—C5B—C6B	0.0
N312—C336—C335—C334	8 (4)	C3B—C4B—C5B—C13B	179 (3)
N312—C332—C333—C334	2 (4)	C3B—C4B—C7B—C12B	90 (4)
C314—N306—C318—C317	0 (3)	C3B—C4B—C7B—C8B	−104 (4)
C345—C349—C348—N317	0 (3)	C7B—C4B—C5B—C6B	175 (4)
C345—C346—C347—N317	9 (4)	C7B—C4B—C5B—C13B	−7 (4)
C302—C303—C304—C305	1 (3)	C7B—C4B—C3B—C2B	−175 (4)
C326—N308—C324—N309	−3 (2)	C7B—C12B—C11B—C10B	0.0
C326—N308—C324—C321	174.2 (14)	C7B—C12B—O3B—C15B	155 (6)
C326—C334—C335—C336	175 (2)	C7B—C8B—O2B—C14B	−125 (12)
C326—C334—C333—C332	−179 (2)	C12B—C7B—C8B—C9B	0.0
C328—C327—C331—C330	5 (3)	C12B—C7B—C8B—O2B	179 (3)
C318—N306—C314—C315	−1 (3)	C12B—C11B—C10B—C9B	0.0
C342—N315—C343—N316	0 (3)	C11B—C12B—O3B—C15B	−25 (7)
C342—N315—C343—C345	−172.5 (15)	C11B—C10B—C9B—C8B	0.0
C342—N314—C344—N316	2 (2)	C10B—C9B—C8B—C7B	0.0
C342—N314—C344—C352	−178.8 (16)	C10B—C9B—C8B—O2B	−179 (3)
C342—C339—C338—C337	−179 (2)	C9B—C8B—O2B—C14B	55 (12)
C342—C339—C340—C341	175.6 (19)	C8B—C7B—C12B—C11B	0.0
C311—N305—C312—C313	−1 (3)	C8B—C7B—C12B—O3B	180 (3)
C353—C352—C351—C350	0 (3)	O3B—C12B—C11B—C10B	−180 (4)
C320—C321—C422—C423	44 (6)	C13B—C5B—C6B—C1B	−179 (3)
C320—C321—C322—C323	0 (4)

Symmetry codes: (i) x−1/2, −y, z−1/2; (ii) x−1/2, −y+1, z−1/2; (iii) x, y−1, z−1; (iv) x+1/2, −y, z+1/2; (v) x+1/2, −y+1, z+1/2; (vi) x, y+1, z+1.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (50_1_24b)

Crystal data

C36H24I6N12Zn3·0.271(C15H16O3)	F(000) = 6138
Mr = 1648.34	Dx = 1.377 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.561 (2) Å	Cell parameters from 8721 reflections
b = 14.9900 (6) Å	θ = 2.6–71.9°
c = 31.380 (3) Å	µ = 19.58 mm^−1
β = 102.080 (6)°	T = 100 K
V = 15897.2 (18) Å^3	Block, pale yellow
Z = 8	0.2 × 0.15 × 0.08 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	14455 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	10046 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.035
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −37→41
Absorption correction: analytical CrysAlisPro 1.171.41.89a (Rigaku Oxford Diffraction, 2020) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −18→15
Tmin = 0.101, Tmax = 0.339	l = −37→36
51491 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.096	H-atom parameters constrained
wR(F^2) = 0.326	w = 1/[σ^2(Fo^2) + (0.1811P)^2 + 90.1494P] where P = (Fo^2 + 2Fc^2)/3
S = 1.07	(Δ/σ)max < 0.001
14455 reflections	Δρmax = 1.09 e Å^−3
757 parameters	Δρmin = −0.74 e Å^−3
309 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I304	0.39240 (14)	0.2577 (3)	0.40302 (18)	0.1348 (15)	0.645
I305	0.51937 (16)	1.1433 (3)	0.62770 (16)	0.1408 (15)	0.59 (2)
I306	0.6143 (2)	1.2387 (4)	0.5635 (2)	0.1306 (17)	0.59 (2)
I303	0.35246 (12)	0.4150 (4)	0.51012 (11)	0.1246 (9)	0.645
I302	0.23673 (9)	1.23169 (11)	0.29476 (10)	0.1063 (8)	0.516 (4)
Zn32	0.37593 (14)	0.4014 (4)	0.4386 (2)	0.099 (2)	0.645
I301	0.12980 (8)	1.16174 (15)	0.19661 (6)	0.1214 (9)	0.516 (4)
Zn33	0.5788 (3)	1.1173 (4)	0.5955 (3)	0.100 (2)	0.59 (2)
Zn31	0.17456 (14)	1.1400 (2)	0.27041 (13)	0.0868 (10)	0.516 (4)
N308	0.5244 (2)	0.7285 (5)	0.4723 (3)	0.086 (2)
N302	0.2355 (3)	0.6905 (5)	0.3100 (3)	0.091 (3)
N303	0.1809 (3)	0.6821 (5)	0.2511 (3)	0.087 (3)
N304	0.2201 (3)	0.5537 (5)	0.2720 (3)	0.090 (3)
N310	0.5771 (3)	0.7775 (6)	0.4401 (4)	0.097 (3)
N312	0.5666 (3)	1.0154 (6)	0.5486 (4)	0.102 (3)
N306	0.3340 (3)	0.4684 (6)	0.3922 (3)	0.100 (3)
N309	0.5424 (3)	0.6448 (6)	0.4159 (4)	0.105 (3)
N305	0.1202 (3)	0.4516 (6)	0.1424 (3)	0.106 (3)
N307	0.4241 (3)	0.4834 (7)	0.4443 (4)	0.104 (3)
C326	0.5530 (3)	0.7852 (6)	0.4673 (4)	0.088 (3)
N301	0.1904 (3)	1.0073 (6)	0.2835 (5)	0.116 (4)
C334	0.5575 (3)	0.8670 (7)	0.4957 (4)	0.086 (3)
C316	0.2743 (4)	0.5568 (7)	0.3351 (4)	0.091 (3)
C306	0.2054 (3)	0.7263 (6)	0.2817 (3)	0.082 (3)
C321	0.4870 (3)	0.5964 (7)	0.4450 (5)	0.097 (4)
C313	0.1740 (4)	0.4557 (7)	0.2035 (4)	0.094 (3)
H313	0.195390	0.425586	0.221843	0.113*
N311	0.6467 (4)	0.6611 (8)	0.3264 (7)	0.143 (6)
C303	0.1996 (3)	0.8246 (6)	0.2840 (4)	0.090 (3)
C309	0.1658 (4)	0.5444 (6)	0.2110 (3)	0.089 (3)
C324	0.5205 (3)	0.6592 (7)	0.4447 (5)	0.091 (3)
C307	0.1909 (4)	0.5950 (6)	0.2474 (3)	0.092 (3)
C308	0.2413 (4)	0.6030 (6)	0.3047 (3)	0.087 (3)
C333	0.5309 (4)	0.8877 (7)	0.5189 (5)	0.106 (4)
H333	0.508065	0.851564	0.517119	0.128*
C318	0.3124 (4)	0.4267 (7)	0.3577 (5)	0.105 (4)
H318	0.317972	0.366023	0.352614	0.126*
C312	0.1504 (4)	0.4123 (7)	0.1685 (4)	0.106 (4)
H312	0.156085	0.351805	0.163128	0.127*
C322	0.4660 (4)	0.5991 (9)	0.4764 (5)	0.104 (4)
H322	0.472466	0.640639	0.499620	0.125*
C323	0.4349 (4)	0.5411 (9)	0.4744 (5)	0.110 (4)
H323	0.420481	0.544028	0.496972	0.132*
C325	0.5701 (4)	0.7051 (7)	0.4151 (6)	0.112 (4)
C327	0.5971 (4)	0.6895 (9)	0.3838 (6)	0.117 (5)
C332	0.5364 (4)	0.9625 (8)	0.5460 (4)	0.099 (3)
H332	0.517457	0.975116	0.563171	0.119*
C317	0.2824 (4)	0.4693 (6)	0.3295 (4)	0.098 (4)
H317	0.267168	0.437301	0.305665	0.118*
C304	0.2269 (4)	0.8785 (7)	0.3103 (4)	0.100 (4)
H304	0.248982	0.853546	0.329850	0.121*
C314	0.3252 (5)	0.5560 (7)	0.3973 (5)	0.126 (6)
H314	0.339564	0.586474	0.422161	0.151*
C315	0.2978 (5)	0.6017 (7)	0.3697 (4)	0.115 (5)
H315	0.294493	0.663840	0.373577	0.138*
C302	0.1672 (4)	0.8650 (8)	0.2584 (5)	0.117 (5)
H302	0.147920	0.829376	0.239963	0.140*
C305	0.2214 (4)	0.9707 (8)	0.3075 (6)	0.111 (4)
H305	0.241235	1.008227	0.323843	0.133*
C336	0.5917 (6)	0.9966 (10)	0.5249 (6)	0.131 (5)
H336	0.613913	1.034614	0.526408	0.157*
C335	0.5878 (5)	0.9234 (9)	0.4972 (5)	0.116 (4)
H335	0.606518	0.913494	0.479422	0.139*
C310	0.1344 (5)	0.5858 (8)	0.1834 (5)	0.150 (8)
H310	0.128172	0.646416	0.187641	0.181*
C328	0.5864 (6)	0.6317 (13)	0.3489 (7)	0.151 (7)
H328	0.562066	0.599847	0.343813	0.181*
C311	0.1128 (6)	0.5380 (8)	0.1502 (5)	0.152 (8)
H311	0.091207	0.566569	0.131485	0.183*
C331	0.6323 (5)	0.7332 (11)	0.3872 (8)	0.149 (7)
H331	0.639301	0.777529	0.409079	0.179*
C329	0.6138 (6)	0.6225 (12)	0.3209 (9)	0.171 (10)
H329	0.606700	0.584354	0.296343	0.205*
C319	0.4326 (7)	0.5041 (17)	0.4057 (8)	0.105 (4)	0.506 (15)
H319	0.415587	0.485524	0.379376	0.126*	0.506 (15)
C320	0.4677 (7)	0.5546 (17)	0.4047 (8)	0.105 (4)	0.506 (15)
H320	0.477667	0.560147	0.378856	0.126*	0.506 (15)
I402	0.25523 (10)	1.21512 (18)	0.3272 (2)	0.1494 (19)	0.484 (4)
Zn41	0.18859 (15)	1.1493 (2)	0.2947 (2)	0.1068 (16)	0.484 (4)
I401	0.15099 (11)	1.20402 (16)	0.22180 (13)	0.1515 (16)	0.484 (4)
I406	0.6287 (6)	1.2195 (6)	0.5592 (3)	0.149 (3)	0.41 (2)
Zn43	0.5850 (5)	1.1185 (8)	0.5923 (4)	0.138 (6)	0.41 (2)
I405	0.5277 (3)	1.1587 (7)	0.6251 (3)	0.188 (4)	0.41 (2)
C301	0.1624 (5)	0.9535 (9)	0.2590 (6)	0.134 (6)
H301	0.139062	0.979439	0.242045	0.161*
C330	0.6577 (6)	0.7159 (13)	0.3605 (9)	0.156 (8)
H330	0.683236	0.742484	0.366079	0.187*
C419	0.4537 (6)	0.4561 (16)	0.4266 (9)	0.105 (4)	0.494 (15)
H419	0.452237	0.398911	0.413270	0.126*	0.494 (15)
C420	0.4879 (7)	0.5109 (14)	0.4271 (9)	0.105 (4)	0.494 (15)
H420	0.509901	0.490332	0.416018	0.126*	0.494 (15)
I404	0.3847 (2)	0.2573 (4)	0.4139 (3)	0.134 (3)	0.3176
Zn42	0.3729 (2)	0.4092 (6)	0.4422 (3)	0.111 (6)	0.3176
I403	0.3482 (4)	0.4349 (11)	0.5116 (4)	0.233 (8)	0.3176
I504	0.3989 (6)	0.2670 (14)	0.3759 (7)	0.080*	0.0373
I503	0.3489 (6)	0.3668 (14)	0.4887 (8)	0.080*	0.0373
Zn52	0.377 (2)	0.396 (4)	0.4162 (17)	0.080*	0.0373
O2A	−0.0194 (9)	0.8190 (17)	0.1087 (8)	0.104 (7)	0.2708
O3A	0.0663 (7)	0.7728 (18)	0.2442 (8)	0.100 (6)	0.2708
C7A	0.0233 (8)	0.7926 (11)	0.1760 (8)	0.089 (7)	0.2708
C8A	−0.0020 (7)	0.7585 (15)	0.1393 (7)	0.087 (6)	0.2708
C9A	−0.0095 (7)	0.6674 (16)	0.1360 (8)	0.099 (8)	0.2708
H9A	−0.026831	0.643992	0.110933	0.119*	0.2708
C10A	0.0083 (8)	0.6104 (11)	0.1693 (10)	0.114 (9)	0.2708
H10A	0.003173	0.548163	0.167051	0.136*	0.2708
C11A	0.0336 (8)	0.6446 (15)	0.2060 (9)	0.105 (9)	0.2708
H11A	0.045822	0.605706	0.228796	0.126*	0.2708
C12A	0.0412 (7)	0.7357 (16)	0.2094 (7)	0.094 (7)	0.2708
C4A	0.0326 (8)	0.8900 (16)	0.1806 (12)	0.085 (6)	0.2708
C15A	0.0803 (13)	0.715 (4)	0.2799 (17)	0.120 (14)	0.2708
H15A	0.093439	0.750496	0.305078	0.180*	0.2708
H15B	0.099206	0.672707	0.272036	0.180*	0.2708
H15C	0.058002	0.682653	0.287216	0.180*	0.2708
O1A	−0.0577 (10)	0.980 (2)	0.2085 (9)	0.108 (9)	0.2708
H1AA	−0.081043	0.961532	0.206381	0.163*	0.2708
C1A	0.0508 (9)	1.0706 (16)	0.1877 (13)	0.096 (8)	0.2708
H1A	0.057658	1.131757	0.192164	0.116*	0.2708
C3A	0.0695 (8)	0.9194 (16)	0.1760 (11)	0.082 (7)	0.2708
H3A	0.088668	0.877557	0.170978	0.099*	0.2708
C2A	0.0785 (9)	1.0097 (16)	0.1787 (12)	0.092 (8)	0.2708
H2A	0.103492	1.029913	0.174493	0.111*	0.2708
C13A	−0.0373 (10)	0.920 (3)	0.1866 (16)	0.104 (9)	0.2708
H13A	−0.051719	0.914666	0.155957	0.124*	0.2708
H13B	−0.036545	0.860798	0.200352	0.124*	0.2708
C14A	−0.0491 (16)	0.788 (4)	0.0740 (14)	0.128 (15)	0.2708
H14A	−0.052909	0.723959	0.077311	0.192*	0.2708
H14B	−0.041170	0.799590	0.046316	0.192*	0.2708
H14C	−0.073934	0.819539	0.074331	0.192*	0.2708
C5A	0.0042 (9)	0.9508 (17)	0.1874 (13)	0.090 (7)	0.2708
C6A	0.0133 (9)	1.0415 (17)	0.1901 (12)	0.094 (8)	0.2708
H6A	−0.006332	1.083555	0.193673	0.113*	0.2708

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I304	0.145 (2)	0.0631 (13)	0.189 (3)	0.0084 (10)	0.0187 (17)	0.0051 (13)
I305	0.151 (2)	0.0880 (17)	0.181 (3)	0.0476 (15)	0.029 (3)	0.0114 (19)
I306	0.160 (3)	0.0559 (17)	0.141 (2)	−0.0205 (15)	−0.0468 (19)	0.0107 (15)
I303	0.0922 (12)	0.153 (2)	0.1264 (17)	0.0052 (13)	0.0182 (12)	0.0475 (15)
I302	0.1302 (17)	0.0560 (8)	0.1413 (18)	−0.0248 (9)	0.0480 (14)	−0.0263 (9)
Zn32	0.086 (3)	0.063 (2)	0.147 (5)	−0.0089 (18)	0.020 (3)	0.018 (3)
I301	0.185 (2)	0.0681 (11)	0.1005 (12)	0.0165 (11)	0.0064 (12)	0.0036 (8)
Zn33	0.114 (3)	0.056 (3)	0.105 (4)	0.012 (2)	−0.030 (3)	0.020 (2)
Zn31	0.117 (3)	0.0452 (14)	0.095 (2)	−0.0038 (15)	0.0156 (19)	−0.0064 (14)
N308	0.076 (5)	0.055 (4)	0.117 (7)	−0.005 (4)	−0.005 (4)	0.000 (4)
N302	0.124 (7)	0.036 (3)	0.092 (5)	−0.021 (4)	−0.025 (5)	−0.004 (3)
N303	0.120 (6)	0.043 (4)	0.077 (5)	−0.023 (4)	−0.030 (4)	0.007 (3)
N304	0.121 (7)	0.046 (4)	0.081 (5)	−0.029 (4)	−0.028 (5)	0.003 (3)
N310	0.076 (5)	0.065 (5)	0.140 (8)	−0.002 (4)	0.002 (6)	0.007 (5)
N312	0.101 (7)	0.062 (5)	0.122 (8)	−0.011 (5)	−0.023 (6)	0.013 (5)
N306	0.109 (6)	0.054 (4)	0.118 (7)	−0.021 (4)	−0.019 (5)	0.015 (4)
N309	0.080 (5)	0.060 (5)	0.176 (10)	−0.004 (4)	0.025 (6)	−0.012 (6)
N305	0.130 (8)	0.062 (5)	0.096 (6)	−0.022 (5)	−0.044 (6)	−0.001 (4)
N307	0.085 (6)	0.080 (6)	0.139 (9)	−0.016 (5)	0.007 (6)	−0.007 (6)
C326	0.065 (5)	0.047 (5)	0.137 (9)	0.001 (4)	−0.009 (6)	0.005 (5)
N301	0.107 (7)	0.046 (4)	0.199 (12)	0.001 (5)	0.042 (8)	0.009 (6)
C334	0.073 (6)	0.061 (5)	0.111 (8)	−0.001 (5)	−0.011 (6)	0.002 (5)
C316	0.115 (8)	0.054 (5)	0.088 (7)	−0.027 (5)	−0.017 (6)	0.005 (4)
C306	0.109 (7)	0.051 (5)	0.070 (5)	−0.016 (5)	−0.018 (5)	0.001 (4)
C321	0.075 (6)	0.050 (5)	0.161 (12)	−0.001 (4)	0.012 (7)	−0.018 (6)
C313	0.115 (8)	0.064 (6)	0.086 (7)	−0.011 (5)	−0.018 (6)	−0.008 (5)
N311	0.122 (9)	0.062 (6)	0.270 (19)	0.018 (6)	0.098 (11)	0.033 (9)
C303	0.099 (7)	0.047 (5)	0.110 (8)	−0.018 (5)	−0.007 (6)	0.003 (5)
C309	0.113 (8)	0.056 (5)	0.080 (6)	−0.028 (5)	−0.017 (5)	−0.003 (4)
C324	0.063 (5)	0.054 (5)	0.152 (10)	0.000 (4)	0.010 (6)	−0.001 (6)
C307	0.135 (9)	0.052 (5)	0.072 (6)	−0.035 (5)	−0.017 (6)	0.004 (4)
C308	0.120 (8)	0.046 (4)	0.080 (6)	−0.021 (5)	−0.014 (5)	0.010 (4)
C333	0.085 (7)	0.055 (6)	0.161 (12)	−0.001 (5)	−0.015 (8)	0.001 (6)
C318	0.113 (8)	0.055 (5)	0.125 (9)	−0.007 (5)	−0.024 (7)	−0.004 (6)
C312	0.148 (11)	0.061 (6)	0.085 (7)	−0.014 (6)	−0.029 (7)	−0.007 (5)
C322	0.094 (8)	0.082 (7)	0.123 (10)	−0.021 (6)	−0.007 (7)	0.007 (7)
C323	0.103 (8)	0.093 (8)	0.119 (10)	−0.022 (7)	−0.013 (7)	0.002 (7)
C325	0.086 (7)	0.053 (6)	0.192 (14)	−0.001 (5)	0.018 (8)	0.005 (7)
C327	0.099 (8)	0.068 (7)	0.191 (15)	0.001 (6)	0.050 (9)	0.011 (8)
C332	0.096 (7)	0.077 (7)	0.110 (8)	0.020 (6)	−0.009 (6)	0.006 (6)
C317	0.119 (8)	0.047 (5)	0.109 (8)	−0.018 (5)	−0.021 (7)	−0.006 (5)
C304	0.113 (8)	0.045 (5)	0.128 (9)	−0.010 (5)	−0.012 (7)	−0.016 (5)
C314	0.164 (12)	0.057 (6)	0.114 (9)	−0.017 (7)	−0.069 (9)	−0.005 (6)
C315	0.156 (11)	0.049 (5)	0.108 (8)	−0.010 (6)	−0.045 (8)	0.001 (5)
C302	0.117 (9)	0.071 (7)	0.135 (10)	−0.023 (6)	−0.032 (8)	0.027 (7)
C305	0.102 (8)	0.056 (6)	0.172 (13)	−0.012 (6)	0.024 (9)	−0.018 (7)
C336	0.124 (12)	0.089 (9)	0.174 (15)	−0.038 (9)	0.018 (11)	−0.015 (10)
C335	0.130 (10)	0.091 (9)	0.127 (10)	−0.045 (8)	0.025 (8)	−0.013 (7)
C310	0.198 (15)	0.052 (6)	0.143 (11)	−0.019 (7)	−0.100 (11)	0.000 (6)
C328	0.130 (13)	0.125 (13)	0.21 (2)	−0.035 (10)	0.070 (14)	−0.043 (13)
C311	0.200 (16)	0.058 (6)	0.146 (12)	−0.006 (8)	−0.085 (12)	−0.014 (7)
C331	0.119 (11)	0.101 (10)	0.25 (2)	−0.033 (9)	0.085 (14)	−0.013 (12)
C329	0.153 (15)	0.103 (11)	0.29 (3)	−0.011 (11)	0.129 (19)	−0.040 (14)
C319	0.091 (8)	0.091 (9)	0.122 (11)	−0.028 (6)	−0.003 (7)	−0.012 (7)
C320	0.091 (8)	0.091 (9)	0.122 (11)	−0.028 (6)	−0.003 (7)	−0.012 (7)
I402	0.1237 (19)	0.0763 (13)	0.270 (5)	−0.0508 (13)	0.091 (3)	−0.073 (2)
Zn41	0.117 (3)	0.0412 (15)	0.172 (5)	−0.0147 (17)	0.052 (3)	−0.011 (2)
I401	0.218 (3)	0.0665 (13)	0.183 (3)	0.0077 (15)	0.072 (3)	0.0342 (16)
I406	0.229 (8)	0.060 (2)	0.124 (2)	−0.014 (3)	−0.040 (4)	−0.0082 (19)
Zn43	0.184 (11)	0.072 (6)	0.109 (7)	0.025 (5)	−0.078 (6)	−0.014 (5)
I405	0.190 (5)	0.125 (4)	0.183 (5)	0.078 (3)	−0.110 (5)	−0.050 (4)
C301	0.115 (10)	0.072 (8)	0.196 (16)	−0.005 (7)	−0.011 (10)	0.033 (9)
C330	0.125 (12)	0.099 (12)	0.27 (3)	−0.018 (10)	0.106 (16)	0.002 (14)
C419	0.091 (8)	0.091 (9)	0.122 (11)	−0.028 (6)	−0.003 (7)	−0.012 (7)
C420	0.091 (8)	0.091 (9)	0.122 (11)	−0.028 (6)	−0.003 (7)	−0.012 (7)
I404	0.134 (4)	0.053 (2)	0.165 (5)	−0.009 (2)	−0.077 (5)	0.024 (2)
Zn42	0.100 (6)	0.070 (5)	0.120 (8)	−0.028 (4)	−0.075 (6)	0.030 (4)
I403	0.150 (8)	0.238 (14)	0.280 (12)	−0.035 (7)	−0.023 (6)	0.134 (10)
O2A	0.138 (19)	0.082 (14)	0.102 (14)	0.000 (13)	0.046 (12)	−0.006 (10)
O3A	0.084 (14)	0.090 (15)	0.138 (15)	0.002 (11)	0.046 (11)	0.034 (11)
C7A	0.102 (15)	0.066 (9)	0.112 (14)	0.010 (9)	0.049 (11)	0.001 (9)
C8A	0.101 (15)	0.064 (11)	0.113 (14)	0.003 (10)	0.061 (11)	−0.010 (9)
C9A	0.097 (18)	0.067 (11)	0.15 (2)	0.003 (12)	0.060 (15)	−0.014 (11)
C10A	0.11 (2)	0.067 (15)	0.17 (2)	0.004 (14)	0.061 (17)	0.003 (12)
C11A	0.092 (18)	0.069 (11)	0.17 (2)	0.012 (12)	0.058 (16)	0.018 (13)
C12A	0.082 (15)	0.069 (11)	0.143 (16)	0.011 (10)	0.054 (11)	0.020 (11)
C4A	0.117 (13)	0.066 (9)	0.071 (15)	0.013 (9)	0.015 (13)	0.005 (10)
C15A	0.08 (2)	0.14 (4)	0.15 (2)	0.03 (2)	0.061 (17)	0.06 (2)
O1A	0.117 (18)	0.12 (2)	0.077 (15)	0.061 (17)	0.005 (13)	0.012 (14)
C1A	0.136 (18)	0.058 (13)	0.080 (18)	0.014 (11)	−0.010 (16)	0.005 (14)
C3A	0.107 (13)	0.057 (10)	0.072 (16)	0.014 (10)	−0.005 (13)	0.019 (12)
C2A	0.123 (17)	0.060 (11)	0.080 (18)	0.009 (10)	−0.012 (15)	0.008 (13)
C13A	0.126 (15)	0.079 (17)	0.11 (2)	0.022 (13)	0.026 (17)	−0.006 (17)
C14A	0.17 (3)	0.09 (3)	0.12 (2)	0.00 (3)	0.026 (19)	−0.01 (2)
C5A	0.127 (14)	0.068 (11)	0.075 (16)	0.019 (10)	0.018 (14)	0.003 (13)
C6A	0.139 (17)	0.067 (11)	0.068 (17)	0.020 (12)	0.002 (16)	0.002 (13)

Geometric parameters (Å, º)

I304—Zn32	2.544 (6)	C327—C331	1.37 (2)
I305—Zn33	2.501 (8)	C332—H332	0.9500
I306—Zn33	2.520 (7)	C317—H317	0.9500
I303—Zn32	2.549 (6)	C304—H304	0.9500
I302—Zn31	2.530 (5)	C304—C305	1.395 (16)
Zn32—N306	2.084 (11)	C314—H314	0.9500
Zn32—N307	2.047 (11)	C314—C315	1.330 (17)
I301—Zn31	2.523 (5)	C315—H315	0.9500
Zn33—N312	2.101 (13)	C302—H302	0.9500
Zn33—N305^i	2.098 (12)	C302—C301	1.339 (19)
Zn31—N301	2.082 (10)	C305—H305	0.9500
Zn31—N311^ii	2.195 (17)	C336—H336	0.9500
N308—C326	1.337 (14)	C336—C335	1.39 (2)
N308—C324	1.341 (15)	C335—H335	0.9500
N302—C306	1.329 (13)	C310—H310	0.9500
N302—C308	1.343 (13)	C310—C311	1.352 (16)
N303—C306	1.318 (11)	C328—H328	0.9500
N303—C307	1.361 (14)	C328—C329	1.43 (2)
N304—C307	1.294 (15)	C311—H311	0.9500
N304—C308	1.350 (12)	C331—H331	0.9500
N310—C326	1.319 (16)	C331—C330	1.36 (2)
N310—C325	1.332 (17)	C329—H329	0.9500
N312—C332	1.298 (17)	C319—H319	0.9500
N312—C336	1.29 (2)	C319—C320	1.44 (2)
N312—Zn43	2.075 (14)	C320—H320	0.9500
N306—C318	1.334 (15)	I402—Zn41	2.517 (5)
N306—C314	1.366 (16)	Zn41—I401	2.520 (7)
N306—Zn42	2.041 (12)	I406—Zn43	2.513 (12)
N306—Zn52	1.86 (7)	Zn43—I405	2.489 (12)
N309—C324	1.311 (17)	C301—H301	0.9500
N309—C325	1.321 (15)	C330—H330	0.9500
N305—C312	1.323 (16)	C419—H419	0.9500
N305—C311	1.353 (17)	C419—C420	1.44 (2)
N305—Zn43^iii	2.063 (16)	C420—H420	0.9500
N307—C323	1.277 (17)	I404—Zn42	2.509 (10)
N307—C319	1.34 (2)	Zn42—I403	2.528 (13)
N307—C419	1.33 (2)	I504—Zn52	2.52 (5)
N307—Zn42	2.080 (13)	I503—Zn52	2.68 (5)
N307—Zn52	2.14 (7)	O2A—C8A	1.367 (18)
C326—C334	1.504 (16)	O2A—C14A	1.41 (3)
N301—C305	1.294 (18)	O3A—C12A	1.364 (18)
N301—Zn41	2.160 (10)	O3A—C15A	1.42 (3)
N301—C301	1.368 (19)	C7A—C8A	1.3900
C334—C333	1.324 (19)	C7A—C12A	1.3900
C334—C335	1.338 (17)	C7A—C4A	1.49 (3)
C316—C308	1.494 (15)	C8A—C9A	1.3900
C316—C317	1.360 (15)	C9A—H9A	0.9500
C316—C315	1.386 (15)	C9A—C10A	1.3900
C306—C303	1.492 (13)	C10A—H10A	0.9500
C321—C324	1.494 (15)	C10A—C11A	1.3900
C321—C322	1.34 (2)	C11A—H11A	0.9500
C321—C320	1.44 (2)	C11A—C12A	1.3900
C321—C420	1.40 (2)	C4A—C3A	1.38 (2)
C313—H313	0.9500	C4A—C5A	1.39 (2)
C313—C309	1.391 (16)	C15A—H15A	0.9800
C313—C312	1.385 (14)	C15A—H15B	0.9800
N311—C329	1.25 (2)	C15A—H15C	0.9800
N311—Zn41^iv	1.929 (13)	O1A—H1AA	0.8400
N311—C330	1.34 (3)	O1A—C13A	1.40 (3)
C303—C304	1.378 (14)	C1A—H1A	0.9500
C303—C302	1.374 (17)	C1A—C2A	1.39 (2)
C309—C307	1.490 (13)	C1A—C6A	1.39 (2)
C309—C310	1.385 (17)	C3A—H3A	0.9500
C333—H333	0.9500	C3A—C2A	1.39 (2)
C333—C332	1.397 (18)	C2A—H2A	0.9500
C318—H318	0.9500	C13A—H13A	0.9900
C318—C317	1.373 (16)	C13A—H13B	0.9900
C312—H312	0.9500	C13A—C5A	1.50 (3)
C322—H322	0.9500	C14A—H14A	0.9800
C322—C323	1.373 (18)	C14A—H14B	0.9800
C323—H323	0.9500	C14A—H14C	0.9800
C325—C327	1.51 (2)	C5A—C6A	1.39 (2)
C327—C328	1.39 (2)	C6A—H6A	0.9500
I304—Zn32—I303	126.6 (3)	C314—C315—H315	120.6
N306—Zn32—I304	106.7 (4)	C303—C302—H302	119.4
N306—Zn32—I303	105.9 (4)	C301—C302—C303	121.2 (12)
N307—Zn32—I304	107.1 (4)	C301—C302—H302	119.4
N307—Zn32—I303	106.1 (5)	N301—C305—C304	122.8 (12)
N307—Zn32—N306	101.8 (5)	N301—C305—H305	118.6
I305—Zn33—I306	124.0 (3)	C304—C305—H305	118.6
N312—Zn33—I305	109.6 (5)	N312—C336—H336	118.4
N312—Zn33—I306	106.8 (5)	N312—C336—C335	123.2 (14)
N305^i—Zn33—I305	106.9 (5)	C335—C336—H336	118.4
N305^i—Zn33—I306	108.5 (5)	C334—C335—C336	119.6 (16)
N305^i—Zn33—N312	98.1 (5)	C334—C335—H335	120.2
I301—Zn31—I302	121.74 (16)	C336—C335—H335	120.2
N301—Zn31—I302	106.7 (4)	C309—C310—H310	120.7
N301—Zn31—I301	113.0 (4)	C311—C310—C309	118.6 (12)
N301—Zn31—N311^ii	96.9 (5)	C311—C310—H310	120.7
N311^ii—Zn31—I302	99.6 (5)	C327—C328—H328	121.8
N311^ii—Zn31—I301	115.4 (5)	C327—C328—C329	116.4 (16)
C326—N308—C324	113.2 (11)	C329—C328—H328	121.8
C306—N302—C308	115.4 (8)	N305—C311—H311	118.2
C306—N303—C307	114.1 (9)	C310—C311—N305	123.5 (13)
C307—N304—C308	115.1 (9)	C310—C311—H311	118.2
C326—N310—C325	113.0 (10)	C327—C331—H331	118.7
C332—N312—Zn33	121.9 (12)	C330—C331—C327	123 (2)
C332—N312—Zn43	128.8 (13)	C330—C331—H331	118.7
C336—N312—Zn33	120.2 (9)	N311—C329—C328	125 (2)
C336—N312—C332	117.3 (13)	N311—C329—H329	117.6
C336—N312—Zn43	113.3 (10)	C328—C329—H329	117.6
C318—N306—Zn32	122.0 (8)	N307—C319—H319	120.4
C318—N306—C314	116.4 (10)	N307—C319—C320	119.2 (18)
C318—N306—Zn42	125.9 (8)	C320—C319—H319	120.4
C318—N306—Zn52	108.5 (19)	C321—C320—H320	121.7
C314—N306—Zn32	121.5 (8)	C319—C320—C321	117 (2)
C314—N306—Zn42	117.1 (8)	C319—C320—H320	121.7
C314—N306—Zn52	134 (2)	N301—Zn41—I402	113.4 (4)
C324—N309—C325	115.2 (11)	N301—Zn41—I401	101.6 (4)
C312—N305—Zn33^iii	123.3 (8)	N311^ii—Zn41—N301	103.0 (5)
C312—N305—C311	118.0 (9)	N311^ii—Zn41—I402	118.5 (7)
C312—N305—Zn43^iii	120.6 (8)	N311^ii—Zn41—I401	98.0 (6)
C311—N305—Zn33^iii	118.1 (9)	I402—Zn41—I401	119.6 (2)
C311—N305—Zn43^iii	121.4 (9)	N312—Zn43—I406	107.6 (7)
C323—N307—Zn32	125.4 (11)	N312—Zn43—I405	107.1 (6)
C323—N307—C319	115.2 (14)	N305^i—Zn43—N312	100.1 (6)
C323—N307—C419	112.7 (14)	N305^i—Zn43—I406	108.2 (6)
C323—N307—Zn42	120.1 (11)	N305^i—Zn43—I405	101.7 (6)
C323—N307—Zn52	143.2 (17)	I405—Zn43—I406	128.6 (6)
C319—N307—Zn32	112.8 (11)	N301—C301—H301	119.5
C419—N307—Zn42	123.2 (11)	C302—C301—N301	121.1 (13)
N308—C326—C334	116.0 (12)	C302—C301—H301	119.5
N310—C326—N308	127.1 (11)	N311—C330—C331	119.8 (16)
N310—C326—C334	116.9 (10)	N311—C330—H330	120.1
C305—N301—Zn31	132.2 (9)	C331—C330—H330	120.1
C305—N301—Zn41	111.9 (9)	N307—C419—H419	119.2
C305—N301—C301	118.7 (10)	N307—C419—C420	121.6 (19)
C301—N301—Zn31	109.0 (9)	C420—C419—H419	119.2
C301—N301—Zn41	129.1 (9)	C321—C420—C419	116 (2)
C333—C334—C326	121.2 (10)	C321—C420—H420	122.0
C333—C334—C335	117.4 (12)	C419—C420—H420	122.0
C335—C334—C326	121.3 (13)	N306—Zn42—N307	102.2 (6)
C317—C316—C308	121.0 (9)	N306—Zn42—I404	104.5 (5)
C317—C316—C315	117.8 (11)	N306—Zn42—I403	108.1 (6)
C315—C316—C308	121.3 (10)	N307—Zn42—I404	107.2 (6)
N302—C306—C303	117.4 (8)	N307—Zn42—I403	109.3 (6)
N303—C306—N302	125.2 (9)	I404—Zn42—I403	123.6 (6)
N303—C306—C303	117.3 (9)	N306—Zn52—N307	106 (3)
C322—C321—C324	121.7 (11)	N306—Zn52—I504	123 (3)
C322—C321—C320	115.6 (13)	N306—Zn52—I503	93 (2)
C322—C321—C420	112.5 (15)	N307—Zn52—I504	113 (3)
C320—C321—C324	119.1 (15)	N307—Zn52—I503	97 (2)
C420—C321—C324	119.4 (14)	I504—Zn52—I503	120 (2)
C309—C313—H313	120.8	C8A—O2A—C14A	118 (3)
C312—C313—H313	120.8	C12A—O3A—C15A	116 (4)
C312—C313—C309	118.4 (11)	C8A—C7A—C12A	120.0
C329—N311—Zn31^iv	111.1 (17)	C8A—C7A—C4A	122 (2)
C329—N311—Zn41^iv	130.0 (17)	C12A—C7A—C4A	118 (2)
C329—N311—C330	119.3 (17)	O2A—C8A—C7A	116 (2)
C330—N311—Zn31^iv	129.0 (11)	O2A—C8A—C9A	123 (2)
C330—N311—Zn41^iv	110.5 (12)	C7A—C8A—C9A	120.0
C304—C303—C306	121.8 (10)	C8A—C9A—H9A	120.0
C302—C303—C306	120.5 (9)	C8A—C9A—C10A	120.0
C302—C303—C304	117.7 (10)	C10A—C9A—H9A	120.0
C313—C309—C307	120.7 (10)	C9A—C10A—H10A	120.0
C310—C309—C313	118.9 (9)	C11A—C10A—C9A	120.0
C310—C309—C307	120.4 (10)	C11A—C10A—H10A	120.0
N308—C324—C321	117.2 (11)	C10A—C11A—H11A	120.0
N309—C324—N308	125.3 (10)	C12A—C11A—C10A	120.0
N309—C324—C321	117.3 (11)	C12A—C11A—H11A	120.0
N303—C307—C309	115.9 (10)	O3A—C12A—C7A	117 (2)
N304—C307—N303	126.0 (8)	O3A—C12A—C11A	123 (2)
N304—C307—C309	118.0 (10)	C11A—C12A—C7A	120.0
N302—C308—N304	123.8 (9)	C3A—C4A—C7A	119 (2)
N302—C308—C316	119.3 (8)	C3A—C4A—C5A	120.2 (10)
N304—C308—C316	116.9 (9)	C5A—C4A—C7A	121 (2)
C334—C333—H333	119.9	O3A—C15A—H15A	109.5
C334—C333—C332	120.1 (12)	O3A—C15A—H15B	109.5
C332—C333—H333	119.9	O3A—C15A—H15C	109.5
N306—C318—H318	119.2	H15A—C15A—H15B	109.5
N306—C318—C317	121.6 (11)	H15A—C15A—H15C	109.5
C317—C318—H318	119.2	H15B—C15A—H15C	109.5
N305—C312—C313	122.6 (11)	C13A—O1A—H1AA	109.5
N305—C312—H312	118.7	C2A—C1A—H1A	120.1
C313—C312—H312	118.7	C6A—C1A—H1A	120.1
C321—C322—H322	120.5	C6A—C1A—C2A	119.7 (10)
C321—C322—C323	119.1 (14)	C4A—C3A—H3A	119.8
C323—C322—H322	120.5	C4A—C3A—C2A	120.3 (10)
N307—C323—C322	124.6 (16)	C2A—C3A—H3A	119.8
N307—C323—H323	117.7	C1A—C2A—H2A	120.1
C322—C323—H323	117.7	C3A—C2A—C1A	119.7 (10)
N310—C325—C327	116.6 (11)	C3A—C2A—H2A	120.1
N309—C325—N310	126.2 (14)	O1A—C13A—H13A	109.2
N309—C325—C327	117.2 (13)	O1A—C13A—H13B	109.2
C328—C327—C325	120.8 (13)	O1A—C13A—C5A	112 (3)
C331—C327—C325	122.5 (16)	H13A—C13A—H13B	107.9
C331—C327—C328	116.6 (16)	C5A—C13A—H13A	109.2
N312—C332—C333	122.2 (14)	C5A—C13A—H13B	109.2
N312—C332—H332	118.9	O2A—C14A—H14A	109.5
C333—C332—H332	118.9	O2A—C14A—H14B	109.5
C316—C317—C318	120.9 (10)	O2A—C14A—H14C	109.5
C316—C317—H317	119.5	H14A—C14A—H14B	109.5
C318—C317—H317	119.5	H14A—C14A—H14C	109.5
C303—C304—H304	120.8	H14B—C14A—H14C	109.5
C303—C304—C305	118.4 (12)	C4A—C5A—C13A	120 (2)
C305—C304—H304	120.8	C4A—C5A—C6A	119.5 (10)
N306—C314—H314	117.8	C6A—C5A—C13A	120 (2)
C315—C314—N306	124.4 (10)	C1A—C6A—C5A	120.3 (10)
C315—C314—H314	117.8	C1A—C6A—H6A	119.8
C316—C315—H315	120.6	C5A—C6A—H6A	119.8
C314—C315—C316	118.7 (11)
Zn32—N306—C318—C317	174.0 (11)	C325—C327—C328—C329	179.2 (17)
Zn32—N306—C314—C315	−177.5 (14)	C325—C327—C331—C330	176.4 (18)
Zn32—N307—C323—C322	−176.1 (11)	C327—C328—C329—N311	2 (4)
Zn32—N307—C319—C320	−174 (2)	C327—C331—C330—N311	7 (3)
Zn33—N312—C332—C333	−171.5 (9)	C332—N312—C336—C335	0 (2)
Zn33—N312—C336—C335	171.9 (13)	C317—C316—C308—N302	−176.6 (13)
Zn33^iii—N305—C312—C313	−170.2 (11)	C317—C316—C308—N304	0.7 (19)
Zn33^iii—N305—C311—C310	171.1 (18)	C317—C316—C315—C314	−5 (2)
Zn31—N301—C305—C304	−177.1 (11)	C304—C303—C302—C301	0 (2)
Zn31—N301—C301—C302	174.1 (15)	C314—N306—C318—C317	−1 (2)
Zn31^iv—N311—C329—C328	−172 (2)	C314—N306—Zn52—N307	−17 (4)
Zn31^iv—N311—C330—C331	166.4 (14)	C314—N306—Zn52—I504	−149 (2)
N308—C326—C334—C333	−10.0 (15)	C314—N306—Zn52—I503	82 (3)
N308—C326—C334—C335	172.5 (12)	C315—C316—C308—N302	3 (2)
N302—C306—C303—C304	8.3 (19)	C315—C316—C308—N304	180.0 (13)
N302—C306—C303—C302	−174.3 (13)	C315—C316—C317—C318	1 (2)
N303—C306—C303—C304	−170.2 (13)	C302—C303—C304—C305	−4 (2)
N303—C306—C303—C302	7.2 (19)	C305—N301—C301—C302	−2 (3)
N310—C326—C334—C333	169.2 (11)	C336—N312—C332—C333	0.2 (19)
N310—C326—C334—C335	−8.3 (16)	C335—C334—C333—C332	−4.4 (18)
N310—C325—C327—C328	−162.5 (16)	C310—C309—C307—N303	0 (2)
N310—C325—C327—C331	15 (2)	C310—C309—C307—N304	−179.3 (15)
N312—C336—C335—C334	−2 (3)	C328—C327—C331—C330	−6 (3)
N306—C318—C317—C316	2 (2)	C311—N305—C312—C313	1 (2)
N306—C314—C315—C316	5 (3)	C331—C327—C328—C329	2 (3)
N309—C325—C327—C328	19 (2)	C329—N311—C330—C331	−4 (3)
N309—C325—C327—C331	−163.2 (16)	C319—N307—C323—C322	−27 (2)
N307—C319—C320—C321	−13 (4)	C320—C321—C324—N308	146.1 (16)
N307—C419—C420—C321	−4 (4)	C320—C321—C324—N309	−30 (2)
C326—N308—C324—N309	1.3 (16)	C320—C321—C322—C323	20 (2)
C326—N308—C324—C321	−174.8 (10)	Zn41—N301—C305—C304	171.9 (12)
C326—N310—C325—N309	−0.2 (19)	Zn41—N301—C301—C302	−174.7 (13)
C326—N310—C325—C327	−178.2 (11)	Zn41^iv—N311—C329—C328	174.7 (17)
C326—C334—C333—C332	178.0 (10)	Zn41^iv—N311—C330—C331	179.9 (16)
C326—C334—C335—C336	−177.8 (14)	Zn43—N312—C332—C333	−170.4 (10)
C334—C333—C332—N312	2.1 (18)	Zn43—N312—C336—C335	172.1 (15)
C306—N302—C308—N304	3.2 (18)	Zn43^iii—N305—C312—C313	−177.7 (12)
C306—N302—C308—C316	−179.7 (11)	Zn43^iii—N305—C311—C310	178.1 (18)
C306—N303—C307—N304	3.5 (19)	C301—N301—C305—C304	−2 (2)
C306—N303—C307—C309	−175.4 (11)	C330—N311—C329—C328	0 (3)
C306—C303—C304—C305	173.7 (13)	C419—N307—C323—C322	28 (2)
C306—C303—C302—C301	−177.5 (16)	C420—C321—C324—N308	−161.4 (17)
C321—C322—C323—N307	0 (2)	C420—C321—C324—N309	22 (2)
C313—C309—C307—N303	178.2 (12)	C420—C321—C322—C323	−30 (2)
C313—C309—C307—N304	−0.8 (19)	Zn42—N306—C318—C317	169.0 (12)
C313—C309—C310—C311	0 (3)	Zn42—N306—C314—C315	−173.5 (15)
C303—C304—C305—N301	5 (2)	Zn42—N307—C323—C322	−173.5 (11)
C303—C302—C301—N301	3 (3)	Zn42—N307—C419—C420	177.3 (19)
C309—C313—C312—N305	−1 (2)	Zn52—N306—C318—C317	−170 (2)
C309—C310—C311—N305	0 (3)	Zn52—N306—C314—C315	163 (3)
C324—N308—C326—N310	−2.1 (15)	Zn52—N307—C323—C322	−165 (3)
C324—N308—C326—C334	177.0 (9)	O2A—C8A—C9A—C10A	−178 (3)
C324—N309—C325—N310	0 (2)	C7A—C8A—C9A—C10A	0.0
C324—N309—C325—C327	177.6 (12)	C7A—C4A—C3A—C2A	178 (3)
C324—C321—C322—C323	178.5 (12)	C7A—C4A—C5A—C13A	−5 (6)
C324—C321—C320—C319	−172.2 (19)	C7A—C4A—C5A—C6A	−178 (3)
C324—C321—C420—C419	−177 (2)	C8A—C7A—C12A—O3A	179 (3)
C307—N303—C306—N302	−6.0 (18)	C8A—C7A—C12A—C11A	0.0
C307—N303—C306—C303	172.3 (11)	C8A—C7A—C4A—C3A	−106 (3)
C307—N304—C308—N302	−5.4 (18)	C8A—C7A—C4A—C5A	71 (4)
C307—N304—C308—C316	177.4 (11)	C8A—C9A—C10A—C11A	0.0
C307—C309—C310—C311	178.9 (17)	C9A—C10A—C11A—C12A	0.0
C308—N302—C306—N303	3.0 (19)	C10A—C11A—C12A—O3A	−179 (3)
C308—N302—C306—C303	−175.4 (11)	C10A—C11A—C12A—C7A	0.0
C308—N304—C307—N303	1.8 (19)	C12A—C7A—C8A—O2A	178 (2)
C308—N304—C307—C309	−179.3 (11)	C12A—C7A—C8A—C9A	0.0
C308—C316—C317—C318	−179.2 (13)	C12A—C7A—C4A—C3A	73 (4)
C308—C316—C315—C314	176.0 (15)	C12A—C7A—C4A—C5A	−110 (3)
C333—C334—C335—C336	5 (2)	C4A—C7A—C8A—O2A	−3 (3)
C318—N306—C314—C315	−2 (3)	C4A—C7A—C8A—C9A	179 (3)
C318—N306—Zn52—N307	149.2 (16)	C4A—C7A—C12A—O3A	0 (3)
C318—N306—Zn52—I504	17 (4)	C4A—C7A—C12A—C11A	−179 (2)
C318—N306—Zn52—I503	−112.2 (16)	C4A—C3A—C2A—C1A	2 (6)
C312—N305—C311—C310	0 (3)	C4A—C5A—C6A—C1A	−2 (6)
C312—C313—C309—C307	−178.5 (13)	C15A—O3A—C12A—C7A	173 (3)
C312—C313—C309—C310	0 (2)	C15A—O3A—C12A—C11A	−8 (4)
C322—C321—C324—N308	−11.7 (17)	O1A—C13A—C5A—C4A	159 (4)
C322—C321—C324—N309	171.9 (12)	O1A—C13A—C5A—C6A	−28 (6)
C322—C321—C320—C319	−13 (3)	C3A—C4A—C5A—C13A	172 (4)
C322—C321—C420—C419	31 (3)	C3A—C4A—C5A—C6A	−1 (6)
C323—N307—C319—C320	33 (3)	C2A—C1A—C6A—C5A	6 (6)
C323—N307—C419—C420	−25 (3)	C13A—C5A—C6A—C1A	−175 (4)
C325—N310—C326—N308	1.6 (16)	C14A—O2A—C8A—C7A	−172 (3)
C325—N310—C326—C334	−177.5 (10)	C14A—O2A—C8A—C9A	6 (5)
C325—N309—C324—N308	−0.2 (18)	C5A—C4A—C3A—C2A	1 (6)
C325—N309—C324—C321	176.0 (11)	C6A—C1A—C2A—C3A	−6 (6)

Symmetry codes: (i) x+1/2, −y+3/2, z+1/2; (ii) x−1/2, y+1/2, z; (iii) x−1/2, −y+3/2, z−1/2; (iv) x+1/2, y−1/2, z.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (50_1_24c)

Crystal data

C72H48I12N24Zn6·0.697(C15H16O3)·0.431(C6H12)	F(000) = 6297
Mr = 3369.96	Dx = 1.405 Mg m^−3
Monoclinic, P2/n	Cu Kα radiation, λ = 1.54184 Å
a = 31.5355 (9) Å	Cell parameters from 13421 reflections
b = 14.9866 (4) Å	θ = 2.6–73.0°
c = 34.4588 (11) Å	µ = 19.55 mm^−1
β = 101.931 (3)°	T = 100 K
V = 15933.8 (8) Å^3	Block, light yellow
Z = 4	0.23 × 0.13 × 0.09 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	28949 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	21213 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.057
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.1°
profile data from ω–scans	h = −29→37
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −18→14
Tmin = 0.061, Tmax = 0.345	l = −41→41
114741 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.122	H-atom parameters constrained
wR(F^2) = 0.351	w = 1/[σ^2(Fo^2) + (0.1333P)^2 + 267.6933P] where P = (Fo^2 + 2Fc^2)/3
S = 1.08	(Δ/σ)max = 0.004
28949 reflections	Δρmax = 1.28 e Å^−3
1473 parameters	Δρmin = −1.14 e Å^−3
350 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). Exchange site B was located over a two-fold symmetry axis and was modelled in PART -1. Guest B and multiple solvent molecules were located over two-fold symmetry sites or were determined to have a low occupancy, these were modelled isotropic to prevent over-expansion of thermal ellipsoids. During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I01	0.7089 (4)	0.0189 (7)	0.5146 (3)	0.103 (6)	0.2101
I301	0.58637 (9)	0.9942 (2)	0.34948 (18)	0.0717 (15)	0.567 (19)
I408	0.3739 (3)	−0.3912 (7)	0.7314 (3)	0.135 (4)	0.3949
I302	0.48595 (13)	0.8353 (4)	0.39510 (17)	0.0855 (16)	0.567 (19)
I412	−0.1408 (3)	0.8990 (6)	0.7237 (2)	0.073 (3)	0.35 (2)
I407	0.4369 (3)	−0.4844 (5)	0.6356 (3)	0.163 (5)	0.3949
I305	0.6047 (3)	0.4869 (4)	0.8596 (3)	0.172 (5)	0.580 (3)
I08	0.8022 (4)	0.0993 (10)	0.6243 (5)	0.135 (8)	0.2101
I411	−0.0664 (2)	0.9988 (4)	0.63465 (16)	0.072 (3)	0.35 (2)
I306	0.4985 (2)	0.3367 (6)	0.90129 (19)	0.178 (4)	0.580 (3)
I310	0.17151 (11)	0.46354 (12)	0.49323 (7)	0.0993 (9)	0.691 (5)
I309	0.27753 (7)	0.45991 (11)	0.59814 (7)	0.0945 (8)	0.691 (5)
Zn44	0.4094 (3)	−0.3599 (7)	0.6731 (3)	0.115 (9)	0.3949
Zn31	0.5556 (2)	0.8490 (5)	0.36986 (19)	0.061 (2)	0.567 (19)
Zn33	0.5698 (2)	0.3466 (4)	0.87936 (17)	0.105 (4)	0.580 (3)
Zn46	−0.1021 (3)	0.8777 (6)	0.6673 (4)	0.053 (3)	0.35 (2)
Zn52	0.7312 (5)	0.1168 (9)	0.5760 (5)	0.112 (14)	0.2101
Zn35	0.20477 (14)	0.40362 (17)	0.56076 (11)	0.0676 (9)	0.691 (5)
N316	0.1894 (4)	−0.0578 (6)	0.5209 (4)	0.062 (3)
N315	0.2298 (4)	−0.1915 (6)	0.5369 (3)	0.057 (3)
N310	0.5359 (4)	0.0245 (8)	0.7281 (4)	0.063 (3)
N322	0.0197 (4)	0.4834 (7)	0.7223 (4)	0.068 (4)
N306	0.7214 (5)	0.2496 (9)	0.5595 (4)	0.074 (4)
N303	0.7248 (4)	0.7022 (8)	0.5230 (4)	0.070 (4)
N314	0.2504 (4)	−0.0605 (6)	0.5754 (3)	0.058 (3)
N321	0.0756 (5)	0.4005 (9)	0.7034 (4)	0.077 (4)
N312	0.4563 (4)	−0.2581 (8)	0.6852 (4)	0.070 (4)
N308	0.5669 (4)	−0.0227 (8)	0.6752 (4)	0.063 (3)
N309	0.5921 (5)	0.1067 (8)	0.7107 (4)	0.070 (4)
N302	0.6879 (4)	0.5655 (7)	0.5075 (4)	0.070 (4)
N313	0.3602 (4)	−0.2870 (7)	0.6351 (4)	0.080 (5)
N318	0.2111 (5)	0.2629 (8)	0.5598 (4)	0.076 (4)
N304	0.7476 (4)	0.5766 (8)	0.5635 (4)	0.073 (4)
N305	0.8532 (5)	0.8061 (8)	0.6251 (4)	0.084 (5)
N317	0.1125 (5)	−0.2797 (8)	0.4229 (4)	0.077 (4)
C326	0.5399 (5)	−0.0316 (8)	0.6989 (4)	0.053 (3)
C345	0.1671 (5)	−0.1905 (8)	0.4837 (4)	0.059 (4)
N323	0.0478 (5)	0.2346 (9)	0.8211 (4)	0.077 (4)
N311	0.5640 (5)	0.2631 (9)	0.8312 (4)	0.080 (4)
N324	−0.0564 (5)	0.7726 (9)	0.6804 (5)	0.081 (4)
C325	0.5641 (5)	0.0928 (9)	0.7327 (4)	0.058 (4)
N320	0.0505 (6)	0.5337 (9)	0.6695 (5)	0.086 (4)
C344	0.2183 (5)	−0.0201 (8)	0.5506 (4)	0.060 (4)
C361	0.0469 (5)	0.4158 (8)	0.7261 (4)	0.061 (4)
N301	0.6024 (5)	0.7824 (9)	0.4102 (5)	0.082 (4)
C355	0.1687 (8)	0.3812 (15)	0.6325 (7)	0.112 (8)
H355	0.191730	0.339691	0.640081	0.135*
C352	0.2142 (5)	0.0794 (8)	0.5547 (4)	0.063 (4)
C362	0.0238 (6)	0.5409 (10)	0.6938 (5)	0.068 (4)
C363	0.0466 (6)	0.3497 (9)	0.7580 (4)	0.065 (4)
C327	0.5641 (6)	0.1539 (9)	0.7661 (5)	0.065 (4)
C306	0.6940 (5)	0.6525 (10)	0.5025 (5)	0.072 (5)
C339	0.2914 (5)	−0.1952 (8)	0.5908 (5)	0.065 (4)
C321	0.6238 (6)	0.0656 (12)	0.6549 (5)	0.081 (5)
C303	0.6620 (5)	0.6967 (8)	0.4703 (5)	0.069 (5)
C308	0.7161 (5)	0.5310 (9)	0.5385 (5)	0.070 (4)
C334	0.5118 (5)	−0.1134 (10)	0.6954 (5)	0.066 (4)
C338	0.2990 (5)	−0.2831 (10)	0.5829 (5)	0.074 (5)
H338	0.280141	−0.313409	0.561991	0.089*
C301	0.6362 (6)	0.8261 (10)	0.4319 (6)	0.081 (5)
H301	0.639784	0.887630	0.426643	0.097*
N307	0.6803 (6)	0.0966 (10)	0.6056 (5)	0.089 (5)
C324	0.5926 (6)	0.0468 (10)	0.6820 (4)	0.075 (5)
C316	0.7166 (5)	0.4337 (9)	0.5450 (5)	0.069 (4)
C346	0.1756 (6)	−0.2783 (9)	0.4734 (5)	0.077 (5)
H346	0.200682	−0.309216	0.486739	0.093*
C343	0.1962 (5)	−0.1435 (8)	0.5162 (5)	0.060 (4)
C310	0.7907 (6)	0.8040 (10)	0.5715 (5)	0.077 (5)
H310	0.771246	0.835303	0.551301	0.092*
C342	0.2541 (4)	−0.1479 (8)	0.5671 (4)	0.058 (4)
C335	0.4893 (5)	−0.1364 (11)	0.7221 (5)	0.070 (4)
H335	0.492101	−0.101504	0.745473	0.084*
C370	−0.0029 (6)	0.6238 (10)	0.6899 (6)	0.075 (5)
C309	0.7857 (5)	0.7142 (10)	0.5773 (5)	0.074 (5)
C347	0.1466 (6)	−0.3175 (11)	0.4435 (5)	0.080 (5)
H347	0.151949	−0.377664	0.437321	0.096*
C354	0.1894 (7)	0.2201 (10)	0.5291 (6)	0.087 (5)
H354	0.172910	0.254333	0.508056	0.104*
C371	−0.0289 (7)	0.6414 (11)	0.7159 (5)	0.087 (6)
H371	−0.028824	0.603937	0.738182	0.105*
C353	0.1886 (6)	0.1298 (10)	0.5252 (5)	0.080 (5)
H353	0.170974	0.101934	0.502844	0.096*
C307	0.7498 (5)	0.6645 (9)	0.5533 (5)	0.074 (5)
C304	0.6272 (6)	0.6515 (10)	0.4467 (6)	0.091 (6)
H304	0.623607	0.589419	0.450481	0.109*
C331	0.5299 (6)	0.1596 (10)	0.7836 (5)	0.078 (5)
H331	0.504701	0.124971	0.773952	0.094*
C312	0.8476 (7)	0.7226 (11)	0.6288 (6)	0.113 (9)
H312	0.869175	0.692309	0.647461	0.136*
C367	0.0187 (6)	0.3585 (11)	0.7832 (4)	0.074 (5)
H367	−0.001865	0.405623	0.779029	0.089*
C337	0.3343 (5)	−0.3273 (10)	0.6056 (5)	0.080 (5)
H337	0.339717	−0.387654	0.599725	0.097*
C357	0.1050 (6)	0.4466 (11)	0.6473 (6)	0.083 (5)
O2A	0.2549 (7)	0.0282 (14)	0.6847 (6)	0.085 (6)	0.5419
C302	0.6651 (6)	0.7868 (10)	0.4605 (5)	0.081 (5)
H302	0.688567	0.821048	0.474733	0.097*
C314	0.6963 (6)	0.2811 (11)	0.5282 (7)	0.089 (6)
H314	0.678991	0.240661	0.510340	0.107*
C305	0.5986 (6)	0.6961 (10)	0.4184 (6)	0.105 (8)
H305	0.574632	0.664046	0.403626	0.125*
C336	0.4615 (5)	−0.2098 (11)	0.7174 (5)	0.071 (4)
H336	0.446407	−0.224639	0.737617	0.085*
C356	0.1409 (7)	0.3967 (15)	0.6585 (7)	0.101 (6)
H356	0.147392	0.371748	0.684427	0.121*
C350	0.2354 (7)	0.2162 (10)	0.5881 (6)	0.091 (6)
H350	0.251933	0.246927	0.610274	0.109*
C372	−0.0563 (6)	0.7181 (11)	0.7087 (5)	0.078 (5)
H372	−0.075654	0.728903	0.725958	0.093*
C318	0.7432 (7)	0.3065 (12)	0.5845 (6)	0.094 (6)
H318	0.760763	0.284389	0.608306	0.113*
C349	0.1303 (6)	−0.1514 (9)	0.4625 (6)	0.087 (6)
H349	0.123023	−0.092317	0.468759	0.104*
C340	0.3186 (6)	−0.1557 (11)	0.6213 (6)	0.092 (6)
H340	0.313950	−0.095671	0.628212	0.110*
C360	0.0759 (6)	0.4619 (11)	0.6754 (5)	0.076 (5)
C348	0.1039 (6)	−0.1960 (9)	0.4324 (6)	0.091 (6)
H348	0.078788	−0.167073	0.417842	0.109*
C323	0.6458 (8)	0.0418 (13)	0.5932 (6)	0.097 (6)
H323	0.640144	0.017614	0.567131	0.116*
C332	0.4809 (6)	−0.2428 (11)	0.6582 (7)	0.086 (5)
H332	0.479505	−0.281436	0.636077	0.104*
C341	0.3530 (6)	−0.2026 (11)	0.6419 (7)	0.113 (9)
H341	0.372741	−0.172719	0.662310	0.135*
C322	0.6190 (7)	0.0221 (13)	0.6191 (6)	0.097 (7)
H322	0.597099	−0.021981	0.612172	0.116*
C333	0.5082 (6)	−0.1699 (12)	0.6633 (6)	0.081 (5)
H333	0.525177	−0.158162	0.644032	0.097*
C351	0.2380 (6)	0.1253 (12)	0.5870 (6)	0.088 (6)
H351	0.255819	0.093811	0.608166	0.106*
C317	0.7421 (7)	0.3980 (11)	0.5779 (6)	0.091 (6)
H317	0.759463	0.436256	0.596721	0.109*
C366	0.0196 (7)	0.3003 (11)	0.8148 (6)	0.084 (5)
H366	−0.000233	0.308134	0.831879	0.101*
C365	0.0696 (7)	0.2148 (13)	0.7925 (6)	0.066 (4)	0.730 (18)
H365	0.085920	0.161018	0.794441	0.079*	0.730 (18)
C364	0.0690 (7)	0.2703 (12)	0.7603 (6)	0.066 (4)	0.730 (18)
H364	0.083945	0.253991	0.740114	0.079*	0.730 (18)
C315	0.6934 (7)	0.3738 (11)	0.5192 (6)	0.089 (6)
H315	0.675303	0.393991	0.495217	0.107*
C330	0.5313 (7)	0.2175 (14)	0.8167 (7)	0.101 (7)
H330	0.506434	0.221564	0.828236	0.121*
C313	0.8138 (7)	0.6710 (9)	0.6087 (6)	0.112 (9)
H313	0.809811	0.610610	0.615576	0.135*
C359	0.1283 (9)	0.4704 (16)	0.5872 (7)	0.108 (7)
H359	0.121228	0.493665	0.561012	0.130*
O3A	0.3909 (6)	0.0715 (12)	0.7678 (6)	0.080 (6)	0.5419
C311	0.8253 (6)	0.8480 (11)	0.5961 (6)	0.089 (6)
H311	0.829208	0.909985	0.592169	0.106*
C368	−0.0303 (9)	0.7598 (14)	0.6558 (9)	0.122 (9)
H368	−0.030502	0.799656	0.634272	0.146*
O1A	0.2912 (6)	0.2377 (14)	0.8070 (6)	0.079 (6)	0.5419
H1AA	0.292495	0.289162	0.797698	0.118*	0.5419
C358	0.1024 (11)	0.4872 (15)	0.6121 (7)	0.124 (9)
H358	0.080478	0.531035	0.604595	0.149*
C319	0.6848 (9)	0.1381 (17)	0.6393 (7)	0.128 (10)
H319	0.708404	0.178043	0.646987	0.154*
C7A	0.3239 (7)	0.0478 (11)	0.7262 (7)	0.062 (6)	0.5419
C8A	0.2910 (8)	−0.0087 (12)	0.7081 (8)	0.072 (7)	0.5419
C9A	0.2932 (12)	−0.0994 (16)	0.7164 (9)	0.096 (9)	0.5419
H9A	0.269865	−0.137344	0.704808	0.115*	0.5419
C10A	0.3292 (10)	−0.1346 (17)	0.7414 (9)	0.092 (9)	0.5419
H10A	0.330768	−0.196819	0.746910	0.110*	0.5419
C11A	0.3627 (9)	−0.0791 (12)	0.7584 (9)	0.080 (8)	0.5419
H11A	0.387871	−0.103421	0.775008	0.096*	0.5419
C12A	0.3599 (7)	0.0117 (11)	0.7515 (8)	0.071 (7)	0.5419
C369	−0.0014 (8)	0.6848 (15)	0.6618 (8)	0.113 (8)
H369	0.019364	0.678286	0.645549	0.136*
C320	0.6567 (9)	0.1258 (18)	0.6636 (8)	0.139 (11)
H320	0.660080	0.159954	0.687272	0.166*
C4A	0.3199 (8)	0.1458 (10)	0.7167 (5)	0.057 (6)	0.5419
C3A	0.3247 (7)	0.1712 (11)	0.6788 (5)	0.052 (6)	0.5419
H3A	0.328539	0.127280	0.660002	0.063*	0.5419
C2A	0.3238 (9)	0.2619 (12)	0.6688 (7)	0.071 (7)	0.5419
H2A	0.327432	0.280053	0.643245	0.086*	0.5419
C1A	0.3175 (8)	0.3251 (12)	0.6966 (7)	0.071 (8)	0.5419
H1A	0.316496	0.386612	0.689884	0.085*	0.5419
C6A	0.3126 (8)	0.2994 (12)	0.7343 (7)	0.078 (8)	0.5419
H6A	0.307782	0.343407	0.752718	0.093*	0.5419
C5A	0.3147 (9)	0.2092 (11)	0.7452 (6)	0.072 (7)	0.5419
C428	0.574 (3)	0.243 (2)	0.7653 (13)	0.102 (7)	0.24 (2)
H428	0.581898	0.268580	0.742328	0.122*	0.24 (2)
C429	0.573 (3)	0.297 (3)	0.7983 (12)	0.102 (7)	0.24 (2)
H429	0.579200	0.359045	0.797195	0.122*	0.24 (2)
C14A	0.2170 (11)	−0.025 (3)	0.6704 (11)	0.109 (13)	0.5419
H14A	0.194283	0.011996	0.654606	0.163*	0.5419
H14B	0.206574	−0.050473	0.692954	0.163*	0.5419
H14C	0.224360	−0.073742	0.653883	0.163*	0.5419
C13A	0.3116 (11)	0.1768 (16)	0.7858 (7)	0.087 (9)	0.5419
H13A	0.295309	0.119919	0.783055	0.104*	0.5419
H13B	0.341190	0.164536	0.801155	0.104*	0.5419
C15A	0.4302 (10)	0.039 (3)	0.7926 (14)	0.129 (16)	0.5419
H15A	0.450064	0.018790	0.775960	0.194*	0.5419
H15B	0.423490	−0.010768	0.808687	0.194*	0.5419
H15C	0.443929	0.087204	0.810032	0.194*	0.5419
I401	0.5860 (3)	0.9881 (5)	0.3626 (4)	0.175 (5)	0.433 (19)
Zn41	0.5518 (4)	0.8399 (8)	0.3720 (4)	0.122 (7)	0.433 (19)
I402	0.4845 (4)	0.8211 (11)	0.4004 (4)	0.187 (6)	0.433 (19)
I405	0.6011 (3)	0.4932 (5)	0.8675 (3)	0.101 (2)	0.383 (3)
Zn43	0.5665 (3)	0.3459 (6)	0.8787 (3)	0.074 (4)	0.383 (3)
I406	0.4929 (3)	0.3328 (7)	0.8981 (2)	0.113 (3)	0.383 (3)
I307	0.43841 (13)	−0.4665 (3)	0.62732 (19)	0.0872 (12)	0.5517
Zn34	0.41028 (18)	−0.3569 (4)	0.6721 (2)	0.062 (3)	0.5517
I308	0.38269 (12)	−0.3916 (4)	0.73382 (18)	0.0939 (17)	0.5517
I311	−0.0615 (3)	0.9831 (6)	0.6254 (4)	0.185 (3)	0.65 (2)
Zn36	−0.0979 (4)	0.8743 (6)	0.6642 (3)	0.128 (5)	0.65 (2)
I312	−0.1304 (4)	0.9025 (5)	0.7237 (2)	0.167 (3)	0.65 (2)
I410	0.2071 (3)	0.4829 (4)	0.5164 (3)	0.135 (3)	0.309 (5)
Zn45	0.2318 (4)	0.3928 (6)	0.5791 (3)	0.108 (4)	0.309 (5)
I409	0.3054 (2)	0.4165 (4)	0.6232 (3)	0.143 (3)	0.309 (5)
N319	0.1646 (8)	0.4210 (10)	0.5982 (6)	0.111 (7)
I303	0.70422 (18)	0.0204 (4)	0.5097 (2)	0.0723 (16)	0.5103
Zn32	0.7284 (3)	0.1145 (6)	0.5722 (3)	0.060 (3)	0.5103
I304	0.80210 (15)	0.0969 (4)	0.61607 (19)	0.0819 (15)	0.5103
I3	0.5682 (12)	0.485 (2)	0.8820 (11)	0.080*	0.037 (2)
I31	0.4712 (12)	0.321 (3)	0.9042 (14)	0.080*	0.037 (2)
Zn53	0.5377 (19)	0.328 (3)	0.8733 (17)	0.080*	0.037 (2)
I404	0.6814 (5)	0.0303 (9)	0.4994 (5)	0.190 (8)	0.2797
I403	0.7879 (6)	0.0673 (8)	0.6032 (7)	0.257 (11)	0.2797
Zn42	0.7131 (9)	0.1100 (17)	0.5636 (10)	0.155 (14)	0.2797
I4	0.4523 (9)	−0.4644 (19)	0.6043 (8)	0.080*	0.0533
I10	0.3983 (8)	−0.4224 (17)	0.7092 (7)	0.080*	0.0533
Zn54	0.4265 (19)	−0.376 (4)	0.6511 (17)	0.080*	0.0533
C328	0.6016 (9)	0.197 (2)	0.7846 (8)	0.102 (7)	0.76 (2)
H328	0.627753	0.190396	0.775225	0.122*	0.76 (2)
C329	0.5999 (9)	0.250 (2)	0.8175 (8)	0.102 (7)	0.76 (2)
H329	0.625769	0.279229	0.830707	0.122*	0.76 (2)
C464	0.0860 (10)	0.267 (3)	0.8148 (12)	0.066 (4)	0.270 (18)
H464	0.112265	0.257761	0.833527	0.079*	0.270 (18)
C465	0.0852 (10)	0.314 (3)	0.7798 (12)	0.066 (4)	0.270 (18)
H465	0.111350	0.321551	0.770508	0.079*	0.270 (18)
C4B	0.7342 (19)	0.234 (2)	0.7691 (15)	0.080*	0.1554
C3B	0.7210 (19)	0.157 (3)	0.7864 (15)	0.080*	0.1554
H3B	0.703975	0.162737	0.805980	0.096*	0.1554
C2B	0.733 (2)	0.074 (2)	0.775 (2)	0.080*	0.1554
H2B	0.723818	0.021579	0.786783	0.096*	0.1554
C1B	0.758 (3)	0.066 (2)	0.746 (2)	0.080*	0.1554
H1B	0.765859	0.008613	0.738500	0.096*	0.1554
C6B	0.771 (2)	0.142 (3)	0.7290 (18)	0.080*	0.1554
H6B	0.788057	0.136806	0.709415	0.096*	0.1554
C5B	0.7592 (19)	0.226 (2)	0.7404 (15)	0.080*	0.1554
C7B	0.7220 (15)	0.325 (3)	0.7809 (14)	0.080*	0.1554
C12B	0.7512 (15)	0.373 (3)	0.8088 (16)	0.080*	0.1554
C11B	0.7424 (17)	0.462 (3)	0.8166 (17)	0.080*	0.1554
H11B	0.762433	0.494669	0.835632	0.096*	0.1554
C10B	0.7043 (19)	0.501 (3)	0.797 (2)	0.080*	0.1554
H10B	0.698307	0.561788	0.801997	0.096*	0.1554
C9B	0.6751 (16)	0.453 (3)	0.7688 (18)	0.080*	0.1554
H9B	0.649028	0.480287	0.755150	0.096*	0.1554
C8B	0.6839 (13)	0.365 (3)	0.7610 (12)	0.080*	0.1554
O3B	0.7915 (15)	0.337 (4)	0.823 (2)	0.080*	0.1554
O1B	0.785 (2)	0.290 (4)	0.6861 (17)	0.080*	0.1554
H1BA	0.797102	0.334481	0.678264	0.120*	0.1554
C13B	0.773 (3)	0.310 (3)	0.723 (2)	0.080*	0.1554
H13C	0.748506	0.353155	0.717726	0.096*	0.1554
H13D	0.797471	0.337720	0.741124	0.096*	0.1554
C805	0.600 (2)	0.440 (3)	0.7243 (18)	0.080*	0.1984
H80A	0.579337	0.440266	0.742383	0.096*	0.1984
H80B	0.610461	0.378489	0.722583	0.096*	0.1984
C806	0.576 (2)	0.471 (3)	0.6829 (16)	0.080*	0.1984
H80C	0.595612	0.462679	0.663862	0.096*	0.1984
H80D	0.550242	0.433700	0.674005	0.096*	0.1984
C801	0.5629 (17)	0.569 (4)	0.6830 (18)	0.080*	0.1984
H80E	0.550748	0.588404	0.655379	0.096*	0.1984
H80F	0.539786	0.575717	0.698359	0.096*	0.1984
C802	0.601 (2)	0.631 (3)	0.7008 (18)	0.080*	0.1984
H80G	0.589817	0.691879	0.703063	0.096*	0.1984
H80H	0.621511	0.632800	0.682758	0.096*	0.1984
C803	0.625 (2)	0.599 (3)	0.7419 (16)	0.080*	0.1984
H80I	0.650807	0.636573	0.750829	0.096*	0.1984
H80J	0.605643	0.606648	0.761091	0.096*	0.1984
C804	0.6386 (17)	0.501 (4)	0.7415 (19)	0.080*	0.1984
H80K	0.651374	0.481739	0.768896	0.096*	0.1984
H80L	0.661031	0.494827	0.725415	0.096*	0.1984
C807	0.1894 (11)	0.745 (4)	0.6307 (15)	0.080*	0.2325
H80N	0.196052	0.804885	0.620987	0.096*	0.2325
H80M	0.216925	0.718584	0.645013	0.096*	0.2325
C808	0.1581 (15)	0.756 (4)	0.6593 (11)	0.080*	0.2325
H80O	0.153220	0.696878	0.670660	0.096*	0.2325
H80P	0.171142	0.795833	0.681419	0.096*	0.2325
C809	0.1145 (14)	0.795 (4)	0.6374 (15)	0.080*	0.2325
H80Q	0.119108	0.854607	0.626955	0.096*	0.2325
H80R	0.094566	0.800574	0.655967	0.096*	0.2325
C810	0.0945 (11)	0.732 (4)	0.6029 (14)	0.080*	0.2325
H81A	0.088779	0.673063	0.613576	0.096*	0.2325
H81B	0.066459	0.757153	0.588701	0.096*	0.2325
C811	0.1252 (15)	0.721 (4)	0.5738 (11)	0.080*	0.2325
H81C	0.112220	0.679651	0.552413	0.096*	0.2325
H81D	0.128941	0.779915	0.561552	0.096*	0.2325
C812	0.1697 (14)	0.686 (4)	0.5951 (15)	0.080*	0.2325
H81E	0.166478	0.624353	0.604434	0.096*	0.2325
H81F	0.189483	0.684226	0.576236	0.096*	0.2325
C14B	0.624 (3)	0.346 (7)	0.706 (2)	0.080*	0.1554
H14D	0.633204	0.368904	0.682818	0.120*	0.1554
H14E	0.611913	0.395440	0.719535	0.120*	0.1554
H14F	0.601703	0.300325	0.698575	0.120*	0.1554
C15B	0.822 (3)	0.385 (7)	0.853 (3)	0.080*	0.1554
H15D	0.847240	0.401086	0.842189	0.120*	0.1554
H15E	0.830724	0.346390	0.876109	0.120*	0.1554
H15F	0.807982	0.438668	0.860337	0.120*	0.1554
O2B	0.6603 (18)	0.309 (4)	0.7332 (16)	0.080*	0.1554

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I01	0.120 (8)	0.025 (4)	0.124 (7)	−0.003 (4)	−0.066 (6)	−0.010 (4)
I301	0.087 (3)	0.0318 (12)	0.074 (2)	0.0038 (9)	−0.0327 (13)	0.0056 (11)
I408	0.171 (8)	0.078 (4)	0.154 (7)	0.030 (5)	0.031 (6)	0.036 (4)
I302	0.077 (2)	0.105 (3)	0.074 (2)	0.0319 (17)	0.0154 (15)	0.0037 (17)
I412	0.068 (3)	0.060 (3)	0.078 (3)	0.0016 (18)	−0.012 (3)	−0.028 (2)
I407	0.222 (8)	0.036 (3)	0.163 (6)	0.006 (3)	−0.117 (6)	−0.007 (3)
I305	0.290 (9)	0.038 (2)	0.130 (6)	−0.017 (3)	−0.088 (5)	0.010 (3)
I08	0.148 (11)	0.040 (6)	0.156 (10)	0.000 (6)	−0.111 (9)	−0.007 (5)
I411	0.089 (3)	0.0161 (19)	0.089 (5)	−0.0036 (15)	−0.0329 (19)	0.0006 (17)
I306	0.178 (5)	0.244 (8)	0.084 (3)	0.153 (5)	−0.038 (3)	−0.007 (3)
I310	0.170 (2)	0.0491 (9)	0.0853 (13)	0.0476 (12)	0.0423 (14)	0.0353 (9)
I309	0.1048 (15)	0.0303 (8)	0.1488 (19)	−0.0147 (8)	0.0267 (13)	0.0048 (9)
Zn44	0.121 (12)	0.038 (9)	0.132 (12)	−0.003 (6)	−0.101 (8)	0.022 (7)
Zn31	0.077 (4)	0.041 (3)	0.062 (4)	0.012 (2)	0.009 (3)	−0.010 (2)
Zn33	0.142 (6)	0.051 (5)	0.075 (4)	0.041 (4)	−0.085 (4)	−0.015 (3)
Zn46	0.052 (5)	0.012 (4)	0.078 (7)	−0.001 (3)	−0.028 (5)	−0.010 (4)
Zn52	0.13 (2)	0.018 (9)	0.133 (17)	−0.010 (8)	−0.091 (13)	0.008 (8)
Zn35	0.104 (3)	0.0188 (12)	0.081 (2)	0.0069 (14)	0.0205 (19)	0.0093 (13)
N316	0.082 (8)	0.018 (5)	0.073 (7)	0.004 (5)	−0.015 (6)	0.008 (5)
N315	0.075 (7)	0.017 (4)	0.063 (6)	−0.002 (4)	−0.021 (6)	0.006 (4)
N310	0.068 (7)	0.042 (6)	0.063 (7)	0.004 (5)	−0.022 (6)	−0.004 (5)
N322	0.097 (9)	0.018 (5)	0.072 (8)	0.001 (5)	−0.023 (7)	0.005 (5)
N306	0.089 (9)	0.045 (7)	0.077 (8)	−0.006 (6)	−0.011 (7)	−0.009 (6)
N303	0.070 (7)	0.040 (6)	0.084 (9)	−0.002 (5)	−0.023 (7)	−0.027 (6)
N314	0.069 (7)	0.022 (5)	0.065 (7)	−0.003 (4)	−0.030 (6)	0.006 (4)
N321	0.107 (11)	0.051 (8)	0.062 (8)	−0.008 (7)	−0.006 (8)	−0.005 (6)
N312	0.067 (7)	0.035 (6)	0.087 (9)	0.000 (5)	−0.029 (7)	−0.002 (6)
N308	0.066 (7)	0.047 (7)	0.061 (7)	−0.008 (6)	−0.023 (6)	−0.004 (5)
N309	0.084 (9)	0.047 (7)	0.066 (8)	−0.014 (6)	−0.011 (7)	−0.013 (6)
N302	0.079 (8)	0.026 (5)	0.083 (8)	0.003 (5)	−0.033 (7)	−0.010 (5)
N313	0.073 (8)	0.024 (5)	0.115 (11)	−0.011 (5)	−0.047 (7)	0.017 (6)
N318	0.111 (11)	0.040 (7)	0.073 (8)	−0.004 (7)	0.007 (8)	0.010 (6)
N304	0.083 (8)	0.030 (6)	0.094 (9)	−0.006 (6)	−0.008 (7)	−0.018 (6)
N305	0.095 (9)	0.033 (6)	0.095 (10)	0.005 (6)	−0.048 (8)	−0.011 (6)
N317	0.107 (10)	0.038 (6)	0.062 (7)	−0.017 (6)	−0.040 (7)	0.018 (5)
C326	0.063 (8)	0.029 (6)	0.054 (7)	−0.005 (6)	−0.016 (6)	−0.009 (5)
C345	0.076 (9)	0.027 (6)	0.061 (8)	−0.007 (6)	−0.014 (7)	0.011 (6)
N323	0.095 (10)	0.054 (8)	0.076 (9)	0.013 (7)	0.002 (8)	0.020 (7)
N311	0.103 (10)	0.054 (8)	0.058 (7)	−0.003 (7)	−0.040 (8)	−0.007 (6)
N324	0.095 (10)	0.044 (7)	0.087 (10)	−0.007 (7)	−0.024 (8)	0.002 (7)
C325	0.075 (9)	0.039 (7)	0.053 (7)	−0.010 (6)	−0.007 (7)	−0.008 (6)
N320	0.114 (12)	0.040 (7)	0.093 (11)	−0.009 (7)	−0.005 (9)	−0.010 (7)
C344	0.075 (9)	0.028 (6)	0.063 (8)	−0.014 (6)	−0.017 (7)	−0.005 (6)
C361	0.083 (10)	0.028 (6)	0.059 (8)	−0.010 (6)	−0.014 (7)	−0.004 (6)
N301	0.091 (9)	0.041 (7)	0.099 (10)	0.003 (6)	−0.012 (8)	−0.014 (7)
C355	0.16 (2)	0.068 (13)	0.128 (19)	−0.001 (13)	0.068 (17)	0.012 (13)
C352	0.092 (10)	0.018 (6)	0.070 (9)	0.001 (6)	−0.001 (8)	0.011 (6)
C362	0.087 (11)	0.046 (8)	0.064 (9)	−0.011 (8)	−0.001 (8)	−0.006 (7)
C363	0.098 (11)	0.029 (7)	0.060 (8)	0.009 (7)	−0.004 (8)	0.000 (6)
C327	0.087 (11)	0.036 (7)	0.063 (9)	−0.002 (7)	−0.007 (8)	−0.008 (6)
C306	0.066 (9)	0.048 (8)	0.089 (11)	0.012 (7)	−0.014 (8)	−0.024 (8)
C339	0.068 (8)	0.023 (6)	0.090 (10)	−0.002 (6)	−0.018 (8)	0.018 (6)
C321	0.107 (13)	0.057 (10)	0.070 (10)	−0.016 (9)	−0.002 (9)	−0.010 (8)
C303	0.073 (9)	0.021 (6)	0.099 (11)	0.004 (6)	−0.017 (8)	−0.019 (7)
C308	0.085 (10)	0.026 (7)	0.092 (11)	0.006 (6)	0.001 (9)	−0.016 (7)
C334	0.063 (8)	0.061 (9)	0.060 (8)	−0.005 (7)	−0.021 (7)	−0.018 (7)
C338	0.067 (9)	0.046 (8)	0.088 (11)	−0.009 (7)	−0.034 (8)	0.008 (7)
C301	0.092 (11)	0.034 (7)	0.099 (12)	0.000 (7)	−0.020 (10)	−0.007 (8)
N307	0.135 (13)	0.052 (8)	0.076 (9)	−0.013 (8)	0.014 (9)	−0.002 (7)
C324	0.111 (13)	0.048 (8)	0.049 (8)	−0.010 (8)	−0.023 (8)	0.001 (6)
C316	0.085 (10)	0.033 (7)	0.077 (10)	0.001 (7)	−0.011 (8)	−0.011 (7)
C346	0.106 (12)	0.035 (7)	0.071 (9)	−0.017 (8)	−0.032 (9)	0.002 (7)
C343	0.063 (8)	0.028 (6)	0.077 (9)	−0.010 (6)	−0.012 (7)	0.007 (6)
C310	0.091 (11)	0.043 (8)	0.084 (11)	−0.007 (8)	−0.011 (9)	−0.003 (8)
C342	0.058 (7)	0.032 (6)	0.071 (9)	−0.006 (5)	−0.018 (7)	0.015 (6)
C335	0.077 (10)	0.053 (9)	0.069 (9)	−0.012 (7)	−0.009 (8)	0.001 (7)
C370	0.087 (11)	0.035 (7)	0.086 (12)	0.008 (7)	−0.021 (9)	0.016 (7)
C309	0.077 (10)	0.052 (9)	0.077 (10)	−0.008 (7)	−0.019 (8)	−0.030 (8)
C347	0.096 (12)	0.047 (9)	0.081 (11)	−0.007 (8)	−0.020 (9)	0.002 (8)
C354	0.136 (16)	0.030 (8)	0.091 (12)	0.006 (9)	0.018 (12)	0.008 (8)
C371	0.129 (16)	0.053 (10)	0.058 (9)	0.009 (10)	−0.030 (10)	0.008 (8)
C353	0.117 (14)	0.033 (7)	0.079 (10)	0.008 (8)	−0.007 (10)	−0.002 (7)
C307	0.081 (10)	0.031 (7)	0.097 (12)	0.004 (7)	−0.014 (9)	−0.013 (7)
C304	0.090 (11)	0.028 (7)	0.128 (15)	−0.010 (7)	−0.042 (11)	0.001 (8)
C331	0.094 (12)	0.037 (8)	0.084 (11)	0.002 (7)	−0.028 (10)	−0.027 (7)
C312	0.129 (15)	0.047 (9)	0.114 (14)	0.005 (10)	−0.091 (13)	−0.016 (9)
C367	0.094 (11)	0.059 (9)	0.054 (8)	0.009 (8)	−0.021 (8)	0.016 (7)
C337	0.085 (10)	0.031 (7)	0.104 (12)	−0.010 (7)	−0.033 (9)	0.002 (7)
C357	0.094 (12)	0.045 (9)	0.100 (13)	−0.002 (8)	−0.003 (11)	−0.010 (9)
O2A	0.127 (17)	0.072 (13)	0.052 (10)	−0.044 (12)	0.012 (11)	−0.007 (9)
C302	0.098 (12)	0.037 (8)	0.088 (11)	0.005 (8)	−0.028 (10)	−0.004 (7)
C314	0.090 (12)	0.042 (9)	0.129 (17)	−0.027 (8)	0.009 (12)	−0.035 (10)
C305	0.107 (13)	0.040 (8)	0.124 (15)	−0.001 (8)	−0.074 (12)	−0.032 (9)
C336	0.074 (10)	0.056 (9)	0.071 (10)	0.009 (7)	−0.014 (8)	0.020 (8)
C356	0.113 (16)	0.091 (15)	0.102 (15)	0.007 (12)	0.033 (13)	0.033 (12)
C350	0.126 (15)	0.037 (8)	0.090 (12)	−0.027 (9)	−0.021 (11)	−0.012 (8)
C372	0.097 (12)	0.048 (9)	0.075 (10)	0.009 (8)	−0.015 (9)	0.001 (8)
C318	0.124 (15)	0.049 (10)	0.094 (13)	−0.007 (10)	−0.012 (12)	0.000 (9)
C349	0.098 (12)	0.026 (7)	0.109 (13)	0.007 (7)	−0.045 (10)	−0.001 (7)
C340	0.100 (12)	0.037 (8)	0.111 (14)	−0.006 (8)	−0.044 (11)	0.007 (8)
C360	0.095 (12)	0.049 (9)	0.079 (11)	−0.012 (8)	0.004 (9)	−0.005 (8)
C348	0.108 (13)	0.023 (7)	0.113 (14)	0.002 (7)	−0.040 (11)	0.006 (8)
C323	0.149 (18)	0.063 (11)	0.088 (13)	−0.029 (12)	0.045 (13)	−0.037 (10)
C332	0.091 (12)	0.051 (10)	0.110 (15)	−0.020 (9)	0.004 (11)	−0.030 (10)
C341	0.108 (14)	0.034 (8)	0.156 (19)	−0.012 (8)	−0.067 (14)	0.030 (10)
C322	0.123 (15)	0.078 (12)	0.092 (13)	−0.053 (11)	0.027 (12)	−0.055 (11)
C333	0.088 (11)	0.064 (10)	0.084 (11)	−0.019 (9)	0.003 (9)	−0.030 (9)
C351	0.102 (13)	0.057 (10)	0.088 (12)	−0.016 (9)	−0.021 (10)	0.007 (9)
C317	0.110 (14)	0.036 (8)	0.109 (14)	−0.004 (8)	−0.017 (11)	−0.003 (8)
C366	0.108 (13)	0.051 (9)	0.083 (11)	0.016 (9)	−0.006 (10)	0.012 (8)
C365	0.080 (9)	0.041 (7)	0.068 (9)	0.004 (6)	−0.003 (7)	0.010 (6)
C364	0.080 (9)	0.041 (7)	0.068 (9)	0.004 (6)	−0.003 (7)	0.010 (6)
C315	0.115 (14)	0.040 (8)	0.094 (12)	0.001 (9)	−0.022 (11)	−0.005 (8)
C330	0.097 (13)	0.087 (14)	0.106 (15)	0.021 (11)	−0.008 (12)	−0.037 (12)
C313	0.139 (16)	0.021 (7)	0.127 (15)	−0.007 (8)	−0.087 (14)	0.013 (8)
C359	0.15 (2)	0.078 (14)	0.100 (16)	0.019 (14)	0.044 (15)	−0.001 (12)
O3A	0.099 (14)	0.045 (10)	0.095 (14)	0.024 (10)	0.016 (12)	0.008 (10)
C311	0.086 (11)	0.042 (8)	0.113 (14)	−0.002 (8)	−0.037 (10)	−0.001 (9)
C368	0.16 (2)	0.054 (12)	0.15 (2)	0.034 (13)	0.025 (19)	0.043 (13)
O1A	0.074 (12)	0.074 (14)	0.079 (13)	−0.016 (11)	−0.005 (10)	−0.035 (11)
C358	0.22 (3)	0.066 (13)	0.103 (16)	0.012 (15)	0.065 (19)	0.022 (12)
C319	0.17 (2)	0.115 (18)	0.115 (17)	−0.091 (18)	0.065 (17)	−0.055 (15)
C7A	0.089 (15)	0.025 (10)	0.071 (14)	0.005 (10)	0.016 (12)	0.000 (10)
C8A	0.127 (19)	0.028 (11)	0.061 (13)	−0.010 (12)	0.022 (13)	−0.016 (10)
C9A	0.16 (2)	0.056 (16)	0.078 (17)	−0.013 (17)	0.041 (18)	−0.015 (14)
C10A	0.16 (2)	0.041 (14)	0.087 (18)	0.015 (16)	0.052 (18)	−0.001 (13)
C11A	0.13 (2)	0.024 (11)	0.099 (18)	0.013 (13)	0.047 (17)	0.011 (12)
C12A	0.101 (17)	0.030 (11)	0.085 (15)	0.024 (11)	0.021 (14)	0.009 (11)
C369	0.129 (18)	0.083 (15)	0.13 (2)	0.002 (13)	0.044 (15)	0.042 (14)
C320	0.17 (2)	0.13 (2)	0.13 (2)	−0.097 (19)	0.050 (18)	−0.058 (17)
C4A	0.069 (13)	0.012 (9)	0.080 (14)	−0.001 (9)	−0.004 (11)	0.006 (9)
C3A	0.055 (12)	0.019 (9)	0.066 (13)	−0.015 (8)	−0.024 (10)	0.000 (9)
C2A	0.075 (15)	0.050 (14)	0.076 (16)	−0.010 (12)	−0.013 (13)	0.021 (12)
C1A	0.071 (14)	0.023 (11)	0.101 (18)	0.012 (10)	−0.022 (14)	0.023 (12)
C6A	0.063 (14)	0.036 (12)	0.12 (2)	0.001 (11)	−0.025 (15)	−0.015 (13)
C5A	0.073 (14)	0.040 (12)	0.097 (17)	−0.004 (11)	−0.001 (14)	−0.009 (12)
C428	0.099 (13)	0.107 (15)	0.087 (12)	−0.032 (11)	−0.010 (9)	−0.056 (11)
C429	0.099 (13)	0.107 (15)	0.087 (12)	−0.032 (11)	−0.010 (9)	−0.056 (11)
C14A	0.14 (3)	0.11 (3)	0.08 (2)	−0.07 (2)	0.03 (2)	−0.03 (2)
C13A	0.10 (2)	0.043 (15)	0.10 (2)	0.001 (14)	−0.003 (18)	−0.025 (15)
C15A	0.09 (2)	0.08 (3)	0.21 (4)	0.05 (2)	0.01 (3)	0.06 (3)
I401	0.295 (12)	0.049 (2)	0.117 (5)	0.004 (3)	−0.106 (5)	0.017 (3)
Zn41	0.146 (10)	0.048 (6)	0.123 (10)	−0.002 (5)	−0.085 (7)	−0.018 (5)
I402	0.206 (10)	0.199 (11)	0.129 (7)	0.079 (7)	−0.028 (6)	−0.035 (6)
I405	0.150 (5)	0.033 (2)	0.079 (3)	0.017 (2)	−0.069 (3)	0.0018 (19)
Zn43	0.110 (8)	0.047 (7)	0.070 (6)	0.015 (5)	0.028 (6)	−0.013 (5)
I406	0.111 (4)	0.147 (7)	0.095 (5)	0.040 (4)	0.052 (4)	0.010 (4)
I307	0.0821 (17)	0.0264 (16)	0.134 (3)	0.0046 (10)	−0.0211 (18)	−0.0262 (19)
Zn34	0.049 (4)	0.030 (5)	0.096 (7)	−0.005 (3)	−0.011 (4)	0.005 (4)
I308	0.0478 (10)	0.074 (2)	0.141 (3)	−0.0046 (11)	−0.0239 (14)	0.069 (2)
I311	0.152 (4)	0.059 (3)	0.307 (8)	−0.003 (2)	−0.037 (5)	0.057 (4)
Zn36	0.144 (8)	0.049 (5)	0.149 (9)	0.003 (5)	−0.070 (6)	−0.008 (5)
I312	0.163 (5)	0.106 (3)	0.175 (5)	0.025 (3)	−0.093 (4)	−0.069 (3)
I410	0.188 (8)	0.082 (3)	0.158 (7)	0.048 (4)	0.085 (6)	0.055 (4)
Zn45	0.141 (10)	0.056 (5)	0.133 (10)	0.004 (6)	0.045 (8)	0.013 (6)
I409	0.150 (6)	0.082 (4)	0.202 (8)	−0.015 (4)	0.046 (5)	−0.034 (4)
N319	0.20 (2)	0.035 (8)	0.106 (13)	−0.036 (11)	0.055 (14)	−0.015 (8)
I303	0.098 (3)	0.038 (2)	0.096 (3)	−0.021 (2)	0.056 (3)	−0.0193 (18)
Zn32	0.074 (5)	0.036 (5)	0.079 (5)	−0.012 (3)	0.036 (5)	−0.009 (4)
I304	0.087 (3)	0.043 (3)	0.114 (3)	0.001 (2)	0.015 (3)	0.021 (2)
I404	0.331 (18)	0.075 (6)	0.218 (16)	−0.086 (11)	0.185 (16)	−0.067 (8)
I403	0.30 (2)	0.100 (9)	0.44 (3)	0.071 (10)	0.24 (2)	0.057 (11)
Zn42	0.27 (3)	0.028 (6)	0.20 (3)	−0.023 (15)	0.13 (2)	−0.012 (11)
C328	0.099 (13)	0.107 (15)	0.087 (12)	−0.032 (11)	−0.010 (9)	−0.056 (11)
C329	0.099 (13)	0.107 (15)	0.087 (12)	−0.032 (11)	−0.010 (9)	−0.056 (11)
C464	0.080 (9)	0.041 (7)	0.068 (9)	0.004 (6)	−0.003 (7)	0.010 (6)
C465	0.080 (9)	0.041 (7)	0.068 (9)	0.004 (6)	−0.003 (7)	0.010 (6)

Geometric parameters (Å, º)

I01—Zn52	2.552 (16)	C318—C317	1.39 (2)
I301—Zn31	2.540 (7)	C349—H349	0.9500
I408—Zn44	2.536 (12)	C349—C348	1.36 (2)
I302—Zn31	2.531 (6)	C340—H340	0.9500
I412—Zn46	2.519 (10)	C340—C341	1.36 (2)
I407—Zn44	2.522 (12)	C348—H348	0.9500
I305—Zn33	2.530 (8)	C323—H323	0.9500
I08—Zn52	2.514 (14)	C323—C322	1.38 (3)
I411—Zn46	2.518 (9)	C332—H332	0.9500
I306—Zn33	2.520 (9)	C332—C333	1.38 (2)
I310—Zn35	2.512 (4)	C341—H341	0.9500
I309—Zn35	2.532 (5)	C322—H322	0.9500
Zn44—N312	2.106 (16)	C333—H333	0.9500
Zn44—N313	2.115 (14)	C351—H351	0.9500
Zn31—N323^i	2.070 (15)	C317—H317	0.9500
Zn31—N301	2.064 (15)	C366—H366	0.9500
Zn33—N317^ii	2.057 (12)	C365—H365	0.9500
Zn33—N311	2.058 (15)	C365—C364	1.38 (3)
Zn46—N305^iii	2.099 (17)	C364—H364	0.9500
Zn46—N324	2.119 (18)	C315—H315	0.9500
Zn52—N306	2.074 (19)	C330—H330	0.9500
Zn52—N307	2.09 (2)	C313—H313	0.9500
Zn35—N318	2.119 (13)	C359—H359	0.9500
Zn35—N319	2.00 (2)	C359—C358	1.33 (3)
N316—C344	1.348 (16)	C359—N319	1.35 (3)
N316—C343	1.317 (17)	O3A—C12A	1.358 (17)
N315—C343	1.354 (16)	O3A—C15A	1.438 (18)
N315—C342	1.331 (16)	C311—H311	0.9500
N310—C326	1.338 (18)	C368—H368	0.9500
N310—C325	1.343 (18)	C368—C369	1.44 (3)
N322—C361	1.316 (19)	O1A—H1AA	0.8400
N322—C362	1.33 (2)	O1A—C13A	1.406 (17)
N306—C314	1.29 (2)	C358—H358	0.9500
N306—C318	1.30 (2)	C319—H319	0.9500
N306—Zn32	2.073 (16)	C319—C320	1.35 (3)
N306—Zn42	2.12 (3)	C7A—C8A	1.382 (16)
N303—C306	1.310 (18)	C7A—C12A	1.391 (16)
N303—C307	1.30 (2)	C7A—C4A	1.505 (16)
N314—C344	1.326 (16)	C8A—C9A	1.388 (17)
N314—C342	1.350 (17)	C9A—H9A	0.9500
N321—C361	1.33 (2)	C9A—C10A	1.380 (18)
N321—C360	1.34 (2)	C10A—H10A	0.9500
N312—C336	1.31 (2)	C10A—C11A	1.378 (18)
N312—C332	1.35 (2)	C11A—H11A	0.9500
N312—Zn34	2.057 (13)	C11A—C12A	1.382 (16)
N312—Zn54	2.22 (6)	C369—H369	0.9500
N308—C326	1.304 (19)	C320—H320	0.9500
N308—C324	1.310 (19)	C4A—C3A	1.395 (15)
N309—C325	1.30 (2)	C4A—C5A	1.402 (14)
N309—C324	1.34 (2)	C3A—H3A	0.9500
N302—C306	1.33 (2)	C3A—C2A	1.402 (15)
N302—C308	1.344 (19)	C2A—H2A	0.9500
N313—C337	1.312 (19)	C2A—C1A	1.392 (16)
N313—C341	1.32 (2)	C1A—H1A	0.9500
N313—Zn34	2.094 (12)	C1A—C6A	1.391 (16)
N313—Zn54	2.44 (6)	C6A—H6A	0.9500
N318—C354	1.30 (2)	C6A—C5A	1.400 (15)
N318—C350	1.31 (2)	C5A—C13A	1.502 (18)
N318—Zn45	2.116 (16)	C428—H428	0.9500
N304—C308	1.359 (19)	C428—C429	1.40 (3)
N304—C307	1.369 (19)	C429—H429	0.9500
N305—C312	1.27 (2)	C14A—H14A	0.9800
N305—C311	1.34 (2)	C14A—H14B	0.9800
N305—Zn36^iv	2.093 (16)	C14A—H14C	0.9800
N317—C347	1.29 (2)	C13A—H13A	0.9900
N317—C348	1.34 (2)	C13A—H13B	0.9900
N317—Zn43^v	2.121 (15)	C15A—H15A	0.9800
C326—C334	1.50 (2)	C15A—H15B	0.9800
C345—C346	1.40 (2)	C15A—H15C	0.9800
C345—C343	1.472 (18)	I401—Zn41	2.519 (11)
C345—C349	1.370 (19)	Zn41—I402	2.529 (13)
N323—C366	1.31 (2)	I405—Zn43	2.527 (10)
N323—C365	1.35 (2)	Zn43—I406	2.550 (9)
N323—Zn41^vi	2.061 (18)	I307—Zn34	2.536 (6)
N323—C464	1.36 (3)	Zn34—I308	2.514 (7)
N311—C330	1.25 (2)	I311—Zn36	2.530 (9)
N311—C429	1.33 (3)	Zn36—I312	2.511 (10)
N311—Zn43	2.043 (16)	I410—Zn45	2.533 (12)
N311—Zn53	2.06 (2)	Zn45—I409	2.522 (13)
N311—C329	1.33 (3)	Zn45—N319	2.38 (3)
N324—C372	1.27 (2)	I303—Zn32	2.555 (12)
N324—C368	1.31 (3)	Zn32—I304	2.510 (10)
N324—Zn36	2.011 (17)	I3—Zn53	2.531 (18)
C325—C327	1.47 (2)	I31—Zn53	2.542 (18)
N320—C362	1.31 (2)	I404—Zn42	2.53 (3)
N320—C360	1.33 (2)	I403—Zn42	2.55 (4)
C344—C352	1.506 (17)	I4—Zn54	2.36 (7)
C361—C363	1.48 (2)	I10—Zn54	2.45 (6)
N301—C301	1.34 (2)	C328—H328	0.9500
N301—C305	1.33 (2)	C328—C329	1.40 (3)
N301—Zn41	2.039 (17)	C329—H329	0.9500
C355—H355	0.9500	C464—H464	0.9500
C355—C356	1.40 (3)	C464—C465	1.39 (3)
C355—N319	1.31 (3)	C465—H465	0.9500
C352—C353	1.38 (2)	C4B—C3B	1.3900
C352—C351	1.39 (2)	C4B—C5B	1.3900
C362—C370	1.49 (2)	C4B—C7B	1.50 (2)
C363—C367	1.36 (2)	C3B—H3B	0.9500
C363—C364	1.38 (2)	C3B—C2B	1.3900
C363—C465	1.40 (3)	C2B—H2B	0.9500
C327—C331	1.34 (3)	C2B—C1B	1.3900
C327—C428	1.38 (3)	C1B—H1B	0.9500
C327—C328	1.38 (3)	C1B—C6B	1.3900
C306—C303	1.49 (2)	C6B—H6B	0.9500
C339—C338	1.38 (2)	C6B—C5B	1.3900
C339—C342	1.468 (17)	C5B—C13B	1.505 (17)
C339—C340	1.35 (2)	C7B—C12B	1.3900
C321—C324	1.52 (3)	C7B—C8B	1.3900
C321—C322	1.38 (2)	C12B—C11B	1.3900
C321—C320	1.36 (3)	C12B—O3B	1.374 (17)
C303—C304	1.40 (2)	C11B—H11B	0.9500
C303—C302	1.40 (2)	C11B—C10B	1.3900
C308—C316	1.475 (19)	C10B—H10B	0.9500
C334—C335	1.32 (2)	C10B—C9B	1.3900
C334—C333	1.38 (2)	C9B—H9B	0.9500
C338—H338	0.9500	C9B—C8B	1.3900
C338—C337	1.39 (2)	C8B—O2B	1.37 (2)
C301—H301	0.9500	O3B—C15B	1.44 (2)
C301—C302	1.33 (2)	O1B—H1BA	0.8400
N307—C323	1.36 (2)	O1B—C13B	1.42 (2)
N307—C319	1.30 (2)	C13B—H13C	0.9900
N307—Zn32	2.103 (19)	C13B—H13D	0.9900
N307—Zn42	1.95 (4)	C805—H80A	0.9900
C316—C317	1.36 (2)	C805—H80B	0.9900
C316—C315	1.37 (2)	C805—C806	1.537 (13)
C346—H346	0.9500	C805—C804	1.536 (13)
C346—C347	1.36 (2)	C806—H80C	0.9900
C310—H310	0.9500	C806—H80D	0.9900
C310—C309	1.37 (2)	C806—C801	1.534 (13)
C310—C311	1.40 (2)	C801—H80E	0.9900
C335—H335	0.9500	C801—H80F	0.9900
C335—C336	1.39 (2)	C801—C802	1.534 (13)
C370—C371	1.36 (3)	C802—H80G	0.9900
C370—C369	1.34 (3)	C802—H80H	0.9900
C309—C307	1.46 (2)	C802—C803	1.535 (13)
C309—C313	1.41 (2)	C803—H80I	0.9900
C347—H347	0.9500	C803—H80J	0.9900
C354—H354	0.9500	C803—C804	1.534 (13)
C354—C353	1.36 (2)	C804—H80K	0.9900
C371—H371	0.9500	C804—H80L	0.9900
C371—C372	1.43 (2)	C807—H80N	0.9900
C353—H353	0.9500	C807—H80M	0.9900
C304—H304	0.9500	C807—C808	1.542 (13)
C304—C305	1.36 (2)	C807—C812	1.538 (13)
C331—H331	0.9500	C808—H80O	0.9900
C331—C330	1.43 (2)	C808—H80P	0.9900
C312—H312	0.9500	C808—C809	1.540 (13)
C312—C313	1.38 (2)	C809—H80Q	0.9900
C367—H367	0.9500	C809—H80R	0.9900
C367—C366	1.39 (2)	C809—C810	1.541 (13)
C337—H337	0.9500	C810—H81A	0.9900
C357—C356	1.34 (3)	C810—H81B	0.9900
C357—C360	1.48 (3)	C810—C811	1.540 (13)
C357—C358	1.34 (3)	C811—H81C	0.9900
O2A—C8A	1.369 (18)	C811—H81D	0.9900
O2A—C14A	1.438 (18)	C811—C812	1.538 (13)
C302—H302	0.9500	C812—H81E	0.9900
C314—H314	0.9500	C812—H81F	0.9900
C314—C315	1.42 (2)	C14B—H14D	0.9800
C305—H305	0.9500	C14B—H14E	0.9800
C336—H336	0.9500	C14B—H14F	0.9800
C356—H356	0.9500	C14B—O2B	1.43 (2)
C350—H350	0.9500	C15B—H15D	0.9800
C350—C351	1.37 (2)	C15B—H15E	0.9800
C372—H372	0.9500	C15B—H15F	0.9800
C318—H318	0.9500
I407—Zn44—I408	121.5 (5)	N323—C365—C364	121.9 (18)
N312—Zn44—I408	112.6 (7)	C364—C365—H365	119.1
N312—Zn44—I407	109.6 (7)	C363—C364—C365	119 (2)
N312—Zn44—N313	98.3 (6)	C363—C364—H364	120.4
N313—Zn44—I408	101.5 (7)	C365—C364—H364	120.4
N313—Zn44—I407	110.5 (6)	C316—C315—C314	119.9 (17)
I302—Zn31—I301	125.0 (3)	C316—C315—H315	120.1
N323^i—Zn31—I301	106.4 (5)	C314—C315—H315	120.1
N323^i—Zn31—I302	105.3 (5)	N311—C330—C331	122 (2)
N301—Zn31—I301	109.8 (5)	N311—C330—H330	118.8
N301—Zn31—I302	106.3 (6)	C331—C330—H330	118.8
N301—Zn31—N323^i	101.7 (6)	C309—C313—H313	122.4
I306—Zn33—I305	126.4 (4)	C312—C313—C309	115.2 (14)
N317^ii—Zn33—I305	110.3 (5)	C312—C313—H313	122.4
N317^ii—Zn33—I306	104.0 (6)	C358—C359—H359	119.3
N317^ii—Zn33—N311	103.2 (6)	C358—C359—N319	121 (2)
N311—Zn33—I305	105.0 (6)	N319—C359—H359	119.3
N311—Zn33—I306	105.7 (6)	C12A—O3A—C15A	119 (2)
I411—Zn46—I412	125.8 (5)	N305—C311—C310	122.6 (15)
N305^iii—Zn46—I412	103.6 (7)	N305—C311—H311	118.7
N305^iii—Zn46—I411	111.0 (7)	C310—C311—H311	118.7
N305^iii—Zn46—N324	95.6 (6)	N324—C368—H368	120.5
N324—Zn46—I412	110.2 (7)	N324—C368—C369	119 (2)
N324—Zn46—I411	106.5 (6)	C369—C368—H368	120.5
I08—Zn52—I01	123.0 (8)	C13A—O1A—H1AA	109.5
N306—Zn52—I01	108.9 (7)	C357—C358—H358	117.7
N306—Zn52—I08	110.1 (8)	C359—C358—C357	125 (3)
N306—Zn52—N307	100.8 (9)	C359—C358—H358	117.7
N307—Zn52—I01	102.3 (8)	N307—C319—H319	119.1
N307—Zn52—I08	109.3 (9)	N307—C319—C320	122 (2)
I310—Zn35—I309	120.86 (15)	C320—C319—H319	119.1
N318—Zn35—I310	111.3 (4)	C8A—C7A—C12A	119.0 (14)
N318—Zn35—I309	105.1 (4)	C8A—C7A—C4A	118.6 (16)
N319—Zn35—I310	110.6 (7)	C12A—C7A—C4A	122.4 (17)
N319—Zn35—I309	104.9 (6)	O2A—C8A—C7A	118.2 (17)
N319—Zn35—N318	102.3 (6)	O2A—C8A—C9A	121 (2)
C343—N316—C344	113.5 (11)	C7A—C8A—C9A	120 (2)
C342—N315—C343	114.4 (11)	C8A—C9A—H9A	119.9
C326—N310—C325	113.9 (14)	C10A—C9A—C8A	120 (3)
C361—N322—C362	114.3 (16)	C10A—C9A—H9A	119.9
C314—N306—Zn52	127.7 (11)	C9A—C10A—H10A	120.2
C314—N306—C318	117.5 (15)	C11A—C10A—C9A	120 (2)
C314—N306—Zn32	123.7 (11)	C11A—C10A—H10A	120.2
C314—N306—Zn42	110.7 (13)	C10A—C11A—H11A	119.8
C318—N306—Zn52	114.7 (13)	C10A—C11A—C12A	120.4 (19)
C318—N306—Zn32	118.8 (12)	C12A—C11A—H11A	119.8
C318—N306—Zn42	131.3 (15)	O3A—C12A—C7A	115.3 (16)
C307—N303—C306	116.4 (14)	O3A—C12A—C11A	124.4 (18)
C344—N314—C342	113.3 (10)	C11A—C12A—C7A	120.3 (15)
C361—N321—C360	114.3 (15)	C370—C369—C368	122 (2)
C336—N312—Zn44	122.1 (14)	C370—C369—H369	119.2
C336—N312—C332	120.1 (14)	C368—C369—H369	119.2
C336—N312—Zn34	123.1 (14)	C321—C320—H320	119.3
C336—N312—Zn54	149 (2)	C319—C320—C321	121 (2)
C332—N312—Zn44	117.8 (11)	C319—C320—H320	119.3
C332—N312—Zn34	116.8 (11)	C3A—C4A—C7A	116.8 (16)
C332—N312—Zn54	90.6 (18)	C3A—C4A—C5A	121.4 (12)
C326—N308—C324	115.3 (14)	C5A—C4A—C7A	121.7 (16)
C325—N309—C324	116.0 (14)	C4A—C3A—H3A	120.2
C306—N302—C308	113.0 (12)	C4A—C3A—C2A	119.7 (14)
C337—N313—Zn44	120.1 (10)	C2A—C3A—H3A	120.2
C337—N313—C341	118.6 (13)	C3A—C2A—H2A	120.4
C337—N313—Zn34	120.8 (10)	C1A—C2A—C3A	119.2 (14)
C337—N313—Zn54	106.9 (18)	C1A—C2A—H2A	120.4
C341—N313—Zn44	121.2 (11)	C2A—C1A—H1A	119.5
C341—N313—Zn34	120.6 (11)	C6A—C1A—C2A	120.9 (14)
C341—N313—Zn54	131.0 (18)	C6A—C1A—H1A	119.5
C354—N318—Zn35	117.8 (11)	C1A—C6A—H6A	119.7
C354—N318—C350	118.0 (14)	C1A—C6A—C5A	120.6 (14)
C354—N318—Zn45	141.6 (12)	C5A—C6A—H6A	119.7
C350—N318—Zn35	124.2 (11)	C4A—C5A—C13A	118.2 (15)
C350—N318—Zn45	99.3 (11)	C6A—C5A—C4A	118.1 (13)
C308—N304—C307	112.9 (13)	C6A—C5A—C13A	123.7 (16)
C312—N305—Zn46^iv	121.4 (10)	C327—C428—H428	120.2
C312—N305—C311	116.8 (13)	C327—C428—C429	120 (3)
C312—N305—Zn36^iv	120.9 (10)	C429—C428—H428	120.2
C311—N305—Zn46^iv	121.3 (10)	N311—C429—C428	121 (3)
C311—N305—Zn36^iv	122.2 (10)	N311—C429—H429	119.3
Zn33^v—N317—Zn43^v	2.3 (4)	C428—C429—H429	119.3
C347—N317—Zn33^v	122.2 (11)	O2A—C14A—H14A	109.5
C347—N317—C348	117.6 (13)	O2A—C14A—H14B	109.5
C347—N317—Zn43^v	124.0 (11)	O2A—C14A—H14C	109.5
C348—N317—Zn33^v	120.1 (11)	H14A—C14A—H14B	109.5
C348—N317—Zn43^v	118.1 (11)	H14A—C14A—H14C	109.5
N310—C326—C334	115.3 (14)	H14B—C14A—H14C	109.5
N308—C326—N310	125.7 (12)	O1A—C13A—C5A	113.5 (17)
N308—C326—C334	119.0 (12)	O1A—C13A—H13A	108.9
C346—C345—C343	121.3 (12)	O1A—C13A—H13B	108.9
C349—C345—C346	116.8 (13)	C5A—C13A—H13A	108.9
C349—C345—C343	121.9 (13)	C5A—C13A—H13B	108.9
C366—N323—Zn31^vi	123.4 (14)	H13A—C13A—H13B	107.7
C366—N323—C365	118.4 (16)	O3A—C15A—H15A	109.5
C366—N323—Zn41^vi	117.8 (14)	O3A—C15A—H15B	109.5
C366—N323—C464	107 (2)	O3A—C15A—H15C	109.5
C365—N323—Zn31^vi	117.9 (11)	H15A—C15A—H15B	109.5
C365—N323—Zn41^vi	123.5 (12)	H15A—C15A—H15C	109.5
C330—N311—Zn33	125.5 (16)	H15B—C15A—H15C	109.5
C330—N311—C429	100 (3)	N323^i—Zn41—I401	108.8 (7)
C330—N311—Zn43	122.8 (16)	N323^i—Zn41—I402	111.1 (7)
C330—N311—Zn53	97 (2)	N301—Zn41—N323^i	102.9 (8)
C330—N311—C329	118.4 (17)	N301—Zn41—I401	99.0 (6)
C429—N311—Zn33	117.1 (17)	N301—Zn41—I402	108.0 (8)
C329—N311—Zn43	118.5 (12)	I401—Zn41—I402	124.3 (6)
C372—N324—Zn46	122.3 (16)	N317^ii—Zn43—I405	105.4 (6)
C372—N324—C368	120.0 (18)	N317^ii—Zn43—I406	107.4 (6)
C372—N324—Zn36	126.7 (17)	N311—Zn43—N317^ii	101.5 (6)
C368—N324—Zn46	117.4 (13)	N311—Zn43—I405	110.8 (6)
C368—N324—Zn36	112.9 (13)	N311—Zn43—I406	106.1 (7)
N310—C325—C327	117.3 (15)	I405—Zn43—I406	123.5 (5)
N309—C325—N310	124.6 (13)	N312—Zn34—N313	100.6 (5)
N309—C325—C327	118.0 (13)	N312—Zn34—I307	106.3 (5)
C362—N320—C360	114.6 (16)	N312—Zn34—I308	108.4 (5)
N316—C344—C352	115.4 (12)	N313—Zn34—I307	105.5 (5)
N314—C344—N316	127.1 (12)	N313—Zn34—I308	105.7 (5)
N314—C344—C352	117.4 (11)	I308—Zn34—I307	127.3 (3)
N322—C361—N321	125.6 (14)	N305^iii—Zn36—I311	109.2 (6)
N322—C361—C363	118.9 (16)	N305^iii—Zn36—I312	103.7 (7)
N321—C361—C363	115.4 (14)	N324—Zn36—N305^iii	99.2 (6)
C301—N301—Zn31	121.0 (11)	N324—Zn36—I311	107.2 (7)
C301—N301—Zn41	125.5 (11)	N324—Zn36—I312	104.7 (7)
C305—N301—Zn31	121.9 (11)	I312—Zn36—I311	129.0 (5)
C305—N301—C301	116.9 (14)	N318—Zn45—I410	101.6 (6)
C305—N301—Zn41	117.0 (11)	N318—Zn45—I409	120.3 (6)
C356—C355—H355	118.5	N318—Zn45—N319	90.9 (7)
N319—C355—H355	118.5	I409—Zn45—I410	121.5 (4)
N319—C355—C356	123 (2)	N319—Zn45—I410	90.3 (6)
C353—C352—C344	121.2 (13)	N319—Zn45—I409	124.7 (7)
C353—C352—C351	117.0 (13)	C355—N319—Zn35	124 (2)
C351—C352—C344	121.6 (13)	C355—N319—C359	115 (2)
N322—C362—C370	117.9 (17)	C355—N319—Zn45	103.9 (18)
N320—C362—N322	126.1 (16)	C359—N319—Zn35	120.2 (16)
N320—C362—C370	115.9 (16)	C359—N319—Zn45	140.4 (16)
C367—C363—C361	120.8 (14)	N306—Zn32—N307	100.5 (7)
C367—C363—C364	115.9 (16)	N306—Zn32—I303	111.1 (6)
C367—C363—C465	107 (2)	N306—Zn32—I304	106.0 (5)
C364—C363—C361	122.6 (17)	N307—Zn32—I303	105.5 (6)
C465—C363—C361	121 (2)	N307—Zn32—I304	109.9 (6)
C331—C327—C325	121.5 (14)	I304—Zn32—I303	121.8 (4)
C331—C327—C428	99 (3)	N311—Zn53—I3	108.9 (16)
C331—C327—C328	117.0 (17)	N311—Zn53—I31	140 (2)
C428—C327—C325	123 (2)	I3—Zn53—I31	108.4 (16)
C328—C327—C325	120.7 (19)	N306—Zn42—I404	116.1 (15)
N303—C306—N302	126.6 (14)	N306—Zn42—I403	99.8 (11)
N303—C306—C303	117.5 (14)	N307—Zn42—N306	104.1 (14)
N302—C306—C303	115.9 (12)	N307—Zn42—I404	115.2 (12)
C338—C339—C342	120.2 (13)	N307—Zn42—I403	98.6 (14)
C340—C339—C338	117.8 (13)	I404—Zn42—I403	120.2 (13)
C340—C339—C342	122.0 (14)	N312—Zn54—N313	86 (2)
C322—C321—C324	120.0 (16)	N312—Zn54—I4	130 (3)
C320—C321—C324	123.4 (17)	N312—Zn54—I10	89 (2)
C320—C321—C322	117 (2)	N313—Zn54—I10	84 (2)
C304—C303—C306	123.1 (13)	I4—Zn54—N313	123 (2)
C304—C303—C302	114.4 (14)	I4—Zn54—I10	129 (3)
C302—C303—C306	122.5 (13)	C327—C328—H328	121.0
N302—C308—N304	126.0 (13)	C327—C328—C329	118 (2)
N302—C308—C316	119.1 (13)	C329—C328—H328	121.0
N304—C308—C316	114.7 (14)	N311—C329—C328	123 (2)
C335—C334—C326	123.4 (14)	N311—C329—H329	118.4
C335—C334—C333	115.7 (16)	C328—C329—H329	118.4
C333—C334—C326	120.9 (17)	N323—C464—H464	121.2
C339—C338—H338	120.1	N323—C464—C465	118 (3)
C339—C338—C337	119.8 (13)	C465—C464—H464	121.2
C337—C338—H338	120.1	C363—C465—H465	119.5
N301—C301—H301	118.7	C464—C465—C363	121 (3)
C302—C301—N301	122.6 (15)	C464—C465—H465	119.5
C302—C301—H301	118.7	C3B—C4B—C5B	120.0
C323—N307—Zn52	125.4 (13)	C3B—C4B—C7B	121.0 (15)
C323—N307—Zn32	121.8 (13)	C5B—C4B—C7B	119.0 (15)
C323—N307—Zn42	109.9 (15)	C4B—C3B—H3B	120.0
C319—N307—Zn52	114.4 (15)	C2B—C3B—C4B	120.0
C319—N307—C323	120.2 (19)	C2B—C3B—H3B	120.0
C319—N307—Zn32	118.0 (15)	C3B—C2B—H2B	120.0
C319—N307—Zn42	129.5 (17)	C1B—C2B—C3B	120.0
N308—C324—N309	124.5 (18)	C1B—C2B—H2B	120.0
N308—C324—C321	119.4 (15)	C2B—C1B—H1B	120.0
N309—C324—C321	116.0 (14)	C2B—C1B—C6B	120.0
C317—C316—C308	120.1 (14)	C6B—C1B—H1B	120.0
C317—C316—C315	115.5 (15)	C1B—C6B—H6B	120.0
C315—C316—C308	124.3 (15)	C5B—C6B—C1B	120.0
C345—C346—H346	121.2	C5B—C6B—H6B	120.0
C347—C346—C345	117.6 (15)	C4B—C5B—C13B	118.3 (19)
C347—C346—H346	121.2	C6B—C5B—C4B	120.0
N316—C343—N315	125.7 (12)	C6B—C5B—C13B	121.7 (19)
N316—C343—C345	117.8 (12)	C12B—C7B—C4B	119.5 (15)
N315—C343—C345	116.3 (12)	C12B—C7B—C8B	120.0
C309—C310—H310	121.0	C8B—C7B—C4B	120.1 (16)
C309—C310—C311	118.0 (15)	C7B—C12B—C11B	120.0
C311—C310—H310	121.0	O3B—C12B—C7B	118 (2)
N315—C342—N314	125.4 (11)	O3B—C12B—C11B	121 (2)
N315—C342—C339	117.7 (12)	C12B—C11B—H11B	120.0
N314—C342—C339	116.5 (11)	C10B—C11B—C12B	120.0
C334—C335—H335	118.6	C10B—C11B—H11B	120.0
C334—C335—C336	122.7 (16)	C11B—C10B—H10B	120.0
C336—C335—H335	118.6	C9B—C10B—C11B	120.0
C371—C370—C362	120.5 (16)	C9B—C10B—H10B	120.0
C369—C370—C362	122 (2)	C10B—C9B—H9B	120.0
C369—C370—C371	117.4 (18)	C8B—C9B—C10B	120.0
C310—C309—C307	121.0 (15)	C8B—C9B—H9B	120.0
C310—C309—C313	119.4 (13)	C9B—C8B—C7B	120.0
C313—C309—C307	119.5 (15)	O2B—C8B—C7B	112 (4)
N317—C347—C346	125.5 (16)	O2B—C8B—C9B	128 (4)
N317—C347—H347	117.3	C12B—O3B—C15B	119 (6)
C346—C347—H347	117.3	C13B—O1B—H1BA	109.5
N318—C354—H354	117.8	C5B—C13B—H13C	109.8
N318—C354—C353	124.3 (17)	C5B—C13B—H13D	109.8
C353—C354—H354	117.8	O1B—C13B—C5B	110 (3)
C370—C371—H371	121.1	O1B—C13B—H13C	109.7
C370—C371—C372	117.8 (17)	O1B—C13B—H13D	109.8
C372—C371—H371	121.1	H13C—C13B—H13D	108.2
C352—C353—H353	120.8	H80A—C805—H80B	107.9
C354—C353—C352	118.4 (16)	C806—C805—H80A	109.2
C354—C353—H353	120.8	C806—C805—H80B	109.2
N303—C307—N304	124.9 (14)	C804—C805—H80A	109.2
N303—C307—C309	120.2 (14)	C804—C805—H80B	109.2
N304—C307—C309	114.7 (14)	C804—C805—C806	112 (2)
C303—C304—H304	119.9	C805—C806—H80C	109.3
C305—C304—C303	120.3 (14)	C805—C806—H80D	109.3
C305—C304—H304	119.9	H80C—C806—H80D	108.0
C327—C331—H331	119.9	C801—C806—C805	112 (2)
C327—C331—C330	120.3 (17)	C801—C806—H80C	109.3
C330—C331—H331	119.9	C801—C806—H80D	109.3
N305—C312—H312	116.3	C806—C801—H80E	109.1
N305—C312—C313	127.5 (14)	C806—C801—H80F	109.1
C313—C312—H312	116.3	H80E—C801—H80F	107.8
C363—C367—H367	119.1	C802—C801—C806	112 (2)
C363—C367—C366	121.8 (16)	C802—C801—H80E	109.1
C366—C367—H367	119.1	C802—C801—H80F	109.1
N313—C337—C338	121.0 (14)	C801—C802—H80G	109.1
N313—C337—H337	119.5	C801—C802—H80H	109.1
C338—C337—H337	119.5	C801—C802—C803	112 (2)
C356—C357—C360	119.7 (19)	H80G—C802—H80H	107.9
C358—C357—C356	114 (2)	C803—C802—H80G	109.1
C358—C357—C360	126 (2)	C803—C802—H80H	109.1
C8A—O2A—C14A	121 (3)	C802—C803—H80I	109.2
C303—C302—H302	118.9	C802—C803—H80J	109.2
C301—C302—C303	122.3 (15)	H80I—C803—H80J	107.9
C301—C302—H302	118.9	C804—C803—C802	112 (2)
N306—C314—H314	118.6	C804—C803—H80I	109.2
N306—C314—C315	122.7 (15)	C804—C803—H80J	109.2
C315—C314—H314	118.6	C805—C804—H80K	109.3
N301—C305—C304	123.5 (14)	C805—C804—H80L	109.3
N301—C305—H305	118.2	C803—C804—C805	112 (2)
C304—C305—H305	118.2	C803—C804—H80K	109.3
N312—C336—C335	120.2 (17)	C803—C804—H80L	109.3
N312—C336—H336	119.9	H80K—C804—H80L	108.0
C335—C336—H336	119.9	H80N—C807—H80M	108.0
C355—C356—H356	119.7	C808—C807—H80N	109.4
C357—C356—C355	121 (2)	C808—C807—H80M	109.4
C357—C356—H356	119.7	C812—C807—H80N	109.4
N318—C350—H350	118.6	C812—C807—H80M	109.4
N318—C350—C351	122.7 (15)	C812—C807—C808	111 (2)
C351—C350—H350	118.6	C807—C808—H80O	109.6
N324—C372—C371	124 (2)	C807—C808—H80P	109.6
N324—C372—H372	118.1	H80O—C808—H80P	108.1
C371—C372—H372	118.1	C809—C808—C807	110.4 (19)
N306—C318—H318	118.4	C809—C808—H80O	109.6
N306—C318—C317	123.1 (18)	C809—C808—H80P	109.6
C317—C318—H318	118.4	C808—C809—H80Q	109.8
C345—C349—H349	119.6	C808—C809—H80R	109.8
C348—C349—C345	120.9 (14)	C808—C809—C810	109.4 (19)
C348—C349—H349	119.6	H80Q—C809—H80R	108.3
C339—C340—H340	120.3	C810—C809—H80Q	109.8
C339—C340—C341	119.3 (17)	C810—C809—H80R	109.8
C341—C340—H340	120.3	C809—C810—H81A	109.5
N321—C360—C357	117.5 (17)	C809—C810—H81B	109.5
N320—C360—N321	125.1 (19)	H81A—C810—H81B	108.1
N320—C360—C357	117.4 (17)	C811—C810—C809	111 (2)
N317—C348—C349	121.6 (14)	C811—C810—H81A	109.5
N317—C348—H348	119.2	C811—C810—H81B	109.5
C349—C348—H348	119.2	C810—C811—H81C	109.4
N307—C323—H323	120.6	C810—C811—H81D	109.4
N307—C323—C322	118.8 (16)	H81C—C811—H81D	108.0
C322—C323—H323	120.6	C812—C811—C810	111.2 (19)
N312—C332—H332	120.7	C812—C811—H81C	109.4
N312—C332—C333	118.6 (17)	C812—C811—H81D	109.4
C333—C332—H332	120.7	C807—C812—C811	111.0 (19)
N313—C341—C340	123.5 (16)	C807—C812—H81E	109.4
N313—C341—H341	118.3	C807—C812—H81F	109.4
C340—C341—H341	118.3	C811—C812—H81E	109.4
C321—C322—C323	120.7 (16)	C811—C812—H81F	109.4
C321—C322—H322	119.7	H81E—C812—H81F	108.0
C323—C322—H322	119.7	H14D—C14B—H14E	109.5
C334—C333—C332	122.3 (19)	H14D—C14B—H14F	109.5
C334—C333—H333	118.9	H14E—C14B—H14F	109.5
C332—C333—H333	118.9	O2B—C14B—H14D	109.5
C352—C351—H351	120.3	O2B—C14B—H14E	109.5
C350—C351—C352	119.5 (16)	O2B—C14B—H14F	109.5
C350—C351—H351	120.3	O3B—C15B—H15D	109.5
C316—C317—C318	121.1 (17)	O3B—C15B—H15E	109.5
C316—C317—H317	119.5	O3B—C15B—H15F	109.5
C318—C317—H317	119.5	H15D—C15B—H15E	109.5
N323—C366—C367	120 (2)	H15D—C15B—H15F	109.5
N323—C366—H366	119.9	H15E—C15B—H15F	109.5
C367—C366—H366	119.9	C8B—O2B—C14B	117 (3)
N323—C365—H365	119.1
Zn44—N312—C336—C335	−172.3 (11)	C356—C355—N319—Zn45	165 (2)
Zn44—N312—C332—C333	172.5 (14)	C356—C357—C360—N321	−26 (2)
Zn44—N313—C337—C338	173.1 (15)	C356—C357—C360—N320	156.9 (18)
Zn44—N313—C341—C340	−172 (2)	C356—C357—C358—C359	10 (4)
Zn31^vi—N323—C366—C367	174.5 (13)	C350—N318—C354—C353	3 (3)
Zn31^vi—N323—C365—C364	−175.0 (16)	C372—N324—C368—C369	−1 (3)
Zn31—N301—C301—C302	174.3 (17)	C318—N306—C314—C315	3 (3)
Zn31—N301—C305—C304	−175.3 (19)	C349—C345—C346—C347	−1 (3)
Zn33^v—N317—C347—C346	−178.2 (16)	C349—C345—C343—N316	−9 (3)
Zn33^v—N317—C348—C349	176.5 (17)	C349—C345—C343—N315	175.2 (17)
Zn33—N311—C330—C331	−178.8 (14)	C340—C339—C338—C337	−1 (3)
Zn33—N311—C429—C428	174 (6)	C340—C339—C342—N315	178.0 (18)
Zn46^iv—N305—C312—C313	165 (2)	C340—C339—C342—N314	5 (3)
Zn46^iv—N305—C311—C310	−169.6 (16)	C360—N321—C361—N322	1 (2)
Zn46—N324—C372—C371	173.6 (13)	C360—N321—C361—C363	−178.6 (13)
Zn46—N324—C368—C369	−174.9 (19)	C360—N320—C362—N322	−1 (2)
Zn52—N306—C314—C315	−177.6 (17)	C360—N320—C362—C370	175.7 (14)
Zn52—N306—C318—C317	177.7 (19)	C360—C357—C356—C355	179.8 (19)
Zn52—N307—C323—C322	168.0 (17)	C360—C357—C358—C359	−178 (2)
Zn52—N307—C319—C320	−174 (3)	C348—N317—C347—C346	−2 (3)
Zn35—N318—C354—C353	−176.8 (17)	C323—N307—C319—C320	3 (4)
Zn35—N318—C350—C351	178.3 (17)	C332—N312—C336—C335	7 (2)
N316—C344—C352—C353	−13 (3)	C341—N313—C337—C338	−2 (3)
N316—C344—C352—C351	171.3 (17)	C322—C321—C324—N308	14 (3)
N310—C326—C334—C335	−10 (2)	C322—C321—C324—N309	−163.3 (18)
N310—C326—C334—C333	170.7 (14)	C322—C321—C320—C319	−4 (4)
N310—C325—C327—C331	−20 (2)	C333—C334—C335—C336	−4 (2)
N310—C325—C327—C428	−149 (4)	C351—C352—C353—C354	2 (3)
N310—C325—C327—C328	150 (2)	C317—C316—C315—C314	1 (3)
N322—C361—C363—C367	0 (2)	C366—N323—C365—C364	12 (3)
N322—C361—C363—C364	169.9 (16)	C366—N323—C464—C465	−49 (5)
N322—C361—C363—C465	−140 (3)	C365—N323—C366—C367	−12 (3)
N322—C362—C370—C371	3 (2)	C364—C363—C367—C366	13 (2)
N322—C362—C370—C369	−179.1 (18)	C315—C316—C317—C318	−1 (3)
N306—C314—C315—C316	−3 (3)	C330—N311—C429—C428	−47 (8)
N306—C318—C317—C316	2 (4)	C330—N311—C329—C328	8 (4)
N303—C306—C303—C304	−178.9 (19)	C313—C309—C307—N303	−177 (2)
N303—C306—C303—C302	3 (3)	C313—C309—C307—N304	−2 (3)
N314—C344—C352—C353	165.2 (17)	C311—N305—C312—C313	−6 (4)
N314—C344—C352—C351	−11 (3)	C311—C310—C309—C307	178.6 (19)
N321—C361—C363—C367	179.7 (14)	C311—C310—C309—C313	3 (3)
N321—C361—C363—C364	−10 (2)	C368—N324—C372—C371	0 (3)
N321—C361—C363—C465	39 (3)	C358—C357—C356—C355	−8 (3)
N312—C332—C333—C334	1 (3)	C358—C357—C360—N321	163 (2)
N308—C326—C334—C335	167.6 (14)	C358—C357—C360—N320	−14 (3)
N308—C326—C334—C333	−12 (2)	C358—C359—N319—Zn35	−176.1 (19)
N309—C325—C327—C331	162.0 (15)	C358—C359—N319—C355	9 (3)
N309—C325—C327—C428	33 (5)	C358—C359—N319—Zn45	−160.3 (19)
N309—C325—C327—C328	−28 (3)	C319—N307—C323—C322	−8 (3)
N302—C306—C303—C304	1 (3)	C7A—C8A—C9A—C10A	−3 (5)
N302—C306—C303—C302	−177.5 (18)	C7A—C4A—C3A—C2A	−177 (2)
N302—C308—C316—C317	−174.6 (19)	C7A—C4A—C5A—C6A	178 (2)
N302—C308—C316—C315	7 (3)	C7A—C4A—C5A—C13A	−2 (4)
N318—C354—C353—C352	−3 (3)	C8A—C7A—C12A—O3A	179 (3)
N318—C350—C351—C352	0 (4)	C8A—C7A—C12A—C11A	0 (5)
N304—C308—C316—C317	11 (3)	C8A—C7A—C4A—C3A	−71 (3)
N304—C308—C316—C315	−167.4 (19)	C8A—C7A—C4A—C5A	113 (3)
N305—C312—C313—C309	9 (4)	C8A—C9A—C10A—C11A	1 (5)
C326—N310—C325—N309	2 (2)	C9A—C10A—C11A—C12A	2 (5)
C326—N310—C325—C327	−175.5 (12)	C10A—C11A—C12A—O3A	178 (3)
C326—N308—C324—N309	−1 (2)	C10A—C11A—C12A—C7A	−2 (5)
C326—N308—C324—C321	−177.3 (13)	C12A—C7A—C8A—O2A	177 (3)
C326—C334—C335—C336	176.5 (13)	C12A—C7A—C8A—C9A	3 (5)
C326—C334—C333—C332	−176.6 (16)	C12A—C7A—C4A—C3A	107 (3)
C345—C346—C347—N317	2 (3)	C12A—C7A—C4A—C5A	−69 (4)
C345—C349—C348—N317	1 (3)	C369—C370—C371—C372	7 (3)
N323—C365—C364—C363	2 (3)	C320—C321—C324—N308	−168 (2)
N323—C464—C465—C363	19 (8)	C320—C321—C324—N309	15 (3)
N324—C368—C369—C370	6 (4)	C320—C321—C322—C323	−2 (4)
C325—N310—C326—N308	−2.6 (19)	C4A—C7A—C8A—O2A	−5 (4)
C325—N310—C326—C334	174.5 (11)	C4A—C7A—C8A—C9A	−179 (3)
C325—N309—C324—N308	0 (2)	C4A—C7A—C12A—O3A	2 (4)
C325—N309—C324—C321	177.1 (14)	C4A—C7A—C12A—C11A	−178 (3)
C325—C327—C331—C330	178.1 (16)	C4A—C3A—C2A—C1A	−1 (4)
C325—C327—C428—C429	180 (5)	C4A—C5A—C13A—O1A	−158 (2)
C325—C327—C328—C329	−177 (2)	C3A—C4A—C5A—C6A	3 (4)
N320—C362—C370—C371	−174.4 (16)	C3A—C4A—C5A—C13A	−178 (2)
N320—C362—C370—C369	4 (3)	C3A—C2A—C1A—C6A	1 (4)
C344—N316—C343—N315	−3 (2)	C2A—C1A—C6A—C5A	1 (4)
C344—N316—C343—C345	−178.4 (14)	C1A—C6A—C5A—C4A	−3 (4)
C344—N314—C342—N315	2 (2)	C1A—C6A—C5A—C13A	177 (3)
C344—N314—C342—C339	174.5 (15)	C6A—C5A—C13A—O1A	22 (4)
C344—C352—C353—C354	−174.1 (18)	C5A—C4A—C3A—C2A	−1 (4)
C344—C352—C351—C350	175.5 (19)	C428—C327—C331—C330	−43 (3)
C361—N322—C362—N320	3 (2)	C429—N311—C330—C331	47 (4)
C361—N322—C362—C370	−174.4 (13)	C14A—O2A—C8A—C7A	−170 (3)
C361—N321—C360—N320	0 (2)	C14A—O2A—C8A—C9A	4 (4)
C361—N321—C360—C357	−176.1 (13)	C15A—O3A—C12A—C7A	−177 (3)
C361—C363—C367—C366	−176.2 (15)	C15A—O3A—C12A—C11A	3 (5)
C361—C363—C364—C365	175.6 (17)	Zn41^vi—N323—C366—C367	173.2 (13)
C361—C363—C465—C464	166 (4)	Zn41^vi—N323—C464—C465	177 (4)
N301—C301—C302—C303	−1 (3)	Zn41—N301—C301—C302	170.1 (17)
C362—N322—C361—N321	−2 (2)	Zn41—N301—C305—C304	−172 (2)
C362—N322—C361—C363	177.3 (12)	Zn43^v—N317—C347—C346	−176.6 (16)
C362—N320—C360—N321	0 (2)	Zn43^v—N317—C348—C349	175.2 (17)
C362—N320—C360—C357	176.3 (14)	Zn43—N311—C330—C331	−179.8 (14)
C362—C370—C371—C372	−174.9 (14)	Zn43—N311—C329—C328	−178 (3)
C362—C370—C369—C368	174 (2)	Zn34—N312—C336—C335	−171.5 (11)
C363—C367—C366—N323	0 (3)	Zn34—N312—C332—C333	171.7 (14)
C327—C331—C330—N311	−2 (3)	Zn34—N313—C337—C338	174.9 (15)
C327—C428—C429—N311	2 (11)	Zn34—N313—C341—C340	−173.8 (19)
C327—C328—C329—N311	−1 (5)	Zn36^iv—N305—C312—C313	171 (2)
C306—N303—C307—N304	4 (3)	Zn36^iv—N305—C311—C310	−175.7 (16)
C306—N303—C307—C309	178.4 (17)	Zn36—N324—C372—C371	173.0 (13)
C306—N302—C308—N304	1 (3)	Zn36—N324—C368—C369	−174.9 (19)
C306—N302—C308—C316	−173.0 (17)	Zn45—N318—C354—C353	168.3 (17)
C306—C303—C304—C305	179 (2)	Zn45—N318—C350—C351	−172 (2)
C306—C303—C302—C301	−179.6 (19)	N319—C355—C356—C357	8 (4)
C339—C338—C337—N313	1 (3)	N319—C359—C358—C357	−11 (4)
C339—C340—C341—N313	−3 (4)	Zn32—N306—C314—C315	−177.2 (16)
C303—C304—C305—N301	3 (4)	Zn32—N306—C318—C317	177.3 (18)
C308—N302—C306—N303	4 (3)	Zn32—N307—C323—C322	170.0 (17)
C308—N302—C306—C303	−175.8 (16)	Zn32—N307—C319—C320	−176 (3)
C308—N304—C307—N303	0 (3)	Zn53—N311—C330—C331	177 (3)
C308—N304—C307—C309	−174.9 (16)	Zn42—N306—C314—C315	176.3 (19)
C308—C316—C317—C318	−180 (2)	Zn42—N306—C318—C317	−174 (2)
C308—C316—C315—C314	179.8 (19)	Zn42—N307—C323—C322	178 (2)
C334—C335—C336—N312	−1 (2)	Zn42—N307—C319—C320	174 (3)
C338—C339—C342—N315	−3 (2)	Zn54—N312—C336—C335	177 (3)
C338—C339—C342—N314	−176.5 (16)	Zn54—N312—C332—C333	178 (2)
C338—C339—C340—C341	2 (3)	Zn54—N313—C337—C338	−163 (2)
C301—N301—C305—C304	−1 (4)	Zn54—N313—C341—C340	159 (3)
N307—C323—C322—C321	8 (4)	C328—C327—C331—C330	8 (3)
N307—C319—C320—C321	4 (5)	C329—N311—C330—C331	−7 (3)
C324—N308—C326—N310	2 (2)	C464—N323—C366—C367	41 (3)
C324—N308—C326—C334	−175.1 (12)	C465—C363—C367—C366	−31 (3)
C324—N309—C325—N310	−1 (2)	C4B—C3B—C2B—C1B	0.0
C324—N309—C325—C327	176.5 (13)	C4B—C5B—C13B—O1B	−161 (6)
C324—C321—C322—C323	177 (2)	C4B—C7B—C12B—C11B	173 (4)
C324—C321—C320—C319	177 (3)	C4B—C7B—C12B—O3B	3 (6)
C346—C345—C343—N316	171.4 (16)	C4B—C7B—C8B—C9B	−173 (4)
C346—C345—C343—N315	−4 (2)	C4B—C7B—C8B—O2B	4 (4)
C346—C345—C349—C348	−1 (3)	C3B—C4B—C5B—C6B	0.0
C343—N316—C344—N314	−3 (3)	C3B—C4B—C5B—C13B	−180 (3)
C343—N316—C344—C352	174.7 (15)	C3B—C4B—C7B—C12B	97 (4)
C343—N315—C342—N314	−7 (2)	C3B—C4B—C7B—C8B	−90 (4)
C343—N315—C342—C339	−179.6 (14)	C3B—C2B—C1B—C6B	0.0
C343—C345—C346—C347	178.9 (17)	C2B—C1B—C6B—C5B	0.0
C343—C345—C349—C348	179.6 (19)	C1B—C6B—C5B—C4B	0.0
C310—C309—C307—N303	8 (3)	C1B—C6B—C5B—C13B	180 (3)
C310—C309—C307—N304	−177.0 (18)	C6B—C5B—C13B—O1B	19 (7)
C310—C309—C313—C312	−7 (3)	C5B—C4B—C3B—C2B	0.0
C342—N315—C343—N316	8 (2)	C5B—C4B—C7B—C12B	−83 (4)
C342—N315—C343—C345	−177.0 (14)	C5B—C4B—C7B—C8B	90 (4)
C342—N314—C344—N316	4 (2)	C7B—C4B—C3B—C2B	−180 (4)
C342—N314—C344—C352	−173.9 (14)	C7B—C4B—C5B—C6B	180 (4)
C342—C339—C338—C337	−180.0 (17)	C7B—C4B—C5B—C13B	0 (4)
C342—C339—C340—C341	−179 (2)	C7B—C12B—C11B—C10B	0.0
C335—C334—C333—C332	4 (3)	C7B—C12B—O3B—C15B	−178 (7)
C370—C371—C372—N324	−3 (3)	C7B—C8B—O2B—C14B	−171 (7)
C309—C310—C311—N305	−1 (3)	C12B—C7B—C8B—C9B	0.0
C347—N317—C348—C349	1 (3)	C12B—C7B—C8B—O2B	177 (3)
C354—N318—C350—C351	−1 (3)	C12B—C11B—C10B—C9B	0.0
C371—C370—C369—C368	−8 (3)	C11B—C12B—O3B—C15B	13 (10)
C353—C352—C351—C350	−1 (3)	C11B—C10B—C9B—C8B	0.0
C307—N303—C306—N302	−6 (3)	C10B—C9B—C8B—C7B	0.0
C307—N303—C306—C303	173.6 (17)	C10B—C9B—C8B—O2B	−176 (3)
C307—N304—C308—N302	−2 (3)	C9B—C8B—O2B—C14B	6 (8)
C307—N304—C308—C316	171.6 (16)	C8B—C7B—C12B—C11B	0.0
C307—C309—C313—C312	178 (2)	C8B—C7B—C12B—O3B	−169 (7)
C304—C303—C302—C301	2 (3)	O3B—C12B—C11B—C10B	169 (7)
C331—C327—C428—C429	42 (7)	C805—C806—C801—C802	53 (5)
C331—C327—C328—C329	−7 (4)	C806—C805—C804—C803	55 (5)
C312—N305—C311—C310	2 (3)	C806—C801—C802—C803	−52 (5)
C367—C363—C364—C365	−14 (3)	C801—C802—C803—C804	53 (5)
C367—C363—C465—C464	22 (6)	C802—C803—C804—C805	−54 (5)
C337—N313—C341—C340	3 (4)	C804—C805—C806—C801	−54 (5)
O2A—C8A—C9A—C10A	−177 (3)	C807—C808—C809—C810	59 (4)
C302—C303—C304—C305	−3 (3)	C808—C807—C812—C811	55 (5)
C314—N306—C318—C317	−3 (3)	C808—C809—C810—C811	−59 (4)
C305—N301—C301—C302	0 (3)	C809—C810—C811—C812	57 (4)
C336—N312—C332—C333	−7 (3)	C810—C811—C812—C807	−55 (5)
C356—C355—N319—Zn35	178.0 (17)	C812—C807—C808—C809	−57 (5)
C356—C355—N319—C359	−8 (3)

Symmetry codes: (i) x+1/2, −y+1, z−1/2; (ii) x+1/2, −y, z+1/2; (iii) x−1, y, z; (iv) x+1, y, z; (v) x−1/2, −y, z−1/2; (vi) x−1/2, −y+1, z+1/2.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (50_1_96a)

Crystal data

C71.959H48I12N24Zn6·0.666(C15H16O3)·0.408(C6H12)	F(000) = 6280
Mr = 3360.86	Dx = 1.393 Mg m^−3
Monoclinic, P2/n	Cu Kα radiation, λ = 1.54184 Å
a = 31.6699 (9) Å	Cell parameters from 13434 reflections
b = 14.9780 (2) Å	θ = 3.2–73.0°
c = 34.5752 (9) Å	µ = 19.43 mm^−1
β = 102.239 (2)°	T = 100 K
V = 16028.0 (7) Å^3	Block, light yellow
Z = 4	0.15 × 0.12 × 0.06 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	29170 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	19768 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.049
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 1.7°
profile data from ω–scans	h = −38→37
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −17→12
Tmin = 0.178, Tmax = 0.406	l = −41→40
101230 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.091	H-atom parameters constrained
wR(F^2) = 0.294	w = 1/[σ^2(Fo^2) + (0.1472P)^2 + 76.6313P] where P = (Fo^2 + 2Fc^2)/3
S = 1.07	(Δ/σ)max = 0.001
29170 reflections	Δρmax = 1.41 e Å^−3
1521 parameters	Δρmin = −1.11 e Å^−3
606 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). Exchange site B was located over a two-fold symmetry axis and was modelled in PART -1. It was also modelled isotropic to prevent over-expansion of thermal ellipsoids. During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I312	0.4079 (2)	0.0126 (4)	0.6432 (2)	0.108 (2)	0.4902
I308	0.29409 (6)	0.98109 (15)	0.48821 (7)	0.0744 (4)	0.660 (3)
I301	0.1234 (2)	0.6109 (5)	−0.2325 (2)	0.117 (2)	0.5298
I311	0.5108 (3)	0.1765 (7)	0.6025 (3)	0.167 (3)	0.4902
I405	0.3938 (2)	0.5125 (3)	0.13642 (14)	0.193 (3)	0.5417
I302	0.06486 (18)	0.5208 (3)	−0.1334 (2)	0.188 (3)	0.5298
I307	0.19829 (6)	0.90338 (11)	0.38092 (7)	0.0952 (6)	0.660 (3)
I304	0.3211 (3)	1.4650 (4)	0.0009 (2)	0.262 (5)	0.509 (3)
I303	0.22428 (8)	1.46323 (13)	−0.09930 (7)	0.0778 (6)	0.509 (3)
I409	0.13976 (17)	0.1012 (4)	0.27394 (19)	0.0793 (10)	0.356
I406	0.50080 (18)	0.6598 (5)	0.09978 (17)	0.184 (3)	0.5417
I410	0.06699 (17)	0.0015 (3)	0.36233 (14)	0.0780 (9)	0.356
Zn36	0.4453 (3)	0.1579 (6)	0.6291 (3)	0.104 (4)	0.4902
Zn31	0.0913 (3)	0.6417 (6)	−0.1733 (2)	0.105 (4)	0.5298
Zn43	0.4312 (2)	0.6535 (4)	0.12312 (18)	0.084 (3)	0.5417
Zn45	0.1046 (3)	0.1198 (6)	0.3312 (3)	0.0582 (17)	0.356
Zn34	0.27132 (11)	0.8857 (3)	0.42665 (12)	0.0665 (8)	0.660 (3)
Zn32	0.2897 (4)	1.4006 (4)	−0.0646 (3)	0.167 (5)	0.509 (3)
N304	0.3101 (3)	0.9435 (5)	−0.0198 (2)	0.059 (2)
N302	0.2710 (2)	0.8096 (4)	−0.0372 (2)	0.057 (2)
N316	0.2740 (3)	0.2972 (5)	0.4776 (3)	0.070 (2)
N303	0.2506 (3)	0.9403 (5)	−0.0748 (2)	0.059 (2)
N322	0.4491 (4)	0.5332 (5)	0.8310 (3)	0.074 (3)
N309	0.4638 (3)	0.9757 (5)	0.2733 (3)	0.063 (2)
N321	0.4805 (3)	0.4821 (5)	0.7787 (2)	0.065 (2)
N310	0.4332 (3)	1.0238 (6)	0.3263 (3)	0.064 (2)
N314	0.3100 (3)	0.4350 (5)	0.4939 (3)	0.065 (2)
N311	0.5436 (3)	1.2570 (6)	0.3155 (3)	0.071 (3)
N315	0.2518 (3)	0.4236 (5)	0.4375 (3)	0.068 (2)
N318	0.3957 (3)	0.2190 (6)	0.5905 (3)	0.076 (3)
N320	0.4240 (4)	0.4013 (6)	0.7970 (3)	0.073 (3)
N301	0.1400 (3)	0.7151 (5)	−0.1358 (3)	0.085 (3)
N319	0.4516 (3)	0.2350 (6)	0.6794 (3)	0.072 (2)
N313	0.2783 (4)	0.7516 (6)	0.4415 (3)	0.082 (3)
N305	0.2900 (4)	1.2638 (6)	−0.0591 (3)	0.085 (3)
N308	0.4071 (3)	0.8933 (6)	0.2910 (3)	0.072 (2)
N306	0.3869 (3)	0.7213 (6)	0.0787 (3)	0.078 (3)
N307	0.4347 (3)	0.7350 (6)	0.1709 (3)	0.077 (3)
C357	0.4541 (4)	0.3503 (6)	0.7421 (3)	0.064 (3)
C325	0.4600 (3)	1.0318 (6)	0.3024 (3)	0.060 (2)
C307	0.2822 (3)	0.9818 (5)	−0.0499 (3)	0.058 (2)
C327	0.4882 (3)	1.1121 (7)	0.3058 (3)	0.062 (3)
C361	0.4760 (4)	0.5412 (7)	0.8072 (3)	0.065 (3)
N323	0.5572 (4)	0.7727 (7)	0.8187 (4)	0.086 (3)
C306	0.2465 (3)	0.8548 (6)	−0.0664 (3)	0.055 (2)
C309	0.2859 (3)	1.0802 (6)	−0.0538 (3)	0.057 (2)
N317	0.1472 (3)	0.1933 (6)	0.3739 (3)	0.091 (4)
C303	0.2094 (3)	0.8047 (6)	−0.0914 (3)	0.062 (3)
C308	0.3036 (3)	0.8566 (6)	−0.0152 (3)	0.056 (2)
C316	0.3332 (3)	0.8082 (6)	0.0173 (3)	0.062 (3)
C360	0.4526 (4)	0.4146 (7)	0.7751 (3)	0.063 (3)
C324	0.4355 (4)	0.9061 (6)	0.2691 (3)	0.064 (3)
C328	0.5108 (4)	1.1357 (7)	0.2781 (4)	0.067 (3)
H328	0.507341	1.100895	0.254712	0.080*
N324	0.3378 (5)	0.4217 (7)	0.9024 (4)	0.104 (4)
C321	0.4357 (4)	0.8459 (7)	0.2352 (3)	0.062 (4)	0.96 (4)
N312	0.3191 (4)	0.9037 (7)	0.3946 (3)	0.091 (3)
C363	0.5035 (4)	0.6227 (6)	0.8106 (4)	0.073 (3)
C344	0.3053 (3)	0.3496 (7)	0.4994 (3)	0.067 (3)
C339	0.2816 (4)	0.5678 (7)	0.4554 (3)	0.069 (3)
C343	0.2493 (4)	0.3372 (6)	0.4477 (3)	0.068 (3)
C352	0.3357 (4)	0.3032 (7)	0.5316 (3)	0.071 (3)
C326	0.4075 (4)	0.9519 (8)	0.3194 (3)	0.073 (3)
C304	0.2014 (3)	0.7186 (7)	−0.0825 (4)	0.075 (3)
H304	0.219896	0.689019	−0.061044	0.090*
C345	0.2137 (4)	0.2850 (7)	0.4231 (4)	0.076 (3)
C362	0.4243 (4)	0.4613 (7)	0.8256 (3)	0.072 (3)
C342	0.2825 (4)	0.4703 (6)	0.4628 (3)	0.070 (3)
C349	0.2076 (4)	0.1969 (7)	0.4282 (4)	0.079 (3)
H349	0.226298	0.165085	0.448685	0.095*
C370	0.3942 (4)	0.4469 (7)	0.8524 (4)	0.074 (3)
C315	0.3251 (4)	0.7225 (6)	0.0264 (3)	0.072 (3)
H315	0.300756	0.691496	0.011614	0.087*
C314	0.3525 (4)	0.6815 (7)	0.0572 (3)	0.076 (3)
H314	0.346505	0.621749	0.063507	0.091*
C356	0.4804 (4)	0.3607 (8)	0.7167 (4)	0.077 (3)
H356	0.500470	0.408690	0.720153	0.092*
C329	0.5379 (4)	1.2063 (7)	0.2823 (4)	0.073 (3)
H329	0.552970	1.220377	0.262077	0.088*
C364	0.5291 (5)	0.6398 (8)	0.7843 (4)	0.083 (4)
H364	0.529357	0.601079	0.762550	0.099*
C310	0.2629 (4)	1.1260 (7)	−0.0867 (3)	0.077 (3)
H310	0.245024	1.094497	−0.107812	0.093*
C311	0.2666 (5)	1.2181 (7)	−0.0881 (4)	0.088 (4)
H311	0.251591	1.249032	−0.110854	0.106*
C350	0.3995 (4)	0.3042 (7)	0.5831 (4)	0.098 (5)
H350	0.423187	0.335951	0.598440	0.118*
C334	0.3771 (4)	0.9343 (8)	0.3459 (4)	0.076 (3)
C305	0.1657 (4)	0.6739 (7)	−0.1052 (4)	0.084 (4)
H305	0.159633	0.614219	−0.098879	0.101*
C313	0.3129 (4)	1.1298 (7)	−0.0253 (4)	0.079 (3)
H313	0.332116	1.101518	−0.003906	0.094*
C354	0.3621 (4)	0.1748 (8)	0.5687 (4)	0.081 (3)
H354	0.358650	0.113178	0.573732	0.097*
C312	0.3114 (5)	1.2217 (7)	−0.0286 (4)	0.085 (4)
H312	0.327006	1.255996	−0.007145	0.102*
C302	0.1823 (4)	0.8465 (7)	−0.1228 (4)	0.088 (4)
H302	0.186817	0.907154	−0.128911	0.106*
C317	0.3683 (5)	0.8508 (7)	0.0401 (4)	0.096 (5)
H317	0.373950	0.911730	0.035505	0.115*
C351	0.3709 (4)	0.3501 (8)	0.5544 (4)	0.095 (5)
H351	0.374859	0.411867	0.550039	0.114*
O3A	0.7464 (5)	0.9702 (9)	0.3155 (4)	0.072 (3)	0.503
C331	0.4928 (4)	1.1649 (8)	0.3389 (4)	0.085 (4)
H331	0.477030	1.152101	0.358787	0.102*
C301	0.1492 (4)	0.7995 (7)	−0.1446 (4)	0.093 (5)
H301	0.131722	0.827201	−0.167163	0.111*
C353	0.3330 (4)	0.2150 (7)	0.5397 (4)	0.082 (4)
H353	0.310106	0.180724	0.524630	0.098*
C355	0.4784 (4)	0.3023 (8)	0.6860 (4)	0.081 (3)
H355	0.497498	0.311201	0.668496	0.098*
C320	0.4690 (5)	0.8394 (9)	0.2172 (4)	0.091 (4)
H320	0.494199	0.873751	0.226879	0.109*
C358	0.4296 (4)	0.2720 (8)	0.7389 (4)	0.084 (3)
H358	0.413424	0.257392	0.758271	0.101*
C341	0.3038 (4)	0.7180 (8)	0.4729 (4)	0.083 (4)
H341	0.320996	0.757917	0.491024	0.100*
C340	0.3072 (5)	0.6265 (7)	0.4812 (4)	0.087 (4)
H340	0.326590	0.605086	0.504142	0.105*
C337	0.2556 (6)	0.6931 (8)	0.4159 (4)	0.101 (5)
H337	0.238009	0.715588	0.392185	0.121*
O2A	0.6101 (5)	0.9280 (9)	0.2343 (5)	0.072 (3)	0.503
C348	0.1739 (4)	0.1536 (8)	0.4035 (4)	0.089 (4)
H348	0.169590	0.091974	0.408037	0.106*
C359	0.4296 (4)	0.2159 (9)	0.7068 (4)	0.092 (4)
H359	0.413162	0.162366	0.704493	0.110*
C330	0.5209 (5)	1.2373 (9)	0.3429 (5)	0.094 (4)
H330	0.524004	1.273861	0.365780	0.113*
C369	0.3600 (6)	0.3954 (10)	0.8417 (5)	0.108 (5)
H369	0.354253	0.366882	0.816547	0.130*
C365	0.5557 (5)	0.7187 (8)	0.7907 (5)	0.091 (4)
H365	0.573454	0.730786	0.772348	0.109*
C318	0.3953 (5)	0.8037 (8)	0.0698 (5)	0.109 (6)
H318	0.420708	0.831734	0.084134	0.131*
C335	0.3812 (5)	0.9782 (10)	0.3817 (5)	0.105 (5)
H335	0.403391	1.021296	0.389347	0.126*
C338	0.2565 (5)	0.6023 (8)	0.4221 (4)	0.094 (4)
H338	0.239534	0.563829	0.403133	0.113*
C319	0.4679 (5)	0.7849 (10)	0.1853 (4)	0.097 (4)
H319	0.492191	0.783479	0.173245	0.116*
C346	0.1866 (7)	0.3280 (8)	0.3906 (8)	0.118 (9)	0.94 (5)
H346	0.191258	0.388120	0.383832	0.142*	0.94 (5)
C366	0.5321 (6)	0.7575 (10)	0.8433 (6)	0.125 (6)
H366	0.532648	0.798686	0.864253	0.151*
C347	0.1531 (7)	0.2779 (8)	0.3695 (8)	0.118 (9)	0.94 (5)
H347	0.132449	0.308112	0.349895	0.142*	0.94 (5)
O1A	0.7083 (4)	0.7604 (10)	0.1943 (4)	0.076 (4)	0.503
H1A	0.735217	0.762123	0.202791	0.114*	0.503
C336	0.3535 (6)	0.9598 (12)	0.4060 (5)	0.118 (6)
H336	0.358260	0.986645	0.431492	0.142*
C372	0.3739 (6)	0.4739 (11)	0.9130 (5)	0.107 (5)
H372	0.380015	0.501083	0.938366	0.129*
C368	0.3321 (7)	0.3833 (10)	0.8681 (5)	0.116 (6)
H368	0.307848	0.344997	0.860371	0.139*
C367	0.5033 (6)	0.6809 (11)	0.8405 (5)	0.115 (6)
H367	0.485152	0.672200	0.858879	0.138*
C371	0.4005 (6)	0.4873 (11)	0.8885 (5)	0.107 (5)
H371	0.424524	0.526135	0.896381	0.129*
C4A	0.6805 (4)	0.8549 (5)	0.2838 (3)	0.051 (3)	0.503
C3A	0.6759 (4)	0.8281 (6)	0.3212 (3)	0.049 (3)	0.503
H3A	0.672014	0.871419	0.340211	0.059*	0.503
C2A	0.6771 (4)	0.7379 (7)	0.3308 (3)	0.062 (4)	0.503
H2A	0.673902	0.719531	0.356330	0.074*	0.503
C1A	0.6828 (4)	0.6745 (5)	0.3030 (4)	0.068 (4)	0.503
H1AA	0.683559	0.612804	0.309542	0.082*	0.503
C6A	0.6874 (4)	0.7013 (6)	0.2656 (3)	0.069 (4)	0.503
H6A	0.691328	0.657965	0.246636	0.083*	0.503
C5A	0.6863 (4)	0.7915 (7)	0.2561 (3)	0.064 (4)	0.503
C333	0.3438 (7)	0.8750 (14)	0.3368 (6)	0.142 (8)
H333	0.339876	0.841816	0.312856	0.170*
C332	0.3153 (7)	0.8623 (12)	0.3622 (5)	0.140 (8)
H332	0.292244	0.821056	0.354781	0.168*
C12A	0.7110 (6)	1.0089 (9)	0.2917 (5)	0.064 (4)	0.503
C7A	0.6775 (5)	0.9521 (8)	0.2742 (5)	0.057 (3)	0.503
C8A	0.6407 (6)	0.9880 (9)	0.2500 (5)	0.061 (4)	0.503
C9A	0.6377 (7)	1.0796 (9)	0.2423 (6)	0.082 (5)	0.503
H9A	0.612957	1.103491	0.225052	0.098*	0.503
C322	0.3963 (6)	0.8003 (15)	0.2167 (6)	0.100 (5)	0.710 (17)
H322	0.370935	0.805955	0.226999	0.120*	0.710 (17)
C323	0.3963 (6)	0.7490 (15)	0.1841 (6)	0.100 (5)	0.710 (17)
H323	0.370154	0.722562	0.170328	0.120*	0.710 (17)
C15A	0.7834 (7)	1.0243 (17)	0.3303 (7)	0.085 (7)	0.503
H15A	0.798843	1.036077	0.309103	0.127*	0.503
H15B	0.802644	0.992965	0.352054	0.127*	0.503
H15C	0.774236	1.080988	0.340082	0.127*	0.503
C10A	0.6710 (7)	1.1350 (11)	0.2599 (6)	0.087 (5)	0.503
H10A	0.668269	1.197683	0.255942	0.105*	0.503
C11A	0.7084 (7)	1.1002 (10)	0.2833 (6)	0.086 (5)	0.503
H11A	0.732113	1.138251	0.293501	0.104*	0.503
C13A	0.6882 (8)	0.8227 (11)	0.2153 (5)	0.081 (5)	0.503
H13A	0.658451	0.834062	0.200186	0.097*	0.503
H13B	0.704247	0.879804	0.217283	0.097*	0.503
I411	0.51187 (15)	0.1613 (4)	0.60512 (16)	0.0827 (13)	0.4377
I412	0.4137 (2)	0.0033 (3)	0.65104 (18)	0.0692 (9)	0.4377
Zn46	0.44454 (19)	0.1513 (5)	0.6313 (2)	0.053 (2)	0.4377
I305	0.39916 (17)	0.5070 (3)	0.13856 (16)	0.1174 (17)	0.4583
Zn33	0.4305 (2)	0.6547 (5)	0.12127 (19)	0.104 (5)	0.4583
I306	0.50439 (17)	0.6715 (5)	0.10353 (19)	0.1191 (18)	0.4583
I402	0.06213 (11)	0.5363 (3)	−0.12650 (17)	0.0848 (10)	0.4191
Zn41	0.0899 (2)	0.6470 (6)	−0.1712 (2)	0.063 (3)	0.4191
I401	0.1142 (3)	0.6101 (6)	−0.2342 (2)	0.1011 (19)	0.4191
I310	0.06153 (16)	0.0175 (3)	0.37587 (17)	0.193 (3)	0.6166
Zn35	0.0960 (3)	0.1293 (5)	0.3362 (2)	0.116 (3)	0.6166
I309	0.12814 (16)	0.0977 (4)	0.27774 (18)	0.186 (3)	0.6166
I504	0.2915 (4)	1.4887 (8)	−0.0233 (4)	0.080*	0.0834 (19)
Zn52	0.2656 (7)	1.3873 (12)	−0.0802 (6)	0.080*	0.0834 (19)
I503	0.1950 (4)	1.4065 (9)	−0.1207 (3)	0.080*	0.0834 (19)
I408	0.3155 (4)	0.9690 (4)	0.5015 (3)	0.202 (4)	0.340 (3)
Zn44	0.2845 (5)	0.8898 (6)	0.4370 (4)	0.174 (7)	0.340 (3)
I407	0.2105 (4)	0.9335 (5)	0.3961 (4)	0.273 (6)	0.340 (3)
I403	0.2136 (4)	1.4461 (5)	−0.1036 (4)	0.329 (7)	0.408 (3)
I404	0.32943 (11)	1.4664 (2)	0.00741 (11)	0.0767 (8)	0.408 (3)
Zn42	0.29639 (19)	1.4056 (4)	−0.06113 (15)	0.0506 (13)	0.408 (3)
I502	0.0538 (6)	0.5383 (12)	−0.0964 (6)	0.080*	0.0512
I501	0.1026 (6)	0.5692 (12)	−0.2057 (5)	0.080*	0.0512
Zn51	0.0796 (13)	0.628 (3)	−0.1448 (12)	0.080*	0.0512
I510	0.0907 (12)	0.003 (2)	0.3459 (10)	0.080*	0.0273
I509	0.1277 (14)	0.120 (3)	0.2546 (11)	0.080*	0.0273
Zn55	0.104 (3)	0.153 (3)	0.3175 (16)	0.080*	0.0273
I512	0.4312 (5)	0.0110 (10)	0.6299 (4)	0.080*	0.0721
Zn56	0.4328 (17)	0.158 (4)	0.6291 (17)	0.080*	0.0721
I511	0.5225 (11)	0.175 (3)	0.6057 (11)	0.080*	0.0721
C422	0.4206 (17)	0.7553 (19)	0.2354 (10)	0.100 (5)	0.290 (17)
H422	0.409784	0.733704	0.257251	0.120*	0.290 (17)
C423	0.4219 (16)	0.701 (2)	0.2042 (9)	0.100 (5)	0.290 (17)
H423	0.414072	0.639478	0.205019	0.120*	0.290 (17)
C3	0.171 (2)	0.320 (12)	0.414 (8)	0.118 (9)	0.06 (5)
H3	0.164098	0.374778	0.424941	0.142*	0.06 (5)
C0	0.141 (3)	0.271 (10)	0.388 (8)	0.118 (9)	0.06 (5)
H0	0.112771	0.295609	0.380619	0.142*	0.06 (5)
C14A	0.5709 (7)	0.961 (2)	0.2098 (10)	0.113 (10)	0.503
H14A	0.577971	1.000243	0.189346	0.170*	0.503
H14B	0.554588	0.994663	0.226017	0.170*	0.503
H14C	0.553470	0.910746	0.197167	0.170*	0.503
C808	0.1693 (19)	0.738 (4)	0.6632 (9)	0.129 (19)	0.1896
H80A	0.164194	0.677037	0.672120	0.155*	0.1896
H80B	0.184832	0.772199	0.686480	0.155*	0.1896
C809	0.1974 (16)	0.734 (4)	0.6318 (12)	0.129 (19)	0.1896
H80C	0.204622	0.794745	0.624631	0.155*	0.1896
H80D	0.224756	0.702034	0.643042	0.155*	0.1896
C810	0.1735 (19)	0.684 (3)	0.5946 (12)	0.119 (19)	0.1896
H81A	0.191156	0.685826	0.574207	0.142*	0.1896
H81B	0.169472	0.620825	0.601242	0.142*	0.1896
C811	0.1291 (19)	0.727 (4)	0.5779 (9)	0.127 (19)	0.1896
H81C	0.113657	0.690278	0.555356	0.152*	0.1896
H81D	0.133336	0.787080	0.567887	0.152*	0.1896
C812	0.1014 (16)	0.733 (4)	0.6094 (13)	0.131 (19)	0.1896
H81E	0.074058	0.764151	0.598181	0.157*	0.1896
H81F	0.094242	0.672005	0.617199	0.157*	0.1896
C807	0.1257 (19)	0.784 (4)	0.6462 (14)	0.13 (2)	0.1896
H80E	0.107883	0.784506	0.666570	0.161*	0.1896
H80F	0.130650	0.845997	0.638979	0.161*	0.1896
C805	0.4080 (14)	0.847 (4)	0.4704 (10)	0.131 (18)	0.218
H80G	0.377000	0.861631	0.466959	0.157*	0.218
H80H	0.413446	0.829171	0.444299	0.157*	0.218
C804	0.4353 (17)	0.929 (4)	0.4855 (12)	0.137 (18)	0.218
H80I	0.466124	0.916568	0.486363	0.164*	0.218
H80J	0.426450	0.979771	0.467008	0.164*	0.218
C803	0.430 (2)	0.956 (3)	0.5270 (13)	0.146 (19)	0.218
H80K	0.399720	0.977047	0.525453	0.175*	0.218
H80L	0.449416	1.006561	0.536813	0.175*	0.218
C802	0.4394 (18)	0.878 (4)	0.5562 (10)	0.140 (19)	0.218
H80M	0.470546	0.863078	0.560764	0.168*	0.218
H80N	0.432973	0.896126	0.581914	0.168*	0.218
C801	0.4126 (17)	0.795 (4)	0.5407 (13)	0.142 (18)	0.218
H80O	0.381631	0.807691	0.539392	0.170*	0.218
H80P	0.421227	0.744855	0.559281	0.170*	0.218
C806	0.4190 (15)	0.768 (3)	0.4994 (14)	0.134 (18)	0.218
H80Q	0.449338	0.749826	0.501082	0.161*	0.218
H80R	0.400118	0.716855	0.489505	0.161*	0.218
C4B	0.2356 (12)	0.7576 (16)	0.2587 (10)	0.080*	0.163
C5B	0.2594 (12)	0.7450 (17)	0.2297 (10)	0.080*	0.163
C6B	0.2782 (14)	0.818 (2)	0.2149 (11)	0.080*	0.163
H6B	0.294535	0.808953	0.195056	0.096*	0.163
C1B	0.2732 (17)	0.9030 (19)	0.2290 (14)	0.080*	0.163
H1B	0.286050	0.952630	0.218880	0.096*	0.163
C2B	0.2494 (17)	0.9156 (16)	0.2580 (14)	0.080*	0.163
H2B	0.245906	0.973979	0.267684	0.096*	0.163
C3B	0.2305 (14)	0.8430 (18)	0.2729 (11)	0.080*	0.163
H3B	0.214246	0.851652	0.292665	0.096*	0.163
C7B	0.2205 (8)	0.6771 (16)	0.2772 (8)	0.080*	0.163
C12B	0.1821 (8)	0.637 (2)	0.2579 (9)	0.080*	0.163
C11B	0.1724 (10)	0.551 (2)	0.2676 (11)	0.080*	0.163
H11B	0.146140	0.523647	0.254375	0.096*	0.163
C10B	0.2010 (12)	0.5040 (18)	0.2966 (12)	0.080*	0.163
H10B	0.194274	0.444868	0.303208	0.096*	0.163
C9B	0.2393 (11)	0.544 (2)	0.3159 (11)	0.080*	0.163
H9B	0.258852	0.511769	0.335716	0.096*	0.163
C8B	0.2491 (8)	0.6303 (19)	0.3062 (8)	0.080*	0.163
O3B	0.1555 (11)	0.681 (2)	0.2269 (11)	0.080*	0.163
O2B	0.2859 (10)	0.670 (2)	0.3249 (11)	0.080*	0.163
C15B	0.1177 (15)	0.633 (4)	0.2071 (17)	0.080*	0.163
H15D	0.118297	0.572064	0.217946	0.120*	0.163
H15E	0.117278	0.629392	0.178700	0.120*	0.163
H15F	0.091710	0.663623	0.211134	0.120*	0.163
C14B	0.3188 (15)	0.618 (4)	0.3494 (19)	0.080*	0.163
H14D	0.346835	0.647154	0.351279	0.120*	0.163
H14E	0.319508	0.558429	0.337807	0.120*	0.163
H14F	0.312540	0.612603	0.375859	0.120*	0.163
O1B	0.2931 (15)	0.637 (3)	0.1927 (14)	0.080*	0.163
H1BA	0.314812	0.611685	0.206567	0.120*	0.163
C13B	0.2618 (17)	0.650 (2)	0.2155 (16)	0.080*	0.163
H13C	0.268224	0.610166	0.238704	0.096*	0.163
H13D	0.233214	0.633296	0.199437	0.096*	0.163

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I312	0.132 (4)	0.0529 (17)	0.111 (3)	0.0100 (19)	−0.036 (2)	0.0196 (14)
I308	0.0910 (9)	0.0438 (6)	0.0954 (10)	−0.0142 (6)	0.0352 (7)	−0.0133 (6)
I301	0.078 (4)	0.086 (2)	0.173 (4)	−0.005 (2)	−0.005 (3)	−0.051 (2)
I311	0.169 (5)	0.176 (6)	0.143 (5)	0.082 (4)	0.002 (3)	−0.020 (4)
I405	0.301 (6)	0.0454 (17)	0.141 (3)	−0.024 (2)	−0.157 (3)	0.0222 (15)
I302	0.201 (4)	0.0522 (19)	0.230 (5)	−0.0205 (19)	−0.136 (4)	0.038 (2)
I307	0.0897 (9)	0.0474 (8)	0.1341 (13)	0.0008 (7)	−0.0084 (9)	0.0139 (8)
I304	0.567 (13)	0.087 (3)	0.196 (5)	−0.148 (5)	0.226 (7)	−0.090 (3)
I303	0.0846 (11)	0.0264 (7)	0.1238 (15)	0.0049 (7)	0.0252 (10)	−0.0067 (8)
I409	0.0595 (15)	0.0677 (17)	0.099 (2)	0.0083 (12)	−0.0091 (15)	−0.0310 (16)
I406	0.191 (4)	0.260 (6)	0.077 (2)	0.161 (4)	−0.028 (2)	−0.015 (3)
I410	0.0822 (19)	0.0297 (12)	0.1053 (18)	0.0011 (11)	−0.0177 (14)	0.0010 (11)
Zn36	0.129 (8)	0.057 (4)	0.096 (6)	0.023 (4)	−0.043 (5)	−0.028 (4)
Zn31	0.094 (5)	0.046 (4)	0.131 (7)	0.009 (3)	−0.076 (4)	−0.017 (4)
Zn43	0.123 (6)	0.043 (4)	0.079 (5)	0.024 (3)	0.005 (3)	−0.007 (3)
Zn45	0.046 (3)	0.019 (2)	0.093 (4)	0.009 (2)	−0.023 (2)	−0.013 (2)
Zn34	0.0730 (14)	0.0418 (16)	0.0852 (17)	−0.0105 (11)	0.0178 (13)	0.0010 (12)
Zn32	0.297 (14)	0.023 (3)	0.226 (10)	0.010 (5)	0.154 (9)	−0.005 (4)
N304	0.074 (5)	0.027 (3)	0.062 (5)	−0.003 (3)	−0.018 (4)	−0.010 (3)
N302	0.056 (4)	0.027 (3)	0.073 (5)	0.002 (3)	−0.018 (4)	−0.008 (3)
N316	0.060 (5)	0.046 (4)	0.086 (6)	0.001 (4)	−0.021 (4)	−0.021 (4)
N303	0.069 (5)	0.031 (4)	0.063 (5)	0.005 (3)	−0.014 (4)	−0.012 (3)
N322	0.099 (7)	0.039 (4)	0.073 (6)	−0.003 (4)	−0.010 (5)	−0.006 (4)
N309	0.069 (5)	0.048 (4)	0.065 (5)	−0.003 (4)	−0.005 (4)	−0.007 (4)
N321	0.079 (6)	0.037 (4)	0.064 (5)	−0.002 (4)	−0.014 (4)	−0.006 (4)
N310	0.067 (5)	0.061 (5)	0.058 (5)	−0.010 (4)	−0.004 (4)	−0.005 (4)
N314	0.066 (5)	0.034 (4)	0.080 (6)	−0.002 (3)	−0.016 (4)	−0.010 (4)
N311	0.062 (5)	0.045 (4)	0.091 (7)	0.005 (4)	−0.019 (5)	0.001 (4)
N315	0.074 (6)	0.040 (4)	0.079 (6)	−0.004 (4)	−0.010 (4)	−0.008 (4)
N318	0.085 (6)	0.051 (5)	0.078 (6)	0.000 (4)	−0.016 (5)	−0.019 (4)
N320	0.101 (7)	0.049 (5)	0.059 (5)	−0.002 (5)	−0.005 (5)	0.002 (4)
N301	0.071 (6)	0.039 (4)	0.116 (8)	0.012 (4)	−0.048 (5)	−0.015 (5)
N319	0.084 (6)	0.066 (6)	0.063 (5)	−0.006 (5)	0.009 (5)	−0.012 (4)
N313	0.097 (7)	0.049 (5)	0.092 (7)	−0.006 (5)	0.004 (6)	−0.001 (5)
N305	0.133 (9)	0.043 (5)	0.075 (6)	−0.006 (5)	0.012 (6)	−0.005 (5)
N308	0.091 (7)	0.054 (5)	0.066 (5)	−0.018 (5)	0.009 (5)	−0.014 (4)
N306	0.094 (7)	0.044 (5)	0.074 (6)	0.015 (4)	−0.030 (5)	−0.014 (4)
N307	0.090 (7)	0.060 (5)	0.065 (5)	−0.002 (5)	−0.022 (5)	−0.010 (4)
C357	0.087 (7)	0.038 (5)	0.058 (6)	−0.012 (5)	−0.007 (5)	−0.001 (4)
C325	0.063 (6)	0.041 (5)	0.064 (6)	−0.008 (4)	−0.012 (5)	−0.003 (4)
C307	0.078 (6)	0.027 (4)	0.059 (5)	0.006 (4)	−0.009 (5)	−0.006 (4)
C327	0.056 (5)	0.054 (5)	0.066 (6)	−0.008 (4)	−0.011 (5)	−0.015 (5)
C361	0.080 (7)	0.045 (5)	0.060 (6)	0.011 (5)	−0.007 (5)	0.003 (5)
N323	0.081 (7)	0.058 (6)	0.101 (8)	0.004 (5)	−0.019 (6)	−0.007 (6)
C306	0.055 (5)	0.035 (4)	0.065 (6)	0.003 (4)	−0.011 (4)	−0.008 (4)
C309	0.075 (6)	0.027 (4)	0.064 (6)	−0.003 (4)	0.000 (5)	−0.009 (4)
N317	0.087 (7)	0.042 (5)	0.116 (8)	0.006 (4)	−0.043 (6)	−0.011 (5)
C303	0.063 (6)	0.030 (4)	0.076 (6)	−0.001 (4)	−0.024 (5)	−0.014 (4)
C308	0.067 (6)	0.029 (4)	0.067 (6)	0.006 (4)	−0.002 (5)	−0.005 (4)
C316	0.068 (6)	0.041 (5)	0.062 (6)	0.010 (4)	−0.021 (5)	−0.005 (4)
C360	0.076 (7)	0.053 (5)	0.050 (5)	0.001 (5)	−0.011 (5)	0.006 (4)
C324	0.080 (7)	0.046 (5)	0.059 (6)	−0.013 (5)	−0.002 (5)	0.003 (4)
C328	0.068 (6)	0.043 (5)	0.079 (7)	−0.003 (5)	−0.005 (5)	−0.003 (5)
N324	0.176 (13)	0.052 (6)	0.092 (8)	0.027 (7)	0.050 (8)	0.007 (6)
C321	0.078 (8)	0.045 (6)	0.056 (6)	−0.007 (5)	−0.001 (5)	−0.012 (4)
N312	0.115 (9)	0.069 (6)	0.086 (7)	−0.035 (6)	0.012 (6)	−0.007 (5)
C363	0.071 (7)	0.038 (5)	0.092 (8)	0.002 (5)	−0.024 (6)	−0.004 (5)
C344	0.060 (6)	0.052 (6)	0.075 (7)	0.007 (4)	−0.016 (5)	−0.018 (5)
C339	0.066 (6)	0.053 (6)	0.081 (7)	−0.006 (5)	−0.002 (5)	−0.015 (5)
C343	0.085 (7)	0.036 (5)	0.072 (6)	0.000 (5)	−0.010 (5)	−0.013 (4)
C352	0.072 (7)	0.044 (5)	0.082 (7)	0.002 (5)	−0.018 (5)	−0.014 (5)
C326	0.091 (8)	0.062 (6)	0.058 (6)	−0.022 (6)	−0.003 (5)	−0.007 (5)
C304	0.063 (6)	0.046 (5)	0.094 (8)	0.003 (4)	−0.032 (6)	0.001 (5)
C345	0.076 (7)	0.045 (5)	0.088 (8)	−0.003 (5)	−0.027 (6)	−0.016 (5)
C362	0.094 (8)	0.051 (6)	0.064 (6)	0.016 (6)	0.004 (6)	0.009 (5)
C342	0.091 (8)	0.034 (5)	0.080 (7)	0.003 (5)	0.003 (6)	−0.011 (5)
C349	0.081 (8)	0.050 (6)	0.091 (8)	−0.002 (5)	−0.015 (6)	−0.001 (5)
C370	0.091 (8)	0.046 (5)	0.081 (8)	0.006 (5)	0.006 (6)	0.001 (5)
C315	0.094 (8)	0.037 (5)	0.069 (6)	0.005 (5)	−0.018 (6)	−0.002 (4)
C314	0.102 (9)	0.042 (5)	0.067 (6)	0.000 (5)	−0.020 (6)	−0.008 (5)
C356	0.083 (8)	0.072 (7)	0.069 (7)	−0.024 (6)	0.001 (6)	−0.019 (6)
C329	0.077 (7)	0.056 (6)	0.078 (7)	0.012 (5)	−0.004 (6)	0.009 (5)
C364	0.103 (9)	0.056 (6)	0.070 (7)	−0.004 (6)	−0.021 (7)	−0.006 (5)
C310	0.099 (8)	0.037 (5)	0.077 (7)	0.007 (5)	−0.023 (6)	−0.004 (5)
C311	0.121 (11)	0.039 (5)	0.092 (9)	0.020 (6)	−0.006 (8)	0.009 (6)
C350	0.095 (9)	0.040 (5)	0.126 (11)	−0.003 (5)	−0.052 (8)	−0.020 (6)
C334	0.090 (8)	0.063 (7)	0.070 (7)	−0.014 (6)	0.006 (6)	−0.005 (5)
C305	0.078 (7)	0.037 (5)	0.116 (10)	−0.001 (5)	−0.030 (7)	−0.001 (5)
C313	0.110 (9)	0.038 (5)	0.074 (7)	−0.014 (5)	−0.013 (6)	−0.008 (5)
C354	0.081 (8)	0.051 (6)	0.097 (9)	−0.005 (5)	−0.011 (6)	−0.018 (6)
C312	0.134 (11)	0.043 (5)	0.064 (7)	−0.012 (6)	−0.006 (7)	−0.013 (5)
C302	0.093 (8)	0.042 (5)	0.106 (9)	−0.001 (5)	−0.033 (7)	0.001 (6)
C317	0.114 (10)	0.034 (5)	0.106 (9)	−0.007 (5)	−0.053 (8)	0.001 (5)
C351	0.093 (9)	0.050 (6)	0.111 (10)	−0.006 (6)	−0.046 (8)	−0.014 (6)
O3A	0.104 (9)	0.055 (7)	0.054 (7)	−0.040 (6)	0.014 (6)	−0.013 (5)
C331	0.094 (9)	0.063 (7)	0.097 (9)	−0.026 (6)	0.018 (7)	−0.027 (6)
C301	0.089 (8)	0.038 (5)	0.123 (10)	−0.003 (5)	−0.044 (7)	−0.004 (6)
C353	0.092 (8)	0.049 (6)	0.087 (8)	−0.005 (6)	−0.022 (7)	−0.012 (5)
C355	0.094 (9)	0.073 (7)	0.074 (7)	−0.026 (7)	0.012 (6)	−0.013 (6)
C320	0.077 (8)	0.083 (9)	0.099 (9)	−0.003 (7)	−0.013 (7)	−0.039 (7)
C358	0.087 (8)	0.066 (7)	0.099 (9)	−0.016 (6)	0.019 (7)	−0.022 (7)
C341	0.085 (8)	0.055 (6)	0.101 (9)	−0.022 (6)	0.000 (7)	−0.027 (6)
C340	0.105 (10)	0.046 (6)	0.097 (9)	−0.010 (6)	−0.012 (7)	−0.014 (6)
C337	0.140 (13)	0.052 (7)	0.096 (10)	0.003 (7)	−0.009 (9)	−0.002 (6)
O2A	0.069 (7)	0.050 (6)	0.097 (10)	0.016 (5)	0.020 (6)	0.016 (7)
C348	0.080 (8)	0.049 (6)	0.116 (10)	−0.016 (5)	−0.026 (7)	0.001 (6)
C359	0.082 (8)	0.069 (8)	0.108 (10)	−0.008 (6)	−0.018 (8)	−0.027 (7)
C330	0.092 (9)	0.080 (9)	0.104 (10)	−0.023 (7)	0.006 (8)	−0.038 (8)
C369	0.144 (14)	0.092 (10)	0.099 (10)	−0.034 (10)	0.049 (10)	−0.038 (8)
C365	0.097 (9)	0.051 (6)	0.106 (10)	−0.007 (6)	−0.020 (7)	0.008 (7)
C318	0.116 (11)	0.046 (6)	0.124 (11)	0.007 (6)	−0.067 (9)	−0.006 (6)
C335	0.108 (11)	0.086 (9)	0.124 (12)	−0.041 (8)	0.034 (9)	−0.033 (9)
C338	0.119 (11)	0.046 (6)	0.097 (9)	0.001 (6)	−0.020 (8)	−0.002 (6)
C319	0.098 (10)	0.095 (10)	0.093 (9)	0.008 (8)	0.006 (8)	−0.027 (8)
C346	0.122 (10)	0.043 (4)	0.141 (15)	−0.003 (5)	−0.080 (11)	0.003 (5)
C366	0.137 (15)	0.066 (9)	0.160 (17)	−0.027 (9)	0.000 (13)	−0.051 (10)
C347	0.122 (10)	0.043 (4)	0.141 (15)	−0.003 (5)	−0.080 (11)	0.003 (5)
O1A	0.055 (8)	0.076 (9)	0.089 (9)	−0.007 (7)	−0.001 (7)	−0.037 (8)
C336	0.157 (16)	0.111 (12)	0.105 (11)	−0.041 (11)	0.068 (12)	−0.040 (10)
C372	0.124 (13)	0.090 (10)	0.110 (12)	−0.023 (9)	0.029 (10)	−0.022 (9)
C368	0.157 (16)	0.079 (9)	0.122 (13)	−0.034 (10)	0.049 (12)	−0.032 (9)
C367	0.130 (13)	0.094 (11)	0.126 (13)	−0.032 (10)	0.040 (11)	−0.045 (10)
C371	0.127 (13)	0.108 (12)	0.095 (10)	−0.008 (10)	0.042 (10)	−0.026 (9)
C4A	0.050 (8)	0.027 (5)	0.073 (7)	0.003 (5)	0.008 (7)	−0.001 (5)
C3A	0.035 (7)	0.037 (6)	0.065 (7)	−0.003 (6)	−0.011 (6)	0.005 (6)
C2A	0.045 (9)	0.045 (7)	0.084 (10)	0.002 (7)	−0.014 (8)	0.015 (6)
C1A	0.049 (9)	0.037 (7)	0.103 (10)	0.009 (7)	−0.020 (8)	0.006 (6)
C6A	0.056 (10)	0.039 (6)	0.102 (10)	0.003 (7)	−0.009 (9)	−0.014 (7)
C5A	0.061 (10)	0.041 (6)	0.085 (8)	0.010 (7)	0.008 (8)	−0.012 (6)
C333	0.175 (19)	0.152 (17)	0.113 (13)	−0.089 (15)	0.064 (13)	−0.053 (12)
C332	0.20 (2)	0.118 (13)	0.118 (13)	−0.096 (14)	0.074 (14)	−0.051 (11)
C12A	0.119 (9)	0.034 (6)	0.043 (8)	−0.020 (6)	0.028 (6)	−0.021 (6)
C7A	0.088 (8)	0.027 (5)	0.059 (9)	−0.003 (5)	0.023 (6)	−0.004 (5)
C8A	0.090 (8)	0.030 (6)	0.072 (10)	0.018 (5)	0.035 (7)	0.006 (6)
C9A	0.143 (15)	0.032 (6)	0.083 (13)	0.020 (7)	0.051 (10)	0.010 (7)
C322	0.083 (9)	0.112 (12)	0.101 (10)	−0.038 (8)	0.009 (7)	−0.057 (9)
C323	0.083 (9)	0.112 (12)	0.101 (10)	−0.038 (8)	0.009 (7)	−0.057 (9)
C15A	0.109 (13)	0.085 (15)	0.069 (13)	−0.056 (12)	0.041 (10)	−0.034 (11)
C10A	0.171 (16)	0.033 (8)	0.074 (12)	0.004 (7)	0.062 (10)	−0.005 (7)
C11A	0.164 (15)	0.033 (7)	0.072 (12)	−0.019 (8)	0.047 (10)	−0.018 (7)
C13A	0.103 (16)	0.057 (10)	0.079 (9)	0.002 (10)	0.010 (10)	−0.021 (7)
I411	0.066 (2)	0.110 (3)	0.0746 (18)	0.026 (2)	0.0201 (18)	0.0116 (18)
I412	0.0789 (15)	0.0321 (12)	0.0745 (19)	0.0157 (10)	−0.0337 (15)	0.0047 (13)
Zn46	0.053 (4)	0.049 (4)	0.051 (4)	0.007 (3)	0.000 (3)	−0.007 (3)
I305	0.157 (3)	0.0485 (19)	0.126 (3)	0.0254 (18)	−0.016 (3)	0.0107 (18)
Zn33	0.139 (8)	0.071 (7)	0.061 (4)	0.044 (5)	−0.072 (4)	−0.018 (4)
I306	0.112 (3)	0.150 (3)	0.100 (4)	0.049 (2)	0.033 (2)	0.019 (3)
I402	0.0672 (14)	0.0303 (12)	0.142 (3)	−0.0019 (9)	−0.0105 (16)	0.0287 (13)
Zn41	0.042 (3)	0.030 (4)	0.108 (7)	0.001 (2)	−0.005 (4)	−0.010 (3)
I401	0.045 (2)	0.090 (2)	0.146 (3)	0.0072 (15)	−0.0292 (16)	−0.080 (2)
I310	0.141 (3)	0.070 (2)	0.326 (7)	−0.0020 (17)	−0.041 (4)	0.067 (3)
Zn35	0.094 (5)	0.050 (3)	0.166 (6)	0.012 (3)	−0.058 (4)	−0.015 (3)
I309	0.158 (4)	0.143 (3)	0.205 (5)	0.040 (3)	−0.083 (3)	−0.090 (3)
I408	0.377 (12)	0.072 (3)	0.209 (7)	−0.090 (5)	0.181 (8)	−0.067 (4)
Zn44	0.299 (19)	0.038 (4)	0.222 (14)	−0.002 (8)	0.140 (14)	−0.007 (6)
I407	0.340 (13)	0.106 (5)	0.442 (16)	0.098 (6)	0.242 (12)	0.073 (7)
I403	0.368 (11)	0.101 (4)	0.635 (16)	0.140 (5)	0.369 (11)	0.182 (6)
I404	0.1227 (19)	0.0486 (15)	0.0631 (13)	−0.0378 (12)	0.0294 (13)	−0.0315 (11)
Zn42	0.076 (3)	0.026 (3)	0.051 (2)	−0.0145 (19)	0.0163 (19)	−0.0090 (17)
C422	0.083 (9)	0.112 (12)	0.101 (10)	−0.038 (8)	0.009 (7)	−0.057 (9)
C423	0.083 (9)	0.112 (12)	0.101 (10)	−0.038 (8)	0.009 (7)	−0.057 (9)
C3	0.122 (10)	0.043 (4)	0.141 (15)	−0.003 (5)	−0.080 (11)	0.003 (5)
C0	0.122 (10)	0.043 (4)	0.141 (15)	−0.003 (5)	−0.080 (11)	0.003 (5)
C14A	0.067 (11)	0.091 (18)	0.18 (3)	0.024 (12)	0.018 (12)	0.046 (18)
C808	0.24 (5)	0.11 (3)	0.07 (2)	−0.10 (3)	0.09 (3)	−0.04 (2)
C809	0.25 (5)	0.10 (3)	0.06 (2)	−0.10 (3)	0.09 (3)	−0.04 (2)
C810	0.25 (5)	0.07 (3)	0.06 (2)	−0.09 (3)	0.09 (3)	−0.03 (2)
C811	0.26 (5)	0.08 (3)	0.07 (2)	−0.08 (3)	0.08 (3)	−0.03 (2)
C812	0.25 (5)	0.10 (3)	0.07 (2)	−0.09 (3)	0.08 (3)	−0.03 (2)
C807	0.24 (5)	0.11 (3)	0.08 (2)	−0.10 (3)	0.09 (3)	−0.05 (2)
C805	0.03 (2)	0.25 (5)	0.10 (2)	0.00 (2)	0.00 (2)	−0.08 (3)
C804	0.07 (2)	0.26 (5)	0.08 (2)	−0.02 (3)	0.01 (2)	−0.08 (3)
C803	0.10 (3)	0.26 (5)	0.08 (2)	0.00 (3)	0.01 (2)	−0.08 (3)
C802	0.09 (3)	0.25 (5)	0.08 (2)	0.01 (3)	0.02 (2)	−0.08 (3)
C801	0.06 (2)	0.26 (5)	0.10 (2)	0.01 (3)	0.00 (2)	−0.07 (3)
C806	0.04 (2)	0.25 (5)	0.11 (3)	−0.01 (3)	0.00 (2)	−0.08 (3)

Geometric parameters (Å, º)

I312—Zn36	2.574 (10)	C320—H320	0.9500
I308—Zn34	2.538 (4)	C320—C319	1.366 (18)
I301—Zn31	2.512 (9)	C358—H358	0.9500
I311—Zn36	2.454 (11)	C358—C359	1.393 (18)
I405—Zn43	2.512 (7)	C341—H341	0.9500
I302—Zn31	2.525 (9)	C341—C340	1.400 (17)
I307—Zn34	2.524 (4)	C340—H340	0.9500
I304—Zn32	2.468 (12)	C337—H337	0.9500
I303—Zn32	2.358 (12)	C337—C338	1.377 (17)
I409—Zn45	2.485 (10)	O2A—C8A	1.35 (2)
I406—Zn43	2.504 (7)	O2A—C14A	1.434 (14)
I410—Zn45	2.502 (8)	C348—H348	0.9500
Zn36—N318	2.047 (13)	C359—H359	0.9500
Zn36—N319	2.063 (12)	C330—H330	0.9500
Zn31—N311^i	2.119 (13)	C369—H369	0.9500
Zn31—N301	2.102 (10)	C369—C368	1.41 (2)
Zn43—N306	2.109 (10)	C365—H365	0.9500
Zn43—N307	2.039 (11)	C365—Zn55^v	2.51 (7)
Zn45—N323^ii	2.181 (16)	C318—H318	0.9500
Zn45—N317	2.089 (12)	C335—H335	0.9500
Zn34—N313	2.075 (10)	C335—C336	1.37 (2)
Zn34—N312	2.075 (13)	C338—H338	0.9500
Zn32—N305	2.057 (11)	C319—H319	0.9500
Zn32—N324^iii	2.114 (17)	C346—H346	0.9500
N304—C307	1.344 (12)	C346—C347	1.377 (17)
N304—C308	1.333 (11)	C366—H366	0.9500
N302—C306	1.323 (12)	C366—C367	1.46 (2)
N302—C308	1.344 (12)	C347—H347	0.9500
N316—C344	1.361 (12)	O1A—H1A	0.8400
N316—C343	1.302 (14)	O1A—C13A	1.415 (9)
N303—C307	1.327 (12)	C336—H336	0.9500
N303—C306	1.325 (12)	C372—H372	0.9500
N322—C361	1.310 (15)	C372—C371	1.33 (2)
N322—C362	1.323 (15)	C368—H368	0.9500
N309—C325	1.335 (13)	C367—H367	0.9500
N309—C324	1.362 (13)	C371—H371	0.9500
N321—C361	1.354 (14)	C4A—C3A	1.3900
N321—C360	1.332 (14)	C4A—C5A	1.3900
N310—C325	1.309 (14)	C4A—C7A	1.492 (12)
N310—C326	1.341 (13)	C3A—H3A	0.9500
N314—C344	1.306 (13)	C3A—C2A	1.3900
N314—C342	1.340 (14)	C2A—H2A	0.9500
N311—C329	1.356 (15)	C2A—C1A	1.3900
N311—C330	1.338 (18)	C1A—H1AA	0.9500
N311—Zn41^iv	2.035 (13)	C1A—C6A	1.3900
N311—Zn51^iv	2.34 (4)	C6A—H6A	0.9500
N315—C343	1.348 (13)	C6A—C5A	1.3900
N315—C342	1.357 (13)	C5A—C13A	1.499 (14)
N318—C350	1.311 (15)	C333—H333	0.9500
N318—C354	1.343 (14)	C333—C332	1.40 (2)
N318—Zn46	2.118 (12)	C332—H332	0.9500
N318—Zn56	1.82 (6)	C12A—C7A	1.393 (14)
N320—C360	1.313 (15)	C12A—C11A	1.398 (14)
N320—C362	1.334 (14)	C7A—C8A	1.392 (14)
N301—C305	1.340 (14)	C8A—C9A	1.397 (14)
N301—C301	1.347 (15)	C9A—H9A	0.9500
N301—Zn41	2.059 (11)	C9A—C10A	1.377 (15)
N301—Zn51	2.28 (4)	C322—H322	0.9500
N319—C355	1.307 (15)	C322—C323	1.36 (2)
N319—C359	1.322 (18)	C323—H323	0.9500
N319—Zn46	2.056 (11)	C15A—H15A	0.9800
N319—Zn56	2.07 (6)	C15A—H15B	0.9800
N313—C341	1.308 (16)	C15A—H15C	0.9800
N313—C337	1.340 (17)	C10A—H10A	0.9500
N313—Zn44	2.088 (13)	C10A—C11A	1.386 (15)
N305—C311	1.307 (16)	C11A—H11A	0.9500
N305—C312	1.290 (16)	C13A—H13A	0.9900
N305—Zn52	2.076 (19)	C13A—H13B	0.9900
N305—Zn42	2.135 (11)	I411—Zn46	2.492 (5)
N308—C324	1.306 (14)	I412—Zn46	2.571 (8)
N308—C326	1.317 (14)	I305—Zn33	2.547 (9)
N306—C314	1.323 (14)	Zn33—I306	2.554 (9)
N306—C318	1.313 (16)	I402—Zn41	2.547 (7)
N306—Zn33	2.051 (10)	Zn41—I401	2.519 (9)
N307—C319	1.300 (17)	I310—Zn35	2.552 (8)
N307—C323	1.40 (2)	Zn35—I309	2.493 (8)
N307—Zn33	2.077 (12)	I504—Zn52	2.483 (19)
N307—C423	1.40 (3)	Zn52—I503	2.391 (18)
C357—C360	1.503 (15)	I408—Zn44	2.533 (12)
C357—C356	1.339 (17)	Zn44—I407	2.551 (14)
C357—C358	1.397 (15)	I403—Zn42	2.786 (14)
C325—C327	1.488 (14)	I404—Zn42	2.547 (6)
C307—C309	1.487 (11)	I502—Zn51	2.42 (5)
C327—C328	1.357 (16)	I501—Zn51	2.53 (4)
C327—C331	1.374 (15)	I510—Zn55	2.525 (18)
C361—C363	1.490 (15)	I509—Zn55	2.496 (18)
N323—C365	1.254 (18)	I512—Zn56	2.20 (6)
N323—C366	1.30 (2)	Zn56—I511	3.12 (7)
N323—Zn35^v	1.927 (13)	C422—H422	0.9500
N323—Zn55^v	1.86 (7)	C422—C423	1.36 (3)
C306—C303	1.504 (12)	C423—H423	0.9500
C309—C310	1.394 (14)	C3—H3	0.9500
C309—C313	1.378 (14)	C3—C0	1.38 (2)
N317—C348	1.323 (15)	C0—H0	0.9500
N317—C347	1.295 (17)	C14A—H14A	0.9800
N317—Zn35	2.087 (11)	C14A—H14B	0.9800
N317—Zn55	2.21 (7)	C14A—H14C	0.9800
N317—C0	1.29 (3)	C808—H80A	0.9900
C303—C304	1.362 (14)	C808—H80B	0.9900
C303—C302	1.384 (15)	C808—C809	1.543 (13)
C308—C316	1.490 (13)	C808—C807	1.541 (13)
C316—C315	1.360 (14)	C809—H80C	0.9900
C316—C317	1.375 (14)	C809—H80D	0.9900
C324—C321	1.478 (15)	C809—C810	1.538 (13)
C328—H328	0.9500	C810—H81A	0.9900
C328—C329	1.351 (16)	C810—H81B	0.9900
N324—C372	1.37 (2)	C810—C811	1.537 (13)
N324—C368	1.294 (19)	C811—H81C	0.9900
N324—Zn42^vi	2.019 (14)	C811—H81D	0.9900
C321—C320	1.337 (18)	C811—C812	1.541 (13)
C321—C322	1.447 (18)	C812—H81E	0.9900
C321—C422	1.44 (2)	C812—H81F	0.9900
N312—C336	1.367 (19)	C812—C807	1.539 (13)
N312—C332	1.263 (18)	C807—H80E	0.9900
N312—Zn44	2.022 (16)	C807—H80F	0.9900
C363—C364	1.364 (19)	C805—H80G	0.9900
C363—C367	1.356 (19)	C805—H80H	0.9900
C344—C352	1.483 (15)	C805—C804	1.536 (13)
C339—C342	1.482 (14)	C805—C806	1.536 (13)
C339—C340	1.385 (15)	C804—H80I	0.9900
C339—C338	1.354 (17)	C804—H80J	0.9900
C343—C345	1.483 (14)	C804—C803	1.535 (13)
C352—C351	1.408 (15)	C803—H80K	0.9900
C352—C353	1.357 (15)	C803—H80L	0.9900
C326—C334	1.486 (18)	C803—C802	1.536 (13)
C304—H304	0.9500	C802—H80M	0.9900
C304—C305	1.404 (14)	C802—H80N	0.9900
C345—C349	1.351 (15)	C802—C801	1.536 (13)
C345—C346	1.415 (18)	C801—H80O	0.9900
C345—C3	1.42 (3)	C801—H80P	0.9900
C362—C370	1.480 (18)	C801—C806	1.538 (13)
C349—H349	0.9500	C806—H80Q	0.9900
C349—C348	1.380 (16)	C806—H80R	0.9900
C370—C369	1.317 (19)	C4B—C5B	1.3900
C370—C371	1.363 (19)	C4B—C3B	1.3900
C315—H315	0.9500	C4B—C7B	1.491 (18)
C315—C314	1.368 (14)	C5B—C6B	1.3900
C314—H314	0.9500	C5B—C13B	1.508 (16)
C356—H356	0.9500	C6B—H6B	0.9500
C356—C355	1.368 (16)	C6B—C1B	1.3900
C329—H329	0.9500	C1B—H1B	0.9500
C364—H364	0.9500	C1B—C2B	1.3900
C364—C365	1.443 (17)	C2B—H2B	0.9500
C310—H310	0.9500	C2B—C3B	1.3900
C310—C311	1.387 (15)	C3B—H3B	0.9500
C311—H311	0.9500	C7B—C12B	1.3900
C350—H350	0.9500	C7B—C8B	1.3900
C350—C351	1.377 (17)	C12B—C11B	1.3900
C334—C335	1.382 (19)	C12B—O3B	1.377 (19)
C334—C333	1.36 (2)	C11B—H11B	0.9500
C305—H305	0.9500	C11B—C10B	1.3900
C313—H313	0.9500	C10B—H10B	0.9500
C313—C312	1.382 (15)	C10B—C9B	1.3900
C354—H354	0.9500	C9B—H9B	0.9500
C354—C353	1.349 (17)	C9B—C8B	1.3900
C312—H312	0.9500	C8B—O2B	1.346 (19)
C302—H302	0.9500	O3B—C15B	1.442 (19)
C302—C301	1.352 (15)	O2B—C14B	1.428 (19)
C317—H317	0.9500	C15B—H15D	0.9800
C317—C318	1.381 (16)	C15B—H15E	0.9800
C351—H351	0.9500	C15B—H15F	0.9800
O3A—C12A	1.37 (2)	C14B—H14D	0.9800
O3A—C15A	1.430 (14)	C14B—H14E	0.9800
C331—H331	0.9500	C14B—H14F	0.9800
C331—C330	1.391 (17)	O1B—H1BA	0.8400
C301—H301	0.9500	O1B—C13B	1.404 (19)
C353—H353	0.9500	C13B—H13C	0.9900
C355—H355	0.9500	C13B—H13D	0.9900
I311—Zn36—I312	128.8 (5)	C317—C318—H318	119.0
N318—Zn36—I312	100.4 (5)	C334—C335—H335	119.9
N318—Zn36—I311	107.3 (6)	C336—C335—C334	120.3 (13)
N318—Zn36—N319	102.9 (6)	C336—C335—H335	119.9
N319—Zn36—I312	106.2 (5)	C339—C338—C337	119.9 (12)
N319—Zn36—I311	108.3 (5)	C339—C338—H338	120.1
I301—Zn31—I302	123.5 (4)	C337—C338—H338	120.1
N311^i—Zn31—I301	112.2 (5)	N307—C319—C320	122.1 (15)
N311^i—Zn31—I302	107.8 (5)	N307—C319—H319	118.9
N301—Zn31—I301	103.2 (5)	C320—C319—H319	118.9
N301—Zn31—I302	108.8 (5)	C345—C346—H346	121.8
N301—Zn31—N311^i	98.0 (5)	C347—C346—C345	116.3 (12)
I406—Zn43—I405	124.9 (3)	C347—C346—H346	121.8
N306—Zn43—I405	105.7 (4)	N323—C366—H366	118.1
N306—Zn43—I406	104.0 (4)	N323—C366—C367	123.9 (15)
N307—Zn43—I405	107.6 (4)	C367—C366—H366	118.1
N307—Zn43—I406	109.8 (4)	N317—C347—C346	125.8 (12)
N307—Zn43—N306	102.4 (4)	N317—C347—H347	117.1
I409—Zn45—I410	126.7 (4)	C346—C347—H347	117.1
N323^ii—Zn45—I409	109.3 (5)	C13A—O1A—H1A	109.5
N323^ii—Zn45—I410	103.8 (5)	N312—C336—C335	121.4 (14)
N317—Zn45—I409	106.9 (6)	N312—C336—H336	119.3
N317—Zn45—I410	111.4 (5)	C335—C336—H336	119.3
N317—Zn45—N323^ii	93.7 (5)	N324—C372—H372	119.3
I307—Zn34—I308	121.75 (18)	C371—C372—N324	121.4 (15)
N313—Zn34—I308	110.0 (3)	C371—C372—H372	119.3
N313—Zn34—I307	107.0 (3)	N324—C368—C369	123.4 (16)
N313—Zn34—N312	101.9 (5)	N324—C368—H368	118.3
N312—Zn34—I308	105.4 (3)	C369—C368—H368	118.3
N312—Zn34—I307	109.1 (4)	C363—C367—C366	116.8 (16)
I303—Zn32—I304	116.8 (4)	C363—C367—H367	121.6
N305—Zn32—I304	108.2 (6)	C366—C367—H367	121.6
N305—Zn32—I303	115.5 (6)	C370—C371—H371	119.2
N305—Zn32—N324^iii	102.1 (6)	C372—C371—C370	121.7 (16)
N324^iii—Zn32—I304	103.9 (6)	C372—C371—H371	119.2
N324^iii—Zn32—I303	108.7 (6)	C3A—C4A—C5A	120.0
C308—N304—C307	114.6 (8)	C3A—C4A—C7A	118.3 (9)
C306—N302—C308	114.9 (8)	C5A—C4A—C7A	121.6 (9)
C343—N316—C344	114.7 (9)	C4A—C3A—H3A	120.0
C306—N303—C307	114.0 (8)	C4A—C3A—C2A	120.0
C361—N322—C362	115.5 (10)	C2A—C3A—H3A	120.0
C325—N309—C324	113.6 (10)	C3A—C2A—H2A	120.0
C360—N321—C361	113.1 (10)	C1A—C2A—C3A	120.0
C325—N310—C326	114.4 (9)	C1A—C2A—H2A	120.0
C344—N314—C342	115.4 (8)	C2A—C1A—H1AA	120.0
Zn31^iv—N311—Zn51^iv	29.1 (10)	C2A—C1A—C6A	120.0
C329—N311—Zn31^iv	121.1 (9)	C6A—C1A—H1AA	120.0
C329—N311—Zn41^iv	123.1 (9)	C1A—C6A—H6A	120.0
C329—N311—Zn51^iv	150.3 (13)	C1A—C6A—C5A	120.0
C330—N311—Zn31^iv	120.0 (8)	C5A—C6A—H6A	120.0
C330—N311—C329	118.7 (10)	C4A—C5A—C13A	118.4 (8)
C330—N311—Zn41^iv	117.8 (8)	C6A—C5A—C4A	120.0
C330—N311—Zn51^iv	90.9 (12)	C6A—C5A—C13A	121.5 (8)
C343—N315—C342	113.6 (9)	C334—C333—H333	119.6
C350—N318—Zn36	118.2 (8)	C334—C333—C332	120.8 (15)
C350—N318—C354	117.6 (10)	C332—C333—H333	119.6
C350—N318—Zn46	120.8 (8)	N312—C332—C333	122.5 (15)
C350—N318—Zn56	124 (2)	N312—C332—H332	118.7
C354—N318—Zn36	123.6 (8)	C333—C332—H332	118.7
C354—N318—Zn46	121.2 (8)	O3A—C12A—C7A	117.0 (12)
C354—N318—Zn56	118 (2)	O3A—C12A—C11A	122.9 (14)
C360—N320—C362	115.3 (10)	C7A—C12A—C11A	120.0 (13)
C305—N301—Zn31	119.3 (7)	C12A—C7A—C4A	119.4 (12)
C305—N301—C301	119.1 (9)	C8A—C7A—C4A	121.1 (11)
C305—N301—Zn41	120.3 (8)	C8A—C7A—C12A	119.3 (12)
C305—N301—Zn51	101.2 (13)	O2A—C8A—C7A	115.1 (12)
C301—N301—Zn31	121.1 (8)	O2A—C8A—C9A	124.4 (14)
C301—N301—Zn41	120.5 (8)	C7A—C8A—C9A	120.4 (13)
C301—N301—Zn51	136.2 (12)	C8A—C9A—H9A	120.2
C355—N319—Zn36	121.4 (9)	C10A—C9A—C8A	119.7 (14)
C355—N319—C359	117.7 (10)	C10A—C9A—H9A	120.2
C355—N319—Zn46	124.5 (9)	C321—C322—H322	120.6
C355—N319—Zn56	129.6 (19)	C323—C322—C321	118.8 (16)
C359—N319—Zn36	120.8 (8)	C323—C322—H322	120.6
C359—N319—Zn46	117.7 (8)	N307—C323—H323	119.8
C359—N319—Zn56	112.4 (19)	C322—C323—N307	120.3 (14)
C341—N313—Zn34	126.3 (8)	C322—C323—H323	119.8
C341—N313—C337	116.6 (10)	O3A—C15A—H15A	109.5
C341—N313—Zn44	113.1 (9)	O3A—C15A—H15B	109.5
C337—N313—Zn34	117.1 (9)	O3A—C15A—H15C	109.5
C337—N313—Zn44	130.1 (10)	H15A—C15A—H15B	109.5
C311—N305—Zn32	117.4 (9)	H15A—C15A—H15C	109.5
C311—N305—Zn52	95.1 (9)	H15B—C15A—H15C	109.5
C311—N305—Zn42	122.5 (8)	C9A—C10A—H10A	119.7
C312—N305—Zn32	123.6 (9)	C9A—C10A—C11A	120.6 (13)
C312—N305—C311	119.0 (10)	C11A—C10A—H10A	119.7
C312—N305—Zn52	144.6 (10)	C12A—C11A—H11A	120.2
C312—N305—Zn42	118.4 (8)	C10A—C11A—C12A	119.7 (14)
C324—N308—C326	116.0 (9)	C10A—C11A—H11A	120.2
C314—N306—Zn43	122.3 (8)	O1A—C13A—C5A	112.9 (11)
C314—N306—Zn33	122.2 (8)	O1A—C13A—H13A	109.0
C318—N306—Zn43	119.2 (8)	O1A—C13A—H13B	109.0
C318—N306—C314	118.3 (9)	C5A—C13A—H13A	109.0
C318—N306—Zn33	119.1 (8)	C5A—C13A—H13B	109.0
C319—N307—Zn43	123.7 (10)	H13A—C13A—H13B	107.8
C319—N307—C323	118.4 (11)	N318—Zn46—I411	106.8 (4)
C319—N307—Zn33	123.6 (10)	N318—Zn46—I412	109.0 (4)
C319—N307—C423	104.5 (18)	N319—Zn46—N318	100.7 (5)
C323—N307—Zn43	116.9 (8)	N319—Zn46—I411	107.6 (4)
C423—N307—Zn33	119.2 (12)	N319—Zn46—I412	107.1 (4)
C356—C357—C360	123.1 (10)	I411—Zn46—I412	123.4 (3)
C356—C357—C358	117.4 (10)	N306—Zn33—N307	103.1 (5)
C358—C357—C360	119.3 (11)	N306—Zn33—I305	110.7 (4)
N309—C325—C327	114.8 (10)	N306—Zn33—I306	107.0 (5)
N310—C325—N309	126.3 (9)	N307—Zn33—I305	105.6 (5)
N310—C325—C327	118.9 (9)	N307—Zn33—I306	103.9 (5)
N304—C307—C309	116.1 (8)	I305—Zn33—I306	124.4 (4)
N303—C307—N304	125.8 (8)	N311^i—Zn41—N301	102.2 (5)
N303—C307—C309	118.0 (8)	N311^i—Zn41—I402	105.8 (4)
C328—C327—C325	123.6 (9)	N311^i—Zn41—I401	107.3 (5)
C328—C327—C331	117.3 (10)	N301—Zn41—I402	106.4 (5)
C331—C327—C325	119.1 (11)	N301—Zn41—I401	106.5 (5)
N322—C361—N321	125.6 (10)	I401—Zn41—I402	126.2 (4)
N322—C361—C363	118.2 (10)	N323^ii—Zn35—N317	101.8 (5)
N321—C361—C363	116.2 (11)	N323^ii—Zn35—I310	110.6 (5)
C365—N323—Zn45^v	122.8 (12)	N323^ii—Zn35—I309	103.5 (6)
C365—N323—C366	117.5 (13)	N317—Zn35—I310	109.3 (5)
C365—N323—Zn35^v	130.6 (13)	N317—Zn35—I309	101.4 (5)
C365—N323—Zn55^v	105.5 (16)	I309—Zn35—I310	127.3 (3)
C366—N323—Zn45^v	119.4 (10)	N305—Zn52—I504	103.3 (8)
C366—N323—Zn35^v	111.5 (10)	N305—Zn52—I503	123.0 (11)
C366—N323—Zn55^v	136.1 (16)	I503—Zn52—I504	120.1 (9)
N302—C306—N303	126.3 (8)	N313—Zn44—I408	115.1 (6)
N302—C306—C303	116.3 (8)	N313—Zn44—I407	101.9 (6)
N303—C306—C303	117.3 (8)	N312—Zn44—N313	103.2 (6)
C310—C309—C307	121.5 (8)	N312—Zn44—I408	115.0 (6)
C313—C309—C307	121.3 (9)	N312—Zn44—I407	98.4 (6)
C313—C309—C310	117.2 (9)	I408—Zn44—I407	120.5 (5)
C348—N317—Zn45	121.3 (8)	N305—Zn42—I403	98.5 (4)
C348—N317—Zn35	124.1 (8)	N305—Zn42—I404	110.3 (4)
C348—N317—Zn55	137.1 (15)	N324^iii—Zn42—N305	102.6 (5)
C347—N317—Zn45	121.3 (10)	N324^iii—Zn42—I403	108.0 (5)
C347—N317—C348	116.6 (10)	N324^iii—Zn42—I404	110.2 (5)
C0—N317—C348	103 (9)	I404—Zn42—I403	124.6 (3)
C0—N317—Zn35	119.4 (17)	N311^i—Zn51—I502	128.2 (18)
C304—C303—C306	120.2 (8)	N311^i—Zn51—I501	87.6 (14)
C304—C303—C302	119.5 (9)	N301—Zn51—N311^i	87.0 (14)
C302—C303—C306	120.3 (9)	N301—Zn51—I502	128.3 (18)
N304—C308—N302	124.3 (8)	N301—Zn51—I501	86.1 (14)
N304—C308—C316	118.4 (8)	I502—Zn51—I501	125.7 (17)
N302—C308—C316	117.2 (8)	N323^ii—Zn55—N317	99.4 (19)
C315—C316—C308	120.9 (9)	N323^ii—Zn55—C365^ii	28.8 (11)
C315—C316—C317	118.4 (9)	N323^ii—Zn55—I510	109 (3)
C317—C316—C308	120.7 (9)	N323^ii—Zn55—I509	122 (3)
N321—C360—C357	115.5 (10)	N317—Zn55—C365^ii	109.4 (17)
N320—C360—N321	126.0 (10)	N317—Zn55—I510	91 (2)
N320—C360—C357	118.5 (10)	N317—Zn55—I509	125 (4)
N309—C324—C321	116.1 (10)	C365^ii—Zn55—I510	133 (3)
N308—C324—N309	124.6 (10)	I509—Zn55—I510	105.5 (19)
N308—C324—C321	119.2 (9)	N318—Zn56—N319	111 (3)
C327—C328—H328	118.4	N318—Zn56—I512	120 (3)
C329—C328—C327	123.2 (11)	N318—Zn56—I511	105 (3)
C329—C328—H328	118.4	N319—Zn56—I512	123 (3)
C372—N324—Zn32^vi	126.6 (11)	N319—Zn56—I511	93 (2)
C372—N324—Zn42^vi	121.1 (11)	I512—Zn56—I511	96 (2)
C368—N324—Zn32^vi	116.8 (13)	C321—C422—H422	120.1
C368—N324—C372	116.5 (15)	C423—C422—C321	120 (2)
C368—N324—Zn42^vi	122.4 (13)	C423—C422—H422	120.1
C320—C321—C324	123.3 (10)	N307—C423—H423	120.2
C320—C321—C322	116.7 (11)	C422—C423—N307	120 (2)
C320—C321—C422	103.2 (19)	C422—C423—H423	120.2
C322—C321—C324	119.5 (12)	C345—C3—H3	121.8
C422—C321—C324	120.9 (14)	C0—C3—C345	116 (3)
C336—N312—Zn34	123.5 (9)	C0—C3—H3	121.8
C336—N312—Zn44	112.0 (10)	N317—C0—C3	126 (3)
C332—N312—Zn34	117.9 (11)	N317—C0—H0	117.1
C332—N312—C336	118.6 (14)	C3—C0—H0	117.1
C332—N312—Zn44	129.0 (11)	O2A—C14A—H14A	109.5
C364—C363—C361	121.4 (11)	O2A—C14A—H14B	109.5
C367—C363—C361	119.3 (14)	O2A—C14A—H14C	109.5
C367—C363—C364	119.3 (12)	H14A—C14A—H14B	109.5
N316—C344—C352	115.3 (9)	H14A—C14A—H14C	109.5
N314—C344—N316	125.2 (9)	H14B—C14A—H14C	109.5
N314—C344—C352	119.5 (9)	H80A—C808—H80B	108.1
C340—C339—C342	121.8 (11)	C809—C808—H80A	109.5
C338—C339—C342	120.6 (10)	C809—C808—H80B	109.5
C338—C339—C340	117.6 (11)	C807—C808—H80A	109.5
N316—C343—N315	126.2 (9)	C807—C808—H80B	109.5
N316—C343—C345	117.9 (9)	C807—C808—C809	111 (2)
N315—C343—C345	115.8 (9)	C808—C809—H80C	109.5
C351—C352—C344	119.8 (10)	C808—C809—H80D	109.5
C353—C352—C344	123.5 (10)	H80C—C809—H80D	108.1
C353—C352—C351	116.6 (10)	C810—C809—C808	110.8 (18)
N310—C326—C334	118.8 (10)	C810—C809—H80C	109.5
N308—C326—N310	125.2 (11)	C810—C809—H80D	109.5
N308—C326—C334	116.0 (10)	C809—C810—H81A	109.3
C303—C304—H304	120.3	C809—C810—H81B	109.3
C303—C304—C305	119.3 (9)	H81A—C810—H81B	108.0
C305—C304—H304	120.3	C811—C810—C809	111.4 (19)
C349—C345—C343	123.6 (10)	C811—C810—H81A	109.3
C349—C345—C346	117.9 (10)	C811—C810—H81B	109.3
C349—C345—C3	104 (10)	C810—C811—H81C	109.3
C346—C345—C343	118.3 (10)	C810—C811—H81D	109.3
C3—C345—C343	120.2 (19)	C810—C811—C812	111.8 (19)
N322—C362—N320	124.3 (12)	H81C—C811—H81D	107.9
N322—C362—C370	118.1 (10)	C812—C811—H81C	109.3
N320—C362—C370	117.5 (11)	C812—C811—H81D	109.3
N314—C342—N315	124.7 (9)	C811—C812—H81E	109.5
N314—C342—C339	120.9 (9)	C811—C812—H81F	109.5
N315—C342—C339	114.3 (10)	H81E—C812—H81F	108.1
C345—C349—H349	120.2	C807—C812—C811	110.9 (19)
C345—C349—C348	119.5 (11)	C807—C812—H81E	109.5
C348—C349—H349	120.2	C807—C812—H81F	109.5
C369—C370—C362	120.5 (12)	C808—C807—H80E	109.6
C369—C370—C371	118.1 (14)	C808—C807—H80F	109.6
C371—C370—C362	121.4 (13)	C812—C807—C808	110.3 (19)
C316—C315—H315	120.6	C812—C807—H80E	109.6
C316—C315—C314	118.8 (10)	C812—C807—H80F	109.6
C314—C315—H315	120.6	H80E—C807—H80F	108.1
N306—C314—C315	123.1 (10)	H80G—C805—H80H	108.0
N306—C314—H314	118.4	C804—C805—H80G	109.4
C315—C314—H314	118.4	C804—C805—H80H	109.4
C357—C356—H356	120.0	C806—C805—H80G	109.4
C357—C356—C355	120.1 (11)	C806—C805—H80H	109.4
C355—C356—H356	120.0	C806—C805—C804	111 (2)
N311—C329—H329	120.1	C805—C804—H80I	109.4
C328—C329—N311	119.7 (12)	C805—C804—H80J	109.4
C328—C329—H329	120.1	H80I—C804—H80J	108.0
C363—C364—H364	121.3	C803—C804—C805	111.2 (19)
C363—C364—C365	117.5 (12)	C803—C804—H80I	109.4
C365—C364—H364	121.3	C803—C804—H80J	109.4
C309—C310—H310	120.5	C804—C803—H80K	109.3
C311—C310—C309	119.0 (10)	C804—C803—H80L	109.3
C311—C310—H310	120.5	C804—C803—C802	111.6 (19)
N305—C311—C310	122.2 (11)	H80K—C803—H80L	108.0
N305—C311—H311	118.9	C802—C803—H80K	109.3
C310—C311—H311	118.9	C802—C803—H80L	109.3
N318—C350—H350	118.2	C803—C802—H80M	109.3
N318—C350—C351	123.6 (10)	C803—C802—H80N	109.3
C351—C350—H350	118.2	H80M—C802—H80N	108.0
C335—C334—C326	121.0 (11)	C801—C802—C803	111.6 (19)
C333—C334—C326	122.9 (12)	C801—C802—H80M	109.3
C333—C334—C335	116.1 (13)	C801—C802—H80N	109.3
N301—C305—C304	120.4 (10)	C802—C801—H80O	109.4
N301—C305—H305	119.8	C802—C801—H80P	109.4
C304—C305—H305	119.8	C802—C801—C806	111.4 (18)
C309—C313—H313	120.9	H80O—C801—H80P	108.0
C309—C313—C312	118.1 (11)	C806—C801—H80O	109.4
C312—C313—H313	120.9	C806—C801—H80P	109.4
N318—C354—H354	118.9	C805—C806—C801	110.5 (18)
N318—C354—C353	122.1 (11)	C805—C806—H80Q	109.6
C353—C354—H354	118.9	C805—C806—H80R	109.6
N305—C312—C313	124.0 (11)	C801—C806—H80Q	109.6
N305—C312—H312	118.0	C801—C806—H80R	109.6
C313—C312—H312	118.0	H80Q—C806—H80R	108.1
C303—C302—H302	120.6	C5B—C4B—C3B	120.0
C301—C302—C303	118.7 (10)	C5B—C4B—C7B	118.1 (14)
C301—C302—H302	120.6	C3B—C4B—C7B	121.5 (14)
C316—C317—H317	120.5	C4B—C5B—C6B	120.0
C316—C317—C318	119.1 (10)	C4B—C5B—C13B	115.9 (15)
C318—C317—H317	120.5	C6B—C5B—C13B	124.1 (15)
C352—C351—H351	120.8	C5B—C6B—H6B	120.0
C350—C351—C352	118.4 (11)	C1B—C6B—C5B	120.0
C350—C351—H351	120.8	C1B—C6B—H6B	120.0
C12A—O3A—C15A	118.8 (17)	C6B—C1B—H1B	120.0
C327—C331—H331	120.5	C6B—C1B—C2B	120.0
C327—C331—C330	118.9 (13)	C2B—C1B—H1B	120.0
C330—C331—H331	120.5	C1B—C2B—H2B	120.0
N301—C301—C302	122.8 (11)	C3B—C2B—C1B	120.0
N301—C301—H301	118.6	C3B—C2B—H2B	120.0
C302—C301—H301	118.6	C4B—C3B—H3B	120.0
C352—C353—H353	119.2	C2B—C3B—C4B	120.0
C354—C353—C352	121.6 (11)	C2B—C3B—H3B	120.0
C354—C353—H353	119.2	C12B—C7B—C4B	117.9 (14)
N319—C355—C356	123.3 (12)	C12B—C7B—C8B	120.0
N319—C355—H355	118.3	C8B—C7B—C4B	119.9 (14)
C356—C355—H355	118.3	C11B—C12B—C7B	120.0
C321—C320—H320	118.9	O3B—C12B—C7B	120.0 (14)
C321—C320—C319	122.2 (13)	O3B—C12B—C11B	119.8 (14)
C319—C320—H320	118.9	C12B—C11B—H11B	120.0
C357—C358—H358	120.9	C10B—C11B—C12B	120.0
C359—C358—C357	118.3 (13)	C10B—C11B—H11B	120.0
C359—C358—H358	120.9	C11B—C10B—H10B	120.0
N313—C341—H341	118.2	C9B—C10B—C11B	120.0
N313—C341—C340	123.6 (11)	C9B—C10B—H10B	120.0
C340—C341—H341	118.2	C10B—C9B—H9B	120.0
C339—C340—C341	118.7 (12)	C10B—C9B—C8B	120.0
C339—C340—H340	120.7	C8B—C9B—H9B	120.0
C341—C340—H340	120.7	C9B—C8B—C7B	120.0
N313—C337—H337	118.3	O2B—C8B—C7B	119.2 (14)
N313—C337—C338	123.5 (13)	O2B—C8B—C9B	120.8 (14)
C338—C337—H337	118.3	C12B—O3B—C15B	116 (2)
C8A—O2A—C14A	117.7 (17)	C8B—O2B—C14B	119 (3)
N317—C348—C349	123.4 (11)	O3B—C15B—H15D	109.5
N317—C348—H348	118.3	O3B—C15B—H15E	109.5
C349—C348—H348	118.3	O3B—C15B—H15F	109.5
N319—C359—C358	122.0 (12)	H15D—C15B—H15E	109.5
N319—C359—H359	119.0	H15D—C15B—H15F	109.5
C358—C359—H359	119.0	H15E—C15B—H15F	109.5
N311—C330—C331	122.1 (12)	O2B—C14B—H14D	109.5
N311—C330—H330	119.0	O2B—C14B—H14E	109.5
C331—C330—H330	119.0	O2B—C14B—H14F	109.5
C370—C369—H369	120.6	H14D—C14B—H14E	109.5
C370—C369—C368	118.8 (14)	H14D—C14B—H14F	109.5
C368—C369—H369	120.6	H14E—C14B—H14F	109.5
N323—C365—C364	125.0 (16)	C13B—O1B—H1BA	109.5
N323—C365—H365	117.5	C5B—C13B—H13C	108.7
N323—C365—Zn55^v	45.7 (12)	C5B—C13B—H13D	108.7
C364—C365—H365	117.5	O1B—C13B—C5B	114 (2)
C364—C365—Zn55^v	167.5 (15)	O1B—C13B—H13C	108.7
Zn55^v—C365—H365	72.5	O1B—C13B—H13D	108.7
N306—C318—C317	122.1 (11)	H13C—C13B—H13D	107.6
N306—C318—H318	119.0
Zn36—N318—C350—C351	172.0 (14)	C350—N318—C354—C353	1 (2)
Zn36—N318—C354—C353	−170.8 (11)	C350—N318—Zn56—N319	39 (4)
Zn36—N319—C355—C356	172.9 (11)	C350—N318—Zn56—I512	−167 (2)
Zn36—N319—C359—C358	−173.0 (11)	C350—N318—Zn56—I511	−61 (3)
Zn31^iv—N311—C329—C328	172.4 (8)	C334—C335—C336—N312	−5 (3)
Zn31^iv—N311—C330—C331	−172.5 (11)	C334—C333—C332—N312	−1 (4)
Zn31—N301—C305—C304	172.7 (11)	C305—N301—C301—C302	−3 (2)
Zn31—N301—C301—C302	−175.1 (13)	C313—C309—C310—C311	−3 (2)
Zn43—N306—C314—C315	−175.1 (10)	C354—N318—C350—C351	0 (2)
Zn43—N306—C318—C317	177.9 (13)	C354—N318—Zn56—N319	−140 (2)
Zn43—N307—C319—C320	179.4 (11)	C354—N318—Zn56—I512	14 (4)
Zn43—N307—C323—C322	177.8 (19)	C354—N318—Zn56—I511	120.4 (19)
Zn45^v—N323—C365—C364	171.3 (10)	C312—N305—C311—C310	2 (2)
Zn45^v—N323—C366—C367	−172.0 (15)	C302—C303—C304—C305	0 (2)
Zn45—N317—C348—C349	168.1 (12)	C317—C316—C315—C314	−1 (2)
Zn45—N317—C347—C346	−164.5 (19)	C351—C352—C353—C354	1 (2)
Zn34—N313—C341—C340	−179.9 (11)	O3A—C12A—C7A—C4A	3 (2)
Zn34—N313—C337—C338	−178.9 (14)	O3A—C12A—C7A—C8A	179.6 (17)
Zn34—N312—C336—C335	−171.6 (14)	O3A—C12A—C11A—C10A	−178.1 (19)
Zn34—N312—C332—C333	174.9 (19)	C331—C327—C328—C329	1.7 (17)
Zn32—N305—C311—C310	−177.1 (12)	C301—N301—C305—C304	1 (2)
Zn32—N305—C312—C313	−177.7 (12)	C353—C352—C351—C350	−1 (2)
Zn32^vi—N324—C372—C371	−175.2 (13)	C355—N319—C359—C358	9 (2)
Zn32^vi—N324—C368—C369	176.1 (15)	C320—C321—C322—C323	5 (3)
N304—C307—C309—C310	171.2 (11)	C320—C321—C422—C423	−36 (5)
N304—C307—C309—C313	−7.4 (17)	C358—C357—C360—N321	172.5 (10)
N304—C308—C316—C315	172.0 (11)	C358—C357—C360—N320	−8.9 (15)
N304—C308—C316—C317	−4.7 (18)	C358—C357—C356—C355	8.7 (19)
N302—C306—C303—C304	2.5 (16)	C341—N313—C337—C338	3 (2)
N302—C306—C303—C302	−179.5 (12)	C340—C339—C342—N314	−3.6 (19)
N302—C308—C316—C315	−5.9 (16)	C340—C339—C342—N315	171.9 (12)
N302—C308—C316—C317	177.4 (12)	C340—C339—C338—C337	−3 (2)
N316—C344—C352—C351	176.2 (13)	C337—N313—C341—C340	−2 (2)
N316—C344—C352—C353	−0.5 (19)	O2A—C8A—C9A—C10A	−179.8 (19)
N316—C343—C345—C349	−5 (2)	C348—N317—C347—C346	6 (4)
N316—C343—C345—C346	179.7 (19)	C348—N317—C0—C3	36 (29)
N316—C343—C345—C3	130 (17)	C359—N319—C355—C356	−9 (2)
N303—C307—C309—C310	−12.4 (17)	C330—N311—C329—C328	−2.2 (16)
N303—C307—C309—C313	169.0 (11)	C369—C370—C371—C372	2 (3)
N303—C306—C303—C304	−174.9 (11)	C365—N323—C366—C367	1 (3)
N303—C306—C303—C302	3.0 (17)	C318—N306—C314—C315	−1 (2)
N322—C361—C363—C364	−173.6 (10)	C335—C334—C333—C332	2 (3)
N322—C361—C363—C367	6.9 (17)	C338—C339—C342—N314	174.4 (13)
N322—C362—C370—C369	158.3 (13)	C338—C339—C342—N315	−10.1 (18)
N322—C362—C370—C371	−20.6 (18)	C338—C339—C340—C341	4 (2)
N309—C325—C327—C328	10.5 (15)	C319—N307—C323—C322	−13 (3)
N309—C325—C327—C331	−167.9 (11)	C319—N307—C423—C422	43 (5)
N309—C324—C321—C320	21.2 (17)	C346—C345—C349—C348	−4 (3)
N309—C324—C321—C322	−150.1 (15)	C366—N323—C365—C364	−2 (2)
N309—C324—C321—C422	157 (3)	C366—N323—C365—Zn55^v	−171 (3)
N321—C361—C363—C364	5.1 (15)	C347—N317—C348—C349	−2 (3)
N321—C361—C363—C367	−174.5 (13)	C336—N312—C332—C333	−3 (3)
N310—C325—C327—C328	−166.9 (10)	C372—N324—C368—C369	−2 (3)
N310—C325—C327—C331	14.7 (15)	C368—N324—C372—C371	3 (3)
N310—C326—C334—C335	−14 (2)	C367—C363—C364—C365	1.7 (19)
N310—C326—C334—C333	165.9 (17)	C371—C370—C369—C368	−1 (2)
N314—C344—C352—C351	−4.1 (19)	C4A—C3A—C2A—C1A	0.0
N314—C344—C352—C353	179.2 (13)	C4A—C5A—C13A—O1A	159.6 (13)
N315—C343—C345—C349	177.4 (13)	C4A—C7A—C8A—O2A	−4 (3)
N315—C343—C345—C346	2 (2)	C4A—C7A—C8A—C9A	178.0 (16)
N315—C343—C345—C3	−47 (17)	C3A—C4A—C5A—C6A	0.0
N318—C350—C351—C352	0 (3)	C3A—C4A—C5A—C13A	176.0 (15)
N318—C354—C353—C352	−1 (2)	C3A—C4A—C7A—C12A	71.8 (18)
N320—C362—C370—C369	−20.7 (18)	C3A—C4A—C7A—C8A	−104.3 (17)
N320—C362—C370—C371	160.4 (13)	C3A—C2A—C1A—C6A	0.0
N313—C341—C340—C339	−1 (2)	C2A—C1A—C6A—C5A	0.0
N313—C337—C338—C339	−1 (3)	C1A—C6A—C5A—C4A	0.0
N308—C324—C321—C320	−163.3 (12)	C1A—C6A—C5A—C13A	−175.9 (16)
N308—C324—C321—C322	25.4 (19)	C6A—C5A—C13A—O1A	−24 (2)
N308—C324—C321—C422	−28 (3)	C5A—C4A—C3A—C2A	0.0
N308—C326—C334—C335	165.0 (14)	C5A—C4A—C7A—C12A	−110.5 (16)
N308—C326—C334—C333	−15 (2)	C5A—C4A—C7A—C8A	73.4 (19)
C357—C356—C355—N319	0 (2)	C333—C334—C335—C336	1 (3)
C357—C358—C359—N319	0 (2)	C332—N312—C336—C335	6 (3)
C325—N309—C324—N308	−0.2 (15)	C12A—C7A—C8A—O2A	179.8 (17)
C325—N309—C324—C321	175.0 (9)	C12A—C7A—C8A—C9A	2 (3)
C325—N310—C326—N308	−1.4 (17)	C7A—C4A—C3A—C2A	177.7 (12)
C325—N310—C326—C334	177.5 (10)	C7A—C4A—C5A—C6A	−177.6 (12)
C325—C327—C328—C329	−176.7 (10)	C7A—C4A—C5A—C13A	−1.6 (16)
C325—C327—C331—C330	176.8 (12)	C7A—C12A—C11A—C10A	5 (3)
C307—N304—C308—N302	−2.8 (16)	C7A—C8A—C9A—C10A	−2 (3)
C307—N304—C308—C316	179.5 (10)	C8A—C9A—C10A—C11A	4 (3)
C307—N303—C306—N302	−1.5 (16)	C9A—C10A—C11A—C12A	−5 (3)
C307—N303—C306—C303	175.6 (10)	C322—C321—C320—C319	−7 (2)
C307—C309—C310—C311	178.0 (12)	C323—N307—C319—C320	11 (2)
C307—C309—C313—C312	−173.3 (12)	C15A—O3A—C12A—C7A	173.0 (17)
C327—C328—C329—N311	0.3 (17)	C15A—O3A—C12A—C11A	−4 (3)
C327—C331—C330—N311	0 (2)	C11A—C12A—C7A—C4A	−179.4 (17)
C361—N322—C362—N320	−3.0 (16)	C11A—C12A—C7A—C8A	−3 (3)
C361—N322—C362—C370	178.1 (9)	Zn46—N318—C350—C351	173.9 (13)
C361—N321—C360—N320	−2.4 (14)	Zn46—N318—C354—C353	−173.2 (11)
C361—N321—C360—C357	176.0 (8)	Zn46—N319—C355—C356	175.3 (11)
C361—C363—C364—C365	−177.9 (10)	Zn46—N319—C359—C358	−175.1 (11)
C361—C363—C367—C366	177.5 (14)	Zn33—N306—C314—C315	−174.1 (10)
N323—C366—C367—C363	1 (3)	Zn33—N306—C318—C317	176.9 (14)
C306—N302—C308—N304	4.4 (16)	Zn33—N307—C319—C320	177.6 (11)
C306—N302—C308—C316	−177.9 (10)	Zn33—N307—C423—C422	−174 (4)
C306—N303—C307—N304	3.4 (16)	Zn41^iv—N311—C329—C328	170.7 (8)
C306—N303—C307—C309	−172.6 (10)	Zn41^iv—N311—C330—C331	−171.1 (12)
C306—C303—C304—C305	177.6 (12)	Zn41—N301—C305—C304	176.1 (11)
C306—C303—C302—C301	−180.0 (13)	Zn41—N301—C301—C302	−178.6 (13)
C309—C310—C311—N305	−2 (2)	Zn35^v—N323—C365—C364	170.2 (10)
C309—C313—C312—N305	−9 (2)	Zn35^v—N323—C366—C367	−172.1 (16)
C303—C304—C305—N301	1 (2)	Zn35—N317—C348—C349	180.0 (12)
C303—C302—C301—N301	4 (2)	Zn35—N317—C0—C3	179 (21)
C308—N304—C307—N303	−1.4 (16)	Zn52—N305—C311—C310	−167.8 (15)
C308—N304—C307—C309	174.7 (9)	Zn52—N305—C312—C313	165.6 (18)
C308—N302—C306—N303	−2.1 (16)	Zn44—N313—C341—C340	−176.6 (12)
C308—N302—C306—C303	−179.3 (9)	Zn44—N313—C337—C338	176.5 (13)
C308—C316—C315—C314	−178.1 (11)	Zn44—N312—C336—C335	179.8 (16)
C308—C316—C317—C318	−179.5 (14)	Zn44—N312—C332—C333	−175.5 (18)
C316—C315—C314—N306	0 (2)	Zn42—N305—C311—C310	179.4 (11)
C316—C317—C318—N306	−5 (3)	Zn42—N305—C312—C313	−174.2 (12)
C360—N321—C361—N322	3.7 (14)	Zn42^vi—N324—C372—C371	−177.6 (14)
C360—N321—C361—C363	−174.8 (8)	Zn42^vi—N324—C368—C369	178.3 (14)
C360—N320—C362—N322	4.1 (16)	Zn51^iv—N311—C329—C328	173 (2)
C360—N320—C362—C370	−177.0 (9)	Zn51^iv—N311—C330—C331	−175.4 (17)
C360—C357—C356—C355	−176.4 (12)	Zn51—N301—C305—C304	−161.8 (15)
C360—C357—C358—C359	176.3 (11)	Zn51—N301—C301—C302	151.4 (19)
C324—N309—C325—N310	1.5 (15)	Zn55^v—N323—C365—C364	169 (2)
C324—N309—C325—C327	−175.7 (9)	Zn55^v—N323—C366—C367	−166 (3)
C324—N308—C326—N310	2.6 (18)	Zn55—N317—C348—C349	157 (2)
C324—N308—C326—C334	−176.3 (10)	Zn56—N318—C350—C351	−179 (3)
C324—C321—C320—C319	−178.3 (13)	Zn56—N318—C354—C353	180 (2)
C324—C321—C322—C323	176.4 (19)	Zn56—N319—C355—C356	164 (2)
C324—C321—C422—C423	−179 (4)	Zn56—N319—C359—C358	−165 (2)
C328—C327—C331—C330	−1.8 (19)	C422—C321—C320—C319	40 (3)
N324—C372—C371—C370	−3 (3)	C423—N307—C319—C320	−41 (3)
C321—C320—C319—N307	−1 (2)	C3—C345—C349—C348	40 (11)
C321—C322—C323—N307	5 (4)	C0—N317—C348—C349	−40 (12)
C321—C422—C423—N307	−5 (7)	C14A—O2A—C8A—C7A	179 (2)
C363—C364—C365—N323	0.3 (19)	C14A—O2A—C8A—C9A	−4 (3)
C363—C364—C365—Zn55^v	39 (9)	C808—C809—C810—C811	55 (4)
C344—N316—C343—N315	−1.4 (19)	C809—C808—C807—C812	58 (4)
C344—N316—C343—C345	−178.7 (11)	C809—C810—C811—C812	−54 (4)
C344—N314—C342—N315	−0.7 (18)	C810—C811—C812—C807	55 (4)
C344—N314—C342—C339	174.4 (11)	C811—C812—C807—C808	−57 (4)
C344—C352—C351—C350	−177.6 (14)	C807—C808—C809—C810	−57 (5)
C344—C352—C353—C354	178.1 (13)	C805—C804—C803—C802	54 (5)
C343—N316—C344—N314	4.8 (18)	C804—C805—C806—C801	57 (4)
C343—N316—C344—C352	−175.5 (11)	C804—C803—C802—C801	−54 (5)
C343—N315—C342—N314	3.5 (18)	C803—C802—C801—C806	55 (4)
C343—N315—C342—C339	−171.8 (11)	C802—C801—C806—C805	−56 (4)
C343—C345—C349—C348	−179.2 (14)	C806—C805—C804—C803	−56 (5)
C343—C345—C346—C347	−177.7 (17)	C4B—C5B—C6B—C1B	0.0
C343—C345—C3—C0	175 (17)	C4B—C5B—C13B—O1B	−167 (4)
C326—N310—C325—N309	−0.8 (15)	C4B—C7B—C12B—C11B	163 (2)
C326—N310—C325—C327	176.3 (10)	C4B—C7B—C12B—O3B	−12 (3)
C326—N308—C324—N309	−1.7 (17)	C4B—C7B—C8B—C9B	−163 (2)
C326—N308—C324—C321	−176.8 (10)	C4B—C7B—C8B—O2B	18 (3)
C326—C334—C335—C336	−178.7 (16)	C5B—C4B—C3B—C2B	0.0
C326—C334—C333—C332	−178.3 (19)	C5B—C4B—C7B—C12B	−85 (3)
C304—C303—C302—C301	−2 (2)	C5B—C4B—C7B—C8B	78 (3)
C345—C349—C348—N317	2 (2)	C5B—C6B—C1B—C2B	0.0
C345—C346—C347—N317	−8 (4)	C6B—C5B—C13B—O1B	15 (5)
C345—C3—C0—N317	4 (38)	C6B—C1B—C2B—C3B	0.0
C362—N322—C361—N321	−1.2 (15)	C1B—C2B—C3B—C4B	0.0
C362—N322—C361—C363	177.3 (9)	C3B—C4B—C5B—C6B	0.0
C362—N320—C360—N321	−1.2 (15)	C3B—C4B—C5B—C13B	−178 (2)
C362—N320—C360—C357	−179.5 (9)	C3B—C4B—C7B—C12B	103 (2)
C362—C370—C369—C368	180.0 (14)	C3B—C4B—C7B—C8B	−94 (3)
C362—C370—C371—C372	−179.2 (15)	C7B—C4B—C5B—C6B	−173 (3)
C342—N314—C344—N316	−3.8 (18)	C7B—C4B—C5B—C13B	9 (3)
C342—N314—C344—C352	176.5 (11)	C7B—C4B—C3B—C2B	173 (3)
C342—N315—C343—N316	−2.4 (19)	C7B—C12B—C11B—C10B	0.0
C342—N315—C343—C345	174.9 (11)	C7B—C12B—O3B—C15B	177 (4)
C342—C339—C340—C341	−178.3 (13)	C7B—C8B—O2B—C14B	−169 (4)
C342—C339—C338—C337	179.2 (14)	C12B—C7B—C8B—C9B	0.0
C349—C345—C346—C347	7 (3)	C12B—C7B—C8B—O2B	−179 (2)
C349—C345—C3—C0	−42 (25)	C12B—C11B—C10B—C9B	0.0
C370—C369—C368—N324	1 (3)	C11B—C12B—O3B—C15B	2 (5)
C315—C316—C317—C318	4 (2)	C11B—C10B—C9B—C8B	0.0
C314—N306—C318—C317	3 (2)	C10B—C9B—C8B—C7B	0.0
C356—C357—C360—N321	−2.3 (15)	C10B—C9B—C8B—O2B	179 (2)
C356—C357—C360—N320	176.2 (11)	C9B—C8B—O2B—C14B	12 (5)
C356—C357—C358—C359	−8.5 (19)	C8B—C7B—C12B—C11B	0.0
C329—N311—C330—C331	2 (2)	C8B—C7B—C12B—O3B	−175 (3)
C364—C363—C367—C366	−2 (2)	O3B—C12B—C11B—C10B	175 (3)
C310—C309—C313—C312	8.1 (19)	C13B—C5B—C6B—C1B	178 (3)
C311—N305—C312—C313	3 (2)

Symmetry codes: (i) x−1/2, −y+2, z−1/2; (ii) x−1/2, −y+1, z−1/2; (iii) x, y+1, z−1; (iv) x+1/2, −y+2, z+1/2; (v) x+1/2, −y+1, z+1/2; (vi) x, y−1, z+1.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (50_1_96b)

Crystal data

C72H48I12N24Zn6·0.66(C15H16O3)·0.357(C6H12)	F(000) = 6268
Mr = 3355.66	Dx = 1.397 Mg m^−3
Monoclinic, P2/n	Cu Kα radiation, λ = 1.54184 Å
a = 31.5527 (6) Å	Cell parameters from 13588 reflections
b = 14.9736 (2) Å	θ = 3.2–71.1°
c = 34.5612 (6) Å	µ = 19.51 mm^−1
β = 102.244 (2)°	T = 100 K
V = 15957.3 (5) Å^3	Block, light yellow
Z = 4	0.14 × 0.12 × 0.06 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	29111 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	19903 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.037
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 1.7°
profile data from ω–scans	h = −37→38
Absorption correction: analytical CrysAlisPro 1.171.41.89a (Rigaku Oxford Diffraction, 2020) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −16→18
Tmin = 0.192, Tmax = 0.420	l = −38→41
106916 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.080	H-atom parameters constrained
wR(F^2) = 0.273	w = 1/[σ^2(Fo^2) + (0.1512P)^2 + 45.2784P] where P = (Fo^2 + 2Fc^2)/3
S = 1.04	(Δ/σ)max = 0.005
29111 reflections	Δρmax = 1.33 e Å^−3
1458 parameters	Δρmin = −0.79 e Å^−3
471 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). Exchange site B was located over a two-fold symmetry axis and was modelled in PART -1. Multiple solvent molecules were located over two-fold symmetry sites or were determined to have a low occupancy, these were modelled isotropic to prevent over-expansion of thermal ellipsoids. During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I312	0.58855 (10)	0.0029 (3)	0.35054 (17)	0.0790 (13)	0.51 (2)
I308	0.70545 (5)	0.98166 (13)	0.51231 (7)	0.0840 (6)	0.687 (9)
I301	0.87775 (9)	0.60933 (17)	1.23267 (8)	0.1106 (7)	0.7033
I311	0.48717 (12)	0.1643 (4)	0.39474 (16)	0.0946 (15)	0.51 (2)
I306	0.5987 (3)	0.5075 (3)	0.8660 (2)	0.1268 (18)	0.59 (3)
I302	0.93645 (10)	0.52621 (17)	1.13177 (11)	0.1318 (12)	0.7033
I409	0.86073 (19)	0.1006 (4)	0.7261 (2)	0.0903 (18)	0.390 (19)
I307	0.80265 (6)	0.90529 (12)	0.61889 (6)	0.1011 (8)	0.687 (9)
I410	0.93389 (17)	0.0030 (3)	0.63706 (14)	0.0918 (18)	0.390 (19)
I304	0.67017 (8)	1.46399 (9)	0.99363 (4)	0.1052 (6)	0.660 (2)
I305	0.49550 (12)	0.6727 (6)	0.89747 (18)	0.129 (2)	0.59 (3)
I303	0.77635 (5)	1.46015 (7)	1.09868 (5)	0.0993 (5)	0.660 (2)
Zn36	0.5556 (3)	0.1493 (8)	0.3680 (3)	0.0615 (14)	0.51 (2)
Zn31	0.90992 (13)	0.6453 (3)	1.17302 (13)	0.0731 (7)	0.7033
Zn33	0.5666 (3)	0.6549 (6)	0.8791 (3)	0.110 (4)	0.59 (3)
Zn45	0.8963 (4)	0.1176 (7)	0.6685 (4)	0.0677 (18)	0.390 (19)
Zn34	0.72904 (12)	0.8864 (3)	0.57360 (14)	0.0726 (8)	0.687 (9)
Zn32	0.70358 (11)	1.40336 (12)	1.06108 (8)	0.0725 (6)	0.660 (2)
N302	0.7290 (2)	0.8084 (4)	1.0358 (2)	0.0632 (17)
N316	0.7260 (2)	0.2980 (4)	0.5228 (2)	0.0685 (19)
N304	0.6898 (2)	0.9430 (4)	1.0195 (2)	0.0650 (18)
N321	0.5202 (2)	0.4823 (4)	0.2221 (2)	0.0686 (19)
N309	0.5351 (2)	0.9759 (5)	0.7268 (2)	0.0678 (18)
N303	0.7493 (2)	0.9389 (4)	1.0742 (2)	0.0641 (18)
N311	0.4562 (3)	1.2588 (5)	0.6845 (3)	0.075 (2)
N314	0.6903 (2)	0.4368 (4)	0.5072 (2)	0.074 (2)
N315	0.7483 (2)	0.4251 (4)	0.5629 (2)	0.074 (2)
N310	0.5665 (3)	1.0240 (5)	0.6745 (2)	0.0699 (19)
N322	0.5515 (3)	0.5325 (5)	0.1704 (3)	0.080 (2)
N313	0.7220 (3)	0.7518 (5)	0.5591 (3)	0.083 (2)
N307	0.5644 (3)	0.7345 (5)	0.8291 (2)	0.080 (2)
N301	0.8598 (2)	0.7131 (5)	1.1349 (3)	0.088 (3)
C325	0.5396 (3)	1.0328 (5)	0.6981 (2)	0.062 (2)
N320	0.5764 (3)	0.3997 (5)	0.2038 (2)	0.076 (2)
N308	0.5922 (3)	0.8926 (5)	0.7098 (2)	0.082 (2)
N305	0.7113 (4)	1.2634 (5)	1.0595 (3)	0.096 (3)
N319	0.5491 (3)	0.2334 (6)	0.3220 (2)	0.079 (2)
N306	0.6115 (3)	0.7206 (5)	0.9213 (2)	0.087 (3)
N318	0.6039 (3)	0.2189 (5)	0.4105 (2)	0.081 (2)
N317	0.8537 (3)	0.1938 (5)	0.6264 (3)	0.091 (3)
C357	0.5469 (3)	0.3489 (6)	0.2589 (3)	0.072 (2)
C361	0.5251 (3)	0.5404 (6)	0.1941 (3)	0.072 (2)
C308	0.6963 (3)	0.8562 (5)	1.0148 (3)	0.064 (2)
C327	0.5117 (3)	1.1129 (6)	0.6938 (3)	0.066 (2)
C344	0.6949 (3)	0.3496 (6)	0.5013 (3)	0.073 (2)
C324	0.5633 (3)	0.9069 (6)	0.7312 (3)	0.070 (2)
N323	0.4442 (3)	0.7717 (6)	0.1816 (3)	0.090 (3)
C306	0.7537 (3)	0.8526 (5)	1.0657 (3)	0.064 (2)
C363	0.4974 (3)	0.6217 (6)	0.1904 (3)	0.078 (3)
C343	0.7512 (3)	0.3387 (5)	0.5529 (3)	0.069 (2)
C307	0.7177 (3)	0.9807 (5)	1.0494 (2)	0.062 (2)
C303	0.7905 (3)	0.8039 (5)	1.0899 (3)	0.069 (2)
C316	0.6662 (3)	0.8089 (5)	0.9819 (3)	0.070 (2)
C321	0.5634 (4)	0.8459 (6)	0.7647 (3)	0.074 (2)
C309	0.7141 (3)	1.0790 (5)	1.0542 (3)	0.069 (2)
N312	0.6806 (3)	0.9046 (5)	0.6060 (3)	0.089 (2)
C349	0.7935 (3)	0.1976 (6)	0.5721 (3)	0.076 (3)
H349	0.774797	0.166767	0.551180	0.092*
C352	0.6641 (3)	0.3040 (5)	0.4692 (3)	0.074 (3)
C360	0.5484 (3)	0.4131 (5)	0.2262 (3)	0.068 (2)
C328	0.4889 (3)	1.1359 (6)	0.7217 (3)	0.075 (3)
H328	0.492169	1.101169	0.745188	0.091*
N324	0.6632 (5)	0.4202 (6)	0.0988 (3)	0.112 (4)
C326	0.5923 (3)	0.9522 (6)	0.6815 (3)	0.075 (2)
C364	0.4719 (4)	0.6412 (7)	0.2169 (3)	0.087 (3)
H364	0.472071	0.603617	0.239111	0.104*
C304	0.7985 (3)	0.7158 (6)	1.0816 (3)	0.078 (3)
H304	0.779784	0.685391	1.060532	0.094*
C345	0.7869 (3)	0.2874 (5)	0.5785 (3)	0.074 (3)
C342	0.7182 (3)	0.4710 (5)	0.5382 (3)	0.069 (2)
C334	0.6234 (4)	0.9360 (7)	0.6546 (3)	0.082 (3)
C339	0.7180 (3)	0.5679 (6)	0.5450 (3)	0.074 (2)
C310	0.7377 (4)	1.1237 (6)	1.0864 (3)	0.084 (3)
H310	0.755650	1.091364	1.107236	0.100*
C329	0.4615 (3)	1.2081 (6)	0.7168 (3)	0.077 (3)
H329	0.445943	1.222067	0.736717	0.093*
C315	0.6739 (3)	0.7219 (5)	0.9730 (3)	0.078 (3)
H315	0.698171	0.690879	0.988013	0.094*
C356	0.5191 (4)	0.3570 (7)	0.2832 (3)	0.082 (3)
H356	0.497864	0.402906	0.278629	0.099*
C362	0.5762 (4)	0.4602 (6)	0.1755 (3)	0.081 (3)
C302	0.8179 (4)	0.8445 (6)	1.1216 (3)	0.094 (4)
H302	0.813400	0.904899	1.128162	0.112*
C313	0.6877 (4)	1.1300 (6)	1.0253 (3)	0.089 (3)
H313	0.669252	1.102228	1.003260	0.106*
C312	0.6888 (5)	1.2214 (7)	1.0290 (3)	0.098 (4)
H312	0.672124	1.255927	1.008066	0.118*
C337	0.7455 (4)	0.6960 (7)	0.5846 (4)	0.101 (4)
H337	0.763927	0.719359	0.607756	0.121*
C354	0.6385 (3)	0.1747 (6)	0.4322 (3)	0.086 (3)
H354	0.642495	0.113393	0.426832	0.103*
C314	0.6465 (4)	0.6803 (6)	0.9425 (3)	0.082 (3)
H314	0.652634	0.620622	0.936184	0.099*
C355	0.5211 (4)	0.3001 (7)	0.3144 (3)	0.084 (3)
H355	0.501396	0.308782	0.331454	0.101*
C305	0.8339 (3)	0.6728 (6)	1.1040 (4)	0.091 (3)
H305	0.840042	0.613178	1.097564	0.109*
C370	0.6066 (4)	0.4474 (7)	0.1482 (3)	0.089 (3)
C365	0.4457 (4)	0.7177 (6)	0.2106 (4)	0.088 (3)
H365	0.427863	0.730192	0.228951	0.106*
C317	0.6301 (4)	0.8512 (6)	0.9599 (3)	0.100 (4)
H317	0.623500	0.911183	0.965373	0.120*
C311	0.7354 (4)	1.2166 (6)	1.0884 (4)	0.098 (4)
H311	0.751437	1.246781	1.110962	0.117*
C320	0.5302 (4)	0.8388 (7)	0.7825 (4)	0.095 (4)
H320	0.504857	0.872869	0.772615	0.114*
C351	0.6296 (3)	0.3510 (6)	0.4458 (4)	0.096 (4)
H351	0.625965	0.413133	0.449547	0.115*
C338	0.7440 (4)	0.6041 (7)	0.5786 (4)	0.096 (3)
H338	0.760915	0.565875	0.597754	0.115*
C353	0.6675 (3)	0.2156 (6)	0.4611 (3)	0.084 (3)
H353	0.690726	0.181862	0.476184	0.100*
C331	0.5072 (4)	1.1657 (7)	0.6617 (4)	0.087 (3)
H331	0.523076	1.152833	0.641909	0.105*
C301	0.8509 (4)	0.7969 (6)	1.1432 (4)	0.098 (4)
H301	0.868835	0.824690	1.165515	0.117*
C341	0.6964 (4)	0.7183 (7)	0.5277 (4)	0.090 (3)
H341	0.679220	0.758658	0.509692	0.108*
C319	0.5309 (4)	0.7848 (8)	0.8146 (3)	0.096 (3)
H319	0.506435	0.783705	0.826536	0.116*
C350	0.6014 (4)	0.3051 (6)	0.4174 (4)	0.102 (4)
H350	0.578269	0.337617	0.401525	0.122*
C318	0.6045 (4)	0.8049 (6)	0.9303 (4)	0.112 (5)
H318	0.579974	0.834448	0.914910	0.134*
C340	0.6927 (4)	0.6276 (6)	0.5189 (4)	0.095 (3)
H340	0.673353	0.606820	0.495683	0.114*
O3A	0.2540 (4)	0.9708 (8)	0.6844 (4)	0.086 (3)	0.505
C330	0.4793 (4)	1.2398 (8)	0.6574 (4)	0.096 (3)
H330	0.476789	1.277063	0.634796	0.115*
C335	0.6188 (4)	0.9783 (8)	0.6189 (4)	0.101 (4)
H335	0.595917	1.020106	0.610964	0.122*
C358	0.5707 (4)	0.2724 (8)	0.2621 (4)	0.104 (4)
H358	0.586922	0.257329	0.242749	0.125*
C348	0.8273 (3)	0.1532 (6)	0.5963 (3)	0.088 (3)
H348	0.831931	0.091974	0.591372	0.106*
C359	0.5708 (4)	0.2159 (9)	0.2949 (5)	0.112 (4)
H359	0.587520	0.162586	0.297231	0.135*
O2A	0.3906 (4)	0.9285 (9)	0.7670 (4)	0.079 (3)	0.505
C347	0.8476 (4)	0.2793 (7)	0.6316 (4)	0.121 (5)
H347	0.867175	0.308868	0.652336	0.145*
C367	0.4985 (5)	0.6793 (9)	0.1608 (4)	0.110 (4)
H367	0.517454	0.670661	0.143095	0.132*
C369	0.6419 (6)	0.3921 (10)	0.1595 (4)	0.124 (5)
H369	0.647405	0.362987	0.184466	0.149*
C346	0.8151 (5)	0.3284 (7)	0.6093 (5)	0.139 (7)
H346	0.811913	0.389933	0.614784	0.167*
C366	0.4694 (6)	0.7557 (9)	0.1573 (5)	0.132 (6)
H366	0.468836	0.796055	0.135948	0.158*
C336	0.6467 (5)	0.9610 (9)	0.5945 (4)	0.112 (4)
H336	0.642274	0.988756	0.569210	0.134*
C332	0.6852 (6)	0.8635 (10)	0.6382 (4)	0.121 (5)
H332	0.708536	0.822441	0.645045	0.145*
C333	0.6573 (5)	0.8750 (10)	0.6650 (4)	0.122 (5)
H333	0.661552	0.842500	0.689073	0.147*
C372	0.6281 (6)	0.4731 (9)	0.0884 (5)	0.128 (6)
H372	0.622386	0.501282	0.063215	0.153*
C371	0.6013 (6)	0.4868 (9)	0.1127 (4)	0.122 (5)
H371	0.577417	0.525992	0.104535	0.146*
C368	0.6698 (6)	0.3798 (9)	0.1327 (5)	0.120 (5)
H368	0.693957	0.340869	0.139869	0.145*
C4A	0.3197 (3)	0.8555 (5)	0.7166 (3)	0.064 (3)	0.505
C5A	0.3137 (4)	0.7926 (7)	0.7446 (2)	0.075 (3)	0.505
C6A	0.3123 (4)	0.7022 (6)	0.7351 (3)	0.078 (4)	0.505
H6A	0.308178	0.659204	0.754206	0.094*	0.505
C1A	0.3168 (4)	0.6748 (5)	0.6978 (4)	0.081 (4)	0.505
H1A	0.315796	0.613094	0.691347	0.097*	0.505
C2A	0.3228 (3)	0.7378 (7)	0.6699 (3)	0.070 (4)	0.505
H2A	0.325869	0.719079	0.644361	0.085*	0.505
C3A	0.3242 (3)	0.8281 (6)	0.6793 (3)	0.063 (3)	0.505
H3A	0.328325	0.871176	0.660232	0.076*	0.505
O1A	0.2909 (4)	0.7620 (9)	0.8059 (3)	0.087 (4)	0.505
H1AA	0.296283	0.775929	0.830019	0.130*	0.505
C7A	0.3223 (5)	0.9544 (9)	0.7263 (5)	0.068 (3)	0.505
C12A	0.2892 (5)	1.0111 (8)	0.7086 (4)	0.077 (4)	0.505
C322	0.6016 (6)	0.7975 (14)	0.7821 (6)	0.112 (5)	0.687 (16)
H322	0.626535	0.799519	0.770878	0.134*	0.687 (16)
C9A	0.3628 (6)	1.0797 (9)	0.7581 (6)	0.090 (5)	0.505
H9A	0.388223	1.103297	0.774732	0.108*	0.505
C323	0.6016 (6)	0.7483 (14)	0.8155 (6)	0.112 (5)	0.687 (16)
H323	0.627988	0.722987	0.829568	0.134*	0.687 (16)
C8A	0.3588 (5)	0.9890 (9)	0.7510 (5)	0.076 (4)	0.505
C10A	0.3296 (6)	1.1351 (10)	0.7409 (5)	0.095 (5)	0.505
H10A	0.332234	1.197582	0.745602	0.114*	0.505
C11A	0.2927 (6)	1.1018 (9)	0.7169 (5)	0.091 (5)	0.505
H11A	0.269477	1.140813	0.705997	0.110*	0.505
C15A	0.2154 (7)	1.0211 (18)	0.6690 (7)	0.111 (8)	0.505
H15A	0.202850	1.001235	0.641984	0.166*	0.505
H15B	0.222539	1.084744	0.668742	0.166*	0.505
H15C	0.194309	1.011635	0.685781	0.166*	0.505
C13A	0.3108 (7)	0.8243 (10)	0.7846 (5)	0.087 (5)	0.505
H13A	0.340430	0.837319	0.799929	0.105*	0.505
H13B	0.294123	0.880716	0.781988	0.105*	0.505
I412	0.5879 (2)	0.0140 (4)	0.3596 (3)	0.144 (3)	0.49 (2)
Zn46	0.5561 (4)	0.1606 (10)	0.3744 (4)	0.096 (4)	0.49 (2)
I411	0.4869 (2)	0.1748 (7)	0.3996 (3)	0.168 (3)	0.49 (2)
I310	0.9393 (2)	0.0178 (5)	0.6246 (4)	0.180 (3)	0.610 (19)
Zn35	0.9044 (4)	0.1315 (6)	0.6652 (4)	0.114 (3)	0.610 (19)
I309	0.8715 (3)	0.0979 (4)	0.7232 (2)	0.172 (2)	0.610 (19)
I403	0.80295 (12)	1.4236 (3)	1.12102 (16)	0.1385 (16)	0.308 (2)
Zn42	0.7290 (2)	1.3956 (3)	1.0767 (2)	0.0924 (17)	0.308 (2)
I504	0.7031 (2)	1.4810 (2)	1.01388 (17)	0.1379 (18)	0.308 (2)
Zn43	0.5684 (4)	0.6532 (9)	0.8764 (4)	0.081 (4)	0.41 (3)
I405	0.4963 (3)	0.6560 (11)	0.9016 (3)	0.219 (7)	0.41 (3)
I406	0.6079 (7)	0.5137 (7)	0.8577 (6)	0.157 (4)	0.41 (3)
I402	0.9429 (3)	0.5296 (5)	1.1227 (4)	0.168 (4)	0.2967
Zn41	0.9098 (5)	0.6291 (9)	1.1661 (5)	0.162 (8)	0.2967
I401	0.8865 (2)	0.6017 (5)	1.2288 (3)	0.208 (5)	0.2967
I408	0.6844 (7)	0.9690 (5)	0.4980 (4)	0.203 (6)	0.313 (9)
Zn44	0.7139 (7)	0.8922 (8)	0.5628 (6)	0.166 (7)	0.313 (9)
I407	0.7888 (6)	0.9322 (8)	0.6048 (6)	0.265 (6)	0.313 (9)
C14A	0.4295 (6)	0.958 (2)	0.7930 (9)	0.128 (9)	0.505
H14A	0.448799	0.984976	0.777391	0.192*	0.505
H14B	0.444045	0.907149	0.807921	0.192*	0.505
H14C	0.422362	1.002631	0.811378	0.192*	0.505
I503	0.7600 (7)	1.4686 (15)	1.0700 (7)	0.080*	0.0325 (12)
I1	0.6389 (8)	1.4310 (15)	0.9787 (7)	0.080*	0.0325 (12)
Zn52	0.6797 (17)	1.400 (3)	1.0416 (15)	0.080*	0.0325 (12)
C422	0.5771 (14)	0.7557 (16)	0.7647 (9)	0.112 (5)	0.313 (16)
H422	0.586150	0.732303	0.742217	0.134*	0.313 (16)
C423	0.5774 (14)	0.7019 (19)	0.7969 (8)	0.112 (5)	0.313 (16)
H423	0.586749	0.641625	0.796583	0.134*	0.313 (16)
C7B	0.7256 (8)	0.6641 (15)	0.7721 (8)	0.080*	0.1554
C12B	0.6853 (8)	0.6292 (18)	0.7543 (8)	0.080*	0.1554
C11B	0.6717 (9)	0.549 (2)	0.7675 (10)	0.080*	0.1554
H11B	0.644143	0.524767	0.755376	0.096*	0.1554
C10B	0.6982 (11)	0.5029 (18)	0.7984 (11)	0.080*	0.1554
H10B	0.688869	0.447875	0.807417	0.096*	0.1554
C9B	0.7385 (10)	0.538 (2)	0.8162 (9)	0.080*	0.1554
H9B	0.756636	0.506613	0.837300	0.096*	0.1554
C8B	0.7522 (7)	0.6184 (19)	0.8030 (8)	0.080*	0.1554
O2B	0.7900 (10)	0.662 (2)	0.8190 (10)	0.080*	0.1554
O3B	0.6618 (10)	0.677 (2)	0.7230 (9)	0.080*	0.1554
C810	0.599 (2)	0.560 (4)	0.718 (3)	0.18 (3)	0.1626
H81A	0.608470	0.620875	0.711927	0.210*	0.1626
H81B	0.580840	0.565127	0.737491	0.210*	0.1626
C811	0.639 (2)	0.503 (5)	0.735 (2)	0.18 (3)	0.1626
H81C	0.659289	0.504919	0.716153	0.212*	0.1626
H81D	0.654275	0.528686	0.760127	0.212*	0.1626
C812	0.627 (2)	0.406 (5)	0.741 (2)	0.17 (3)	0.1626
H81E	0.610787	0.403130	0.762292	0.206*	0.1626
H81F	0.653855	0.370276	0.749033	0.206*	0.1626
C807	0.599 (2)	0.365 (4)	0.703 (2)	0.17 (3)	0.1626
H80A	0.617156	0.358343	0.682912	0.208*	0.1626
H80B	0.589612	0.304591	0.709207	0.208*	0.1626
C808	0.560 (2)	0.423 (5)	0.686 (2)	0.18 (3)	0.1626
H80C	0.539609	0.421985	0.704845	0.218*	0.1626
H80D	0.543929	0.396729	0.660835	0.218*	0.1626
C809	0.572 (2)	0.519 (5)	0.679 (2)	0.18 (3)	0.1626
H80E	0.589087	0.521009	0.658388	0.210*	0.1626
H80F	0.545534	0.555426	0.670384	0.210*	0.1626
C805	0.5643 (14)	0.926 (2)	0.5134 (9)	0.080*	0.1939
H80G	0.533362	0.912048	0.512109	0.096*	0.1939
H80H	0.572844	0.975775	0.532168	0.096*	0.1939
C806	0.5923 (14)	0.843 (2)	0.5278 (8)	0.080*	0.1939
H80I	0.623179	0.857084	0.529117	0.096*	0.1939
H80J	0.588902	0.826673	0.554764	0.096*	0.1939
C801	0.5785 (15)	0.7640 (18)	0.4996 (9)	0.080*	0.1939
H80K	0.547557	0.750007	0.498010	0.096*	0.1939
H80L	0.595898	0.710568	0.509612	0.096*	0.1939
C802	0.5859 (14)	0.789 (2)	0.4583 (9)	0.080*	0.1939
H80M	0.617109	0.800702	0.459747	0.096*	0.1939
H80N	0.576780	0.739315	0.439612	0.096*	0.1939
C803	0.5595 (14)	0.873 (2)	0.4433 (8)	0.080*	0.1939
H80O	0.565197	0.890509	0.417152	0.096*	0.1939
H80P	0.528217	0.859972	0.439712	0.096*	0.1939
C804	0.5712 (15)	0.9518 (18)	0.4722 (10)	0.080*	0.1939
H80Q	0.552791	1.003982	0.462262	0.096*	0.1939
H80R	0.601859	0.968976	0.474012	0.096*	0.1939
C15B	0.6203 (12)	0.641 (4)	0.7043 (15)	0.080*	0.1554
H15D	0.603243	0.629257	0.724322	0.120*	0.1554
H15E	0.624469	0.585072	0.690763	0.120*	0.1554
H15F	0.604970	0.684004	0.684919	0.120*	0.1554
C14B	0.8202 (15)	0.616 (4)	0.8495 (15)	0.080*	0.1554
H14D	0.818719	0.552063	0.844067	0.120*	0.1554
H14E	0.812763	0.627603	0.875236	0.120*	0.1554
H14F	0.849628	0.637920	0.850089	0.120*	0.1554
O1B	0.7413 (13)	0.658 (3)	0.6813 (11)	0.080*	0.1554
H1B	0.745258	0.602335	0.680438	0.120*	0.1554
C6B	0.7737 (13)	0.8584 (17)	0.7255 (10)	0.080*	0.1554
H6B	0.790640	0.869377	0.706331	0.096*	0.1554
C1B	0.7603 (15)	0.9292 (14)	0.7460 (12)	0.080*	0.1554
H1BA	0.768116	0.988603	0.740855	0.096*	0.1554
C2B	0.7355 (14)	0.9131 (15)	0.7740 (11)	0.080*	0.1554
H2B	0.726333	0.961488	0.788050	0.096*	0.1554
C3B	0.7240 (12)	0.8262 (17)	0.7816 (10)	0.080*	0.1554
H3B	0.707075	0.815146	0.800722	0.096*	0.1554
C4B	0.7374 (12)	0.7553 (14)	0.7611 (10)	0.080*	0.1554
C5B	0.7622 (11)	0.7714 (15)	0.7330 (9)	0.080*	0.1554
C13B	0.7760 (12)	0.697 (2)	0.7093 (12)	0.080*	0.1554
H13C	0.797778	0.720189	0.694989	0.096*	0.1554
H13D	0.790253	0.649857	0.727666	0.096*	0.1554

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I312	0.090 (2)	0.0418 (11)	0.0895 (18)	−0.0098 (7)	−0.0166 (13)	−0.0112 (10)
I308	0.1032 (13)	0.0469 (6)	0.1087 (11)	0.0167 (5)	0.0379 (7)	0.0153 (6)
I301	0.0964 (17)	0.0842 (10)	0.1415 (14)	0.0068 (9)	0.0033 (11)	0.0453 (9)
I311	0.0793 (19)	0.123 (2)	0.0794 (17)	−0.0304 (14)	0.0121 (11)	−0.0120 (15)
I306	0.189 (3)	0.0491 (10)	0.099 (2)	−0.0228 (17)	−0.066 (2)	−0.0001 (11)
I302	0.1155 (17)	0.0638 (13)	0.1753 (17)	0.0219 (12)	−0.0608 (15)	−0.0523 (11)
I409	0.0684 (19)	0.076 (2)	0.115 (3)	−0.0025 (13)	−0.007 (2)	0.0329 (16)
I307	0.0887 (9)	0.0545 (8)	0.1484 (16)	−0.0008 (6)	−0.0013 (9)	−0.0145 (7)
I410	0.095 (2)	0.0381 (13)	0.118 (3)	0.0032 (10)	−0.0320 (13)	−0.0022 (13)
I304	0.1738 (18)	0.0607 (7)	0.0903 (9)	0.0468 (9)	0.0484 (10)	0.0365 (6)
I305	0.119 (3)	0.176 (3)	0.0877 (19)	−0.072 (3)	0.0132 (13)	−0.0114 (19)
I303	0.1060 (10)	0.0420 (5)	0.1536 (14)	−0.0142 (5)	0.0355 (9)	0.0032 (6)
Zn36	0.073 (3)	0.051 (3)	0.053 (2)	−0.0126 (18)	−0.003 (2)	0.0034 (19)
Zn31	0.0607 (14)	0.0352 (15)	0.1020 (16)	−0.0038 (10)	−0.0307 (13)	0.0066 (12)
Zn33	0.162 (7)	0.062 (4)	0.071 (4)	−0.042 (4)	−0.057 (4)	0.022 (3)
Zn45	0.054 (3)	0.027 (3)	0.103 (3)	−0.014 (2)	−0.027 (2)	0.011 (2)
Zn34	0.0787 (14)	0.0398 (15)	0.0983 (17)	0.0094 (9)	0.0165 (12)	0.0008 (11)
Zn32	0.1033 (19)	0.0314 (8)	0.0857 (15)	0.0100 (11)	0.0268 (14)	0.0120 (9)
N302	0.069 (4)	0.032 (3)	0.075 (4)	0.002 (3)	−0.016 (3)	0.008 (3)
N316	0.066 (4)	0.042 (3)	0.084 (5)	0.001 (3)	−0.014 (3)	0.018 (3)
N304	0.076 (4)	0.034 (3)	0.070 (4)	0.002 (3)	−0.017 (3)	0.010 (3)
N321	0.078 (4)	0.046 (3)	0.069 (4)	0.003 (3)	−0.014 (3)	0.005 (3)
N309	0.076 (4)	0.050 (4)	0.067 (4)	0.000 (3)	−0.010 (3)	0.007 (3)
N303	0.071 (4)	0.032 (3)	0.074 (4)	−0.007 (3)	−0.020 (3)	0.006 (3)
N311	0.074 (5)	0.049 (4)	0.086 (5)	−0.001 (3)	−0.016 (4)	0.001 (4)
N314	0.076 (4)	0.036 (3)	0.094 (5)	0.003 (3)	−0.018 (4)	0.015 (3)
N315	0.071 (4)	0.038 (3)	0.099 (5)	0.000 (3)	−0.014 (4)	0.009 (3)
N310	0.075 (5)	0.060 (4)	0.065 (4)	0.006 (3)	−0.005 (4)	0.007 (3)
N322	0.106 (6)	0.048 (4)	0.076 (5)	−0.004 (4)	−0.006 (5)	0.000 (3)
N313	0.101 (6)	0.044 (4)	0.102 (6)	0.004 (4)	0.019 (5)	0.004 (4)
N307	0.097 (6)	0.059 (4)	0.065 (4)	0.003 (4)	−0.022 (4)	0.010 (3)
N301	0.067 (4)	0.049 (4)	0.120 (6)	−0.014 (3)	−0.043 (4)	0.020 (4)
C325	0.063 (5)	0.049 (4)	0.061 (5)	0.003 (3)	−0.015 (4)	0.005 (4)
N320	0.100 (6)	0.051 (4)	0.072 (5)	0.005 (4)	0.005 (4)	0.000 (3)
N308	0.104 (6)	0.063 (5)	0.072 (5)	0.019 (4)	0.008 (5)	0.011 (4)
N305	0.163 (9)	0.041 (4)	0.087 (6)	−0.004 (5)	0.033 (6)	0.004 (4)
N319	0.096 (6)	0.071 (5)	0.068 (5)	0.006 (4)	0.014 (4)	0.007 (4)
N306	0.119 (6)	0.049 (4)	0.071 (5)	−0.019 (4)	−0.028 (4)	0.014 (3)
N318	0.085 (5)	0.048 (4)	0.092 (5)	−0.006 (3)	−0.022 (4)	0.015 (4)
N317	0.090 (5)	0.050 (4)	0.104 (6)	−0.003 (4)	−0.043 (5)	0.008 (4)
C357	0.093 (6)	0.052 (5)	0.061 (5)	0.008 (4)	−0.007 (5)	−0.003 (4)
C361	0.093 (6)	0.053 (5)	0.059 (5)	−0.001 (4)	−0.005 (5)	0.001 (4)
C308	0.075 (5)	0.034 (3)	0.071 (5)	−0.005 (3)	−0.010 (4)	0.008 (3)
C327	0.061 (5)	0.056 (5)	0.069 (5)	0.005 (4)	−0.011 (4)	0.007 (4)
C344	0.073 (5)	0.047 (4)	0.085 (6)	−0.007 (4)	−0.012 (4)	0.017 (4)
C324	0.085 (6)	0.051 (4)	0.060 (5)	0.015 (4)	−0.014 (4)	0.002 (4)
N323	0.089 (6)	0.055 (5)	0.106 (7)	0.004 (4)	−0.024 (5)	0.000 (5)
C306	0.061 (4)	0.040 (4)	0.079 (5)	−0.004 (3)	−0.010 (4)	0.014 (4)
C363	0.084 (6)	0.049 (5)	0.083 (6)	−0.003 (4)	−0.022 (5)	0.008 (4)
C343	0.074 (5)	0.039 (4)	0.085 (6)	−0.003 (4)	−0.008 (4)	0.010 (4)
C307	0.069 (5)	0.038 (4)	0.069 (5)	−0.001 (3)	−0.011 (4)	0.009 (3)
C303	0.061 (4)	0.040 (4)	0.090 (6)	−0.002 (3)	−0.019 (4)	0.017 (4)
C316	0.073 (5)	0.042 (4)	0.078 (5)	−0.005 (4)	−0.017 (4)	0.012 (4)
C321	0.093 (7)	0.050 (5)	0.071 (5)	0.011 (4)	0.000 (5)	0.011 (4)
C309	0.092 (6)	0.040 (4)	0.068 (5)	−0.004 (4)	0.001 (4)	0.011 (4)
N312	0.116 (7)	0.057 (4)	0.094 (6)	0.020 (4)	0.023 (5)	0.005 (4)
C349	0.081 (6)	0.047 (4)	0.087 (6)	−0.003 (4)	−0.016 (5)	−0.005 (4)
C352	0.073 (5)	0.043 (4)	0.087 (6)	−0.003 (4)	−0.024 (4)	0.017 (4)
C360	0.087 (6)	0.047 (4)	0.062 (5)	−0.001 (4)	−0.003 (4)	−0.004 (4)
C328	0.077 (6)	0.054 (5)	0.081 (6)	0.002 (4)	−0.016 (5)	0.010 (4)
N324	0.196 (12)	0.054 (5)	0.106 (7)	−0.032 (6)	0.076 (8)	−0.014 (5)
C326	0.090 (6)	0.057 (5)	0.070 (5)	0.012 (4)	−0.002 (5)	0.010 (4)
C364	0.112 (8)	0.062 (5)	0.068 (6)	0.008 (5)	−0.020 (6)	0.006 (4)
C304	0.066 (5)	0.045 (4)	0.104 (7)	−0.001 (4)	−0.024 (5)	0.010 (4)
C345	0.070 (5)	0.045 (4)	0.091 (6)	0.001 (4)	−0.021 (4)	0.014 (4)
C342	0.071 (5)	0.042 (4)	0.084 (6)	0.000 (4)	−0.003 (4)	0.009 (4)
C334	0.098 (7)	0.064 (5)	0.080 (6)	0.015 (5)	0.011 (5)	0.010 (5)
C339	0.088 (6)	0.043 (4)	0.086 (6)	0.005 (4)	0.007 (5)	0.012 (4)
C310	0.108 (7)	0.049 (5)	0.079 (6)	−0.015 (5)	−0.015 (5)	0.006 (4)
C329	0.077 (6)	0.061 (5)	0.081 (6)	−0.006 (4)	−0.011 (5)	−0.013 (5)
C315	0.104 (7)	0.042 (4)	0.071 (5)	0.004 (4)	−0.020 (5)	0.010 (4)
C356	0.085 (6)	0.076 (6)	0.077 (6)	0.012 (5)	−0.005 (5)	0.015 (5)
C362	0.116 (8)	0.047 (5)	0.075 (6)	−0.007 (5)	0.010 (5)	−0.005 (4)
C302	0.101 (7)	0.039 (4)	0.110 (8)	−0.002 (4)	−0.047 (6)	0.000 (4)
C313	0.134 (9)	0.042 (4)	0.078 (6)	0.014 (5)	−0.005 (6)	0.005 (4)
C312	0.166 (11)	0.049 (5)	0.076 (6)	0.017 (6)	0.017 (7)	0.010 (5)
C337	0.111 (8)	0.054 (5)	0.126 (9)	−0.003 (5)	−0.002 (7)	−0.003 (6)
C354	0.092 (7)	0.050 (5)	0.098 (7)	0.008 (4)	−0.019 (5)	0.010 (5)
C314	0.105 (7)	0.049 (4)	0.072 (5)	0.002 (4)	−0.027 (5)	0.007 (4)
C355	0.093 (7)	0.071 (6)	0.083 (6)	0.022 (5)	0.005 (5)	0.018 (5)
C305	0.071 (6)	0.052 (5)	0.129 (9)	0.001 (4)	−0.028 (6)	0.000 (5)
C370	0.121 (9)	0.054 (5)	0.094 (7)	0.000 (6)	0.029 (7)	−0.002 (5)
C365	0.093 (7)	0.052 (5)	0.103 (8)	0.008 (5)	−0.016 (6)	−0.002 (5)
C317	0.103 (7)	0.045 (5)	0.117 (8)	0.010 (5)	−0.055 (6)	0.002 (5)
C311	0.136 (10)	0.046 (5)	0.099 (8)	−0.024 (6)	−0.001 (7)	−0.010 (5)
C320	0.091 (7)	0.074 (7)	0.105 (8)	−0.001 (5)	−0.015 (6)	0.036 (6)
C351	0.087 (6)	0.048 (5)	0.128 (9)	0.005 (4)	−0.036 (6)	0.018 (5)
C338	0.115 (8)	0.053 (5)	0.103 (8)	−0.001 (5)	−0.014 (7)	0.005 (5)
C353	0.091 (6)	0.052 (5)	0.089 (6)	0.009 (4)	−0.024 (5)	0.010 (4)
C331	0.087 (6)	0.071 (6)	0.101 (7)	0.020 (5)	0.012 (6)	0.029 (5)
C301	0.094 (7)	0.050 (5)	0.117 (8)	0.003 (5)	−0.049 (6)	0.005 (5)
C341	0.107 (8)	0.050 (5)	0.108 (8)	0.018 (5)	0.010 (7)	0.016 (5)
C319	0.105 (8)	0.085 (7)	0.091 (7)	−0.005 (6)	0.001 (6)	0.019 (6)
C350	0.102 (7)	0.042 (5)	0.129 (9)	0.001 (5)	−0.045 (7)	0.015 (5)
C318	0.122 (9)	0.043 (5)	0.125 (9)	0.002 (5)	−0.074 (7)	0.004 (5)
C340	0.113 (8)	0.043 (5)	0.113 (8)	0.008 (5)	−0.013 (6)	0.012 (5)
O3A	0.121 (8)	0.071 (7)	0.069 (7)	0.041 (6)	0.028 (6)	0.009 (5)
C330	0.104 (8)	0.078 (7)	0.099 (8)	0.022 (6)	0.003 (7)	0.034 (6)
C335	0.111 (9)	0.085 (7)	0.113 (9)	0.035 (7)	0.033 (7)	0.044 (7)
C358	0.111 (9)	0.082 (7)	0.122 (10)	0.026 (7)	0.034 (7)	0.025 (7)
C348	0.079 (6)	0.047 (5)	0.115 (8)	0.010 (4)	−0.032 (5)	−0.004 (5)
C359	0.096 (8)	0.081 (7)	0.153 (12)	0.020 (6)	0.012 (8)	0.047 (8)
O2A	0.083 (7)	0.065 (6)	0.092 (8)	−0.016 (5)	0.023 (6)	−0.016 (6)
C347	0.119 (9)	0.054 (5)	0.141 (10)	0.014 (6)	−0.081 (8)	−0.006 (6)
C367	0.123 (10)	0.089 (8)	0.120 (10)	0.018 (7)	0.029 (8)	0.038 (7)
C369	0.186 (16)	0.098 (9)	0.107 (10)	0.014 (10)	0.073 (11)	0.015 (7)
C346	0.160 (12)	0.042 (5)	0.161 (12)	0.013 (6)	−0.087 (10)	−0.005 (6)
C366	0.155 (14)	0.066 (7)	0.153 (14)	0.016 (8)	−0.014 (11)	0.045 (8)
C336	0.137 (11)	0.103 (9)	0.108 (9)	0.040 (8)	0.054 (8)	0.039 (7)
C332	0.162 (13)	0.101 (9)	0.111 (10)	0.060 (9)	0.053 (10)	0.026 (8)
C333	0.139 (12)	0.120 (11)	0.104 (9)	0.056 (9)	0.015 (8)	0.036 (8)
C372	0.200 (17)	0.081 (8)	0.120 (11)	0.030 (10)	0.073 (12)	0.024 (8)
C371	0.177 (15)	0.100 (9)	0.103 (9)	0.017 (9)	0.066 (10)	0.032 (7)
C368	0.167 (14)	0.079 (8)	0.127 (11)	0.023 (8)	0.058 (11)	0.009 (8)
C4A	0.052 (7)	0.046 (5)	0.089 (7)	0.003 (5)	0.004 (6)	0.004 (5)
C5A	0.060 (8)	0.055 (6)	0.106 (8)	−0.002 (7)	0.006 (7)	0.014 (6)
C6A	0.052 (8)	0.056 (6)	0.120 (10)	0.006 (7)	0.004 (8)	0.020 (7)
C1A	0.057 (8)	0.051 (7)	0.123 (10)	0.006 (7)	−0.009 (8)	0.001 (6)
C2A	0.048 (7)	0.055 (6)	0.098 (9)	0.006 (6)	−0.006 (7)	−0.013 (6)
C3A	0.047 (7)	0.047 (6)	0.086 (7)	0.009 (6)	−0.007 (6)	−0.003 (6)
O1A	0.059 (6)	0.094 (9)	0.098 (9)	0.013 (6)	−0.002 (6)	0.044 (7)
C7A	0.094 (8)	0.045 (6)	0.074 (8)	0.004 (5)	0.036 (6)	0.007 (5)
C12A	0.128 (9)	0.050 (6)	0.062 (8)	0.024 (6)	0.042 (6)	0.016 (6)
C322	0.088 (8)	0.123 (11)	0.120 (10)	0.038 (7)	0.012 (7)	0.071 (9)
C9A	0.130 (12)	0.059 (7)	0.096 (12)	−0.017 (7)	0.058 (9)	−0.013 (7)
C323	0.088 (8)	0.123 (11)	0.120 (10)	0.038 (7)	0.012 (7)	0.071 (9)
C8A	0.101 (8)	0.055 (6)	0.082 (9)	−0.009 (5)	0.041 (6)	−0.006 (6)
C10A	0.160 (14)	0.051 (8)	0.093 (12)	−0.003 (7)	0.071 (9)	0.002 (7)
C11A	0.160 (14)	0.052 (7)	0.074 (10)	0.019 (8)	0.054 (9)	0.014 (7)
C15A	0.127 (13)	0.124 (18)	0.097 (14)	0.065 (13)	0.057 (11)	0.046 (13)
C13A	0.094 (12)	0.063 (9)	0.101 (9)	−0.001 (9)	0.013 (9)	0.021 (7)
I412	0.195 (5)	0.0517 (13)	0.136 (3)	0.0019 (15)	−0.076 (3)	−0.0232 (18)
Zn46	0.116 (5)	0.059 (4)	0.085 (6)	−0.019 (3)	−0.041 (4)	0.012 (4)
I411	0.164 (5)	0.204 (6)	0.127 (4)	−0.081 (4)	0.011 (3)	0.030 (4)
I310	0.141 (2)	0.069 (2)	0.294 (6)	0.0050 (17)	−0.035 (4)	−0.060 (3)
Zn35	0.097 (5)	0.041 (2)	0.164 (5)	−0.017 (2)	−0.064 (3)	0.019 (2)
I309	0.134 (4)	0.138 (3)	0.192 (4)	−0.042 (2)	−0.078 (3)	0.085 (3)
I403	0.105 (2)	0.082 (2)	0.228 (5)	−0.0281 (18)	0.033 (3)	−0.051 (3)
Zn42	0.110 (4)	0.039 (2)	0.130 (5)	−0.002 (3)	0.029 (4)	−0.001 (3)
I504	0.203 (5)	0.0701 (17)	0.163 (4)	0.055 (2)	0.090 (4)	0.048 (2)
Zn43	0.098 (6)	0.066 (6)	0.070 (5)	−0.025 (4)	−0.002 (5)	0.000 (4)
I405	0.267 (12)	0.275 (10)	0.091 (3)	−0.187 (10)	−0.018 (4)	0.032 (4)
I406	0.240 (7)	0.055 (2)	0.138 (5)	0.014 (3)	−0.041 (5)	−0.014 (3)
I402	0.110 (3)	0.071 (3)	0.305 (11)	−0.039 (3)	−0.001 (4)	−0.039 (4)
Zn41	0.126 (7)	0.044 (5)	0.244 (14)	−0.016 (4)	−0.128 (8)	0.006 (5)
I401	0.0538 (18)	0.182 (6)	0.345 (10)	−0.029 (2)	−0.053 (3)	0.206 (6)
I408	0.399 (15)	0.071 (3)	0.191 (8)	0.094 (6)	0.182 (10)	0.060 (4)
Zn44	0.260 (17)	0.043 (3)	0.242 (16)	0.022 (8)	0.155 (13)	0.018 (7)
I407	0.264 (11)	0.094 (5)	0.493 (17)	−0.072 (6)	0.208 (11)	−0.083 (8)
C14A	0.068 (11)	0.13 (2)	0.18 (2)	−0.018 (11)	0.011 (11)	−0.045 (18)
C422	0.088 (8)	0.123 (11)	0.120 (10)	0.038 (7)	0.012 (7)	0.071 (9)
C423	0.088 (8)	0.123 (11)	0.120 (10)	0.038 (7)	0.012 (7)	0.071 (9)
C810	0.13 (4)	0.21 (6)	0.22 (6)	−0.05 (4)	0.11 (4)	−0.06 (5)
C811	0.14 (4)	0.21 (6)	0.22 (6)	−0.06 (4)	0.11 (4)	−0.05 (5)
C812	0.14 (4)	0.21 (6)	0.20 (6)	−0.06 (4)	0.11 (4)	−0.05 (5)
C807	0.14 (4)	0.22 (6)	0.20 (6)	−0.07 (4)	0.11 (4)	−0.04 (5)
C808	0.14 (4)	0.22 (6)	0.21 (6)	−0.06 (4)	0.10 (4)	−0.06 (5)
C809	0.13 (4)	0.21 (6)	0.21 (6)	−0.05 (4)	0.11 (4)	−0.06 (5)

Geometric parameters (Å, º)

I312—Zn36	2.551 (12)	C353—H353	0.9500
I308—Zn34	2.532 (5)	C331—H331	0.9500
I301—Zn31	2.542 (5)	C331—C330	1.406 (15)
I311—Zn36	2.533 (9)	C301—H301	0.9500
I306—Zn33	2.511 (12)	C341—H341	0.9500
I302—Zn31	2.534 (6)	C341—C340	1.392 (14)
I409—Zn45	2.496 (14)	C319—H319	0.9500
I307—Zn34	2.527 (3)	C350—H350	0.9500
I410—Zn45	2.466 (13)	C318—H318	0.9500
I304—Zn32	2.515 (3)	C340—H340	0.9500
I305—Zn33	2.471 (12)	O3A—C12A	1.377 (15)
I303—Zn32	2.533 (4)	O3A—C15A	1.436 (12)
Zn36—N319	2.003 (13)	C330—H330	0.9500
Zn36—N318	2.148 (14)	C335—H335	0.9500
Zn31—N311^i	2.027 (9)	C335—C336	1.368 (17)
Zn31—N301	2.094 (8)	C358—H358	0.9500
Zn33—N307	2.087 (11)	C358—C359	1.415 (17)
Zn33—N306	2.057 (11)	C348—H348	0.9500
Zn45—N317	2.099 (14)	C359—H359	0.9500
Zn45—N323^ii	2.224 (14)	O2A—C8A	1.38 (2)
Zn34—N313	2.078 (9)	O2A—C14A	1.430 (13)
Zn34—N312	2.096 (11)	C347—H347	0.9500
Zn32—N305	2.111 (8)	C347—C346	1.361 (14)
Zn32—N324^iii	2.023 (11)	C367—H367	0.9500
N302—C308	1.338 (10)	C367—C366	1.456 (19)
N302—C306	1.331 (10)	C369—H369	0.9500
N316—C344	1.344 (10)	C369—C368	1.417 (19)
N316—C343	1.315 (11)	C346—H346	0.9500
N304—C308	1.330 (10)	C366—H366	0.9500
N304—C307	1.333 (10)	C336—H336	0.9500
N321—C361	1.333 (12)	C332—H332	0.9500
N321—C360	1.354 (11)	C332—C333	1.414 (19)
N309—C325	1.337 (11)	C333—H333	0.9500
N309—C324	1.352 (11)	C372—H372	0.9500
N303—C306	1.339 (10)	C372—C371	1.326 (19)
N303—C307	1.326 (10)	C371—H371	0.9500
N311—C329	1.331 (13)	C368—H368	0.9500
N311—C330	1.331 (15)	C4A—C5A	1.3900
N311—Zn41^iv	2.230 (15)	C4A—C3A	1.3900
N314—C344	1.334 (11)	C4A—C7A	1.516 (15)
N314—C342	1.336 (11)	C5A—C6A	1.3900
N315—C343	1.348 (11)	C5A—C13A	1.485 (15)
N315—C342	1.327 (11)	C6A—H6A	0.9500
N310—C325	1.302 (12)	C6A—C1A	1.3900
N310—C326	1.340 (12)	C1A—H1A	0.9500
N322—C361	1.293 (13)	C1A—C2A	1.3900
N322—C362	1.323 (13)	C2A—H2A	0.9500
N313—C337	1.323 (14)	C2A—C3A	1.3900
N313—C341	1.306 (14)	C3A—H3A	0.9500
N313—Zn44	2.126 (15)	O1A—H1AA	0.8400
N307—C319	1.309 (14)	O1A—C13A	1.416 (9)
N307—C323	1.367 (18)	C7A—C12A	1.384 (13)
N307—Zn43	2.021 (14)	C7A—C8A	1.382 (14)
N307—C423	1.36 (2)	C12A—C11A	1.387 (13)
N301—C305	1.341 (12)	C322—H322	0.9500
N301—C301	1.330 (13)	C322—C323	1.370 (19)
N301—Zn41	2.124 (15)	C9A—H9A	0.9500
C325—C327	1.478 (11)	C9A—C8A	1.381 (14)
N320—C360	1.309 (13)	C9A—C10A	1.369 (14)
N320—C362	1.332 (12)	C323—H323	0.9500
N308—C324	1.307 (13)	C10A—H10A	0.9500
N308—C326	1.324 (12)	C10A—C11A	1.374 (14)
N305—C312	1.304 (15)	C11A—H11A	0.9500
N305—C311	1.319 (15)	C15A—H15A	0.9800
N305—Zn42	2.107 (10)	C15A—H15B	0.9800
N305—Zn52	2.30 (5)	C15A—H15C	0.9800
N319—C355	1.323 (13)	C13A—H13A	0.9900
N319—C359	1.300 (17)	C13A—H13B	0.9900
N319—Zn46	2.085 (15)	I412—Zn46	2.511 (15)
N306—C314	1.334 (12)	Zn46—I411	2.527 (15)
N306—C318	1.329 (13)	I310—Zn35	2.595 (13)
N306—Zn43	2.092 (15)	Zn35—I309	2.496 (12)
N318—C354	1.360 (12)	I403—Zn42	2.541 (9)
N318—C350	1.319 (12)	Zn42—I504	2.502 (8)
N318—Zn46	1.946 (16)	Zn43—I405	2.604 (15)
N317—C348	1.333 (12)	Zn43—I406	2.584 (18)
N317—C347	1.313 (13)	I402—Zn41	2.49 (2)
N317—Zn35	2.079 (12)	Zn41—I401	2.47 (2)
C357—C360	1.492 (13)	I408—Zn44	2.514 (17)
C357—C356	1.341 (15)	Zn44—I407	2.57 (2)
C357—C358	1.363 (14)	C14A—H14A	0.9800
C361—C363	1.488 (13)	C14A—H14B	0.9800
C308—C316	1.496 (11)	C14A—H14C	0.9800
C327—C328	1.362 (14)	I503—Zn52	2.72 (6)
C327—C331	1.345 (13)	I1—Zn52	2.33 (6)
C344—C352	1.478 (12)	C422—H422	0.9500
C324—C321	1.475 (13)	C422—C423	1.37 (2)
N323—C365	1.281 (15)	C423—H423	0.9500
N323—C366	1.30 (2)	C7B—C12B	1.3900
N323—Zn35^v	1.923 (13)	C7B—C8B	1.3900
C306—C303	1.472 (10)	C7B—C4B	1.487 (18)
C363—C364	1.373 (16)	C12B—C11B	1.3900
C363—C367	1.344 (15)	C12B—O3B	1.375 (18)
C343—C345	1.491 (11)	C11B—H11B	0.9500
C307—C309	1.489 (11)	C11B—C10B	1.3900
C303—C304	1.384 (12)	C10B—H10B	0.9500
C303—C302	1.384 (12)	C10B—C9B	1.3900
C316—C315	1.371 (12)	C9B—H9B	0.9500
C316—C317	1.382 (12)	C9B—C8B	1.3900
C321—C320	1.326 (16)	C8B—O2B	1.374 (19)
C321—C322	1.426 (16)	O2B—C14B	1.44 (2)
C321—C422	1.42 (2)	O3B—C15B	1.436 (19)
C309—C310	1.372 (13)	C810—H81A	0.9900
C309—C313	1.388 (13)	C810—H81B	0.9900
N312—C336	1.355 (15)	C810—C811	1.533 (13)
N312—C332	1.253 (15)	C810—C809	1.535 (13)
N312—Zn44	2.009 (19)	C811—H81C	0.9900
C349—H349	0.9500	C811—H81D	0.9900
C349—C345	1.386 (12)	C811—C812	1.532 (13)
C349—C348	1.378 (12)	C812—H81E	0.9900
C352—C351	1.401 (12)	C812—H81F	0.9900
C352—C353	1.362 (13)	C812—C807	1.534 (13)
C328—H328	0.9500	C807—H80A	0.9900
C328—C329	1.373 (13)	C807—H80B	0.9900
N324—C372	1.35 (2)	C807—C808	1.533 (13)
N324—C368	1.298 (17)	C808—H80C	0.9900
N324—Zn42^vi	2.387 (14)	C808—H80D	0.9900
N324—Zn52^vi	2.17 (5)	C808—C809	1.535 (13)
C326—C334	1.507 (15)	C809—H80E	0.9900
C364—H364	0.9500	C809—H80F	0.9900
C364—C365	1.404 (14)	C805—H80G	0.9900
C304—H304	0.9500	C805—H80H	0.9900
C304—C305	1.377 (12)	C805—C806	1.539 (13)
C345—C346	1.377 (14)	C805—C804	1.537 (13)
C342—C339	1.469 (12)	C806—H80I	0.9900
C334—C335	1.366 (15)	C806—H80J	0.9900
C334—C333	1.395 (16)	C806—C801	1.535 (13)
C339—C338	1.381 (15)	C801—H80K	0.9900
C339—C340	1.396 (13)	C801—H80L	0.9900
C310—H310	0.9500	C801—C802	1.543 (13)
C310—C311	1.396 (13)	C802—H80M	0.9900
C329—H329	0.9500	C802—H80N	0.9900
C315—H315	0.9500	C802—C803	1.537 (13)
C315—C314	1.363 (12)	C803—H80O	0.9900
C356—H356	0.9500	C803—H80P	0.9900
C356—C355	1.367 (14)	C803—C804	1.537 (13)
C362—C370	1.492 (16)	C804—H80Q	0.9900
C302—H302	0.9500	C804—H80R	0.9900
C302—C301	1.350 (13)	C15B—H15D	0.9799
C313—H313	0.9500	C15B—H15E	0.9801
C313—C312	1.375 (13)	C15B—H15F	0.9800
C312—H312	0.9500	C14B—H14D	0.9800
C337—H337	0.9500	C14B—H14E	0.9800
C337—C338	1.391 (14)	C14B—H14F	0.9800
C354—H354	0.9500	O1B—H1B	0.8400
C354—C353	1.349 (13)	O1B—C13B	1.423 (19)
C314—H314	0.9500	C6B—H6B	0.9500
C355—H355	0.9500	C6B—C1B	1.3900
C305—H305	0.9500	C6B—C5B	1.3900
C370—C369	1.377 (19)	C1B—H1BA	0.9500
C370—C371	1.341 (17)	C1B—C2B	1.3900
C365—H365	0.9500	C2B—H2B	0.9500
C317—H317	0.9500	C2B—C3B	1.3900
C317—C318	1.354 (13)	C3B—H3B	0.9500
C311—H311	0.9500	C3B—C4B	1.3900
C320—H320	0.9500	C4B—C5B	1.3900
C320—C319	1.368 (15)	C5B—C13B	1.50 (2)
C351—H351	0.9500	C13B—H13C	0.9900
C351—C350	1.360 (14)	C13B—H13D	0.9900
C338—H338	0.9500
I311—Zn36—I312	125.7 (4)	C334—C335—H335	119.7
N319—Zn36—I312	109.3 (5)	C334—C335—C336	120.6 (11)
N319—Zn36—I311	106.4 (5)	C336—C335—H335	119.7
N319—Zn36—N318	100.1 (5)	C357—C358—H358	120.8
N318—Zn36—I312	108.2 (5)	C357—C358—C359	118.4 (12)
N318—Zn36—I311	104.1 (5)	C359—C358—H358	120.8
I302—Zn31—I301	122.9 (2)	N317—C348—C349	121.9 (8)
N311^i—Zn31—I301	112.8 (3)	N317—C348—H348	119.0
N311^i—Zn31—I302	107.3 (3)	C349—C348—H348	119.0
N311^i—Zn31—N301	101.3 (3)	N319—C359—C358	123.1 (11)
N301—Zn31—I301	103.6 (3)	N319—C359—H359	118.5
N301—Zn31—I302	106.4 (3)	C358—C359—H359	118.5
I305—Zn33—I306	124.4 (4)	C8A—O2A—C14A	120.2 (17)
N307—Zn33—I306	107.2 (5)	N317—C347—H347	117.9
N307—Zn33—I305	106.2 (5)	N317—C347—C346	124.3 (9)
N306—Zn33—I306	107.7 (4)	C346—C347—H347	117.9
N306—Zn33—I305	107.0 (5)	C363—C367—H367	121.6
N306—Zn33—N307	102.2 (5)	C363—C367—C366	116.7 (14)
I410—Zn45—I409	128.3 (5)	C366—C367—H367	121.6
N317—Zn45—I409	106.2 (6)	C370—C369—H369	120.9
N317—Zn45—I410	111.7 (6)	C370—C369—C368	118.2 (13)
N317—Zn45—N323^ii	92.5 (5)	C368—C369—H369	120.9
N323^ii—Zn45—I409	108.4 (6)	C345—C346—H346	120.6
N323^ii—Zn45—I410	103.8 (5)	C347—C346—C345	118.8 (10)
I307—Zn34—I308	121.6 (2)	C347—C346—H346	120.6
N313—Zn34—I308	110.3 (3)	N323—C366—C367	123.6 (13)
N313—Zn34—I307	107.2 (3)	N323—C366—H366	118.2
N313—Zn34—N312	101.7 (4)	C367—C366—H366	118.2
N312—Zn34—I308	104.8 (3)	N312—C336—C335	120.5 (11)
N312—Zn34—I307	109.4 (3)	N312—C336—H336	119.8
I304—Zn32—I303	120.69 (10)	C335—C336—H336	119.8
N305—Zn32—I304	111.3 (3)	N312—C332—H332	118.3
N305—Zn32—I303	104.4 (3)	N312—C332—C333	123.3 (12)
N324^iii—Zn32—I304	110.7 (4)	C333—C332—H332	118.3
N324^iii—Zn32—I303	104.7 (4)	C334—C333—C332	117.5 (12)
N324^iii—Zn32—N305	103.4 (4)	C334—C333—H333	121.3
C306—N302—C308	114.3 (7)	C332—C333—H333	121.3
C343—N316—C344	114.8 (7)	N324—C372—H372	119.3
C308—N304—C307	114.6 (6)	C371—C372—N324	121.4 (14)
C361—N321—C360	113.6 (9)	C371—C372—H372	119.3
C325—N309—C324	113.4 (8)	C370—C371—H371	118.6
C307—N303—C306	114.4 (6)	C372—C371—C370	122.7 (15)
Zn31^iv—N311—Zn41^iv	7.4 (6)	C372—C371—H371	118.6
C329—N311—Zn31^iv	121.6 (8)	N324—C368—C369	121.8 (15)
C329—N311—C330	118.6 (9)	N324—C368—H368	119.1
C329—N311—Zn41^iv	128.8 (9)	C369—C368—H368	119.1
C330—N311—Zn31^iv	119.5 (7)	C5A—C4A—C3A	120.0
C330—N311—Zn41^iv	112.6 (8)	C5A—C4A—C7A	121.3 (9)
C344—N314—C342	115.1 (7)	C3A—C4A—C7A	118.7 (9)
C342—N315—C343	114.1 (7)	C4A—C5A—C13A	118.3 (8)
C325—N310—C326	114.8 (8)	C6A—C5A—C4A	120.0
C361—N322—C362	115.5 (9)	C6A—C5A—C13A	121.6 (8)
C337—N313—Zn34	115.8 (8)	C5A—C6A—H6A	120.0
C337—N313—Zn44	129.9 (10)	C1A—C6A—C5A	120.0
C341—N313—Zn34	126.0 (7)	C1A—C6A—H6A	120.0
C341—N313—C337	118.2 (9)	C6A—C1A—H1A	120.0
C341—N313—Zn44	111.6 (9)	C6A—C1A—C2A	120.0
C319—N307—Zn33	121.9 (9)	C2A—C1A—H1A	120.0
C319—N307—C323	117.6 (10)	C1A—C2A—H2A	120.0
C319—N307—Zn43	124.3 (9)	C3A—C2A—C1A	120.0
C319—N307—C423	104.6 (15)	C3A—C2A—H2A	120.0
C323—N307—Zn33	119.4 (8)	C4A—C3A—H3A	120.0
C423—N307—Zn43	118.0 (12)	C2A—C3A—C4A	120.0
C305—N301—Zn31	122.3 (6)	C2A—C3A—H3A	120.0
C305—N301—Zn41	113.5 (7)	C13A—O1A—H1AA	109.5
C301—N301—Zn31	119.1 (6)	C12A—C7A—C4A	120.1 (11)
C301—N301—C305	118.4 (7)	C8A—C7A—C4A	120.0 (11)
C301—N301—Zn41	128.0 (7)	C8A—C7A—C12A	119.7 (11)
N309—C325—C327	115.8 (9)	O3A—C12A—C7A	115.8 (11)
N310—C325—N309	125.9 (8)	O3A—C12A—C11A	124.9 (12)
N310—C325—C327	118.3 (8)	C7A—C12A—C11A	119.3 (11)
C360—N320—C362	115.5 (9)	C321—C322—H322	120.7
C324—N308—C326	114.8 (8)	C323—C322—C321	118.6 (15)
C312—N305—Zn32	117.0 (8)	C323—C322—H322	120.7
C312—N305—C311	118.9 (8)	C8A—C9A—H9A	120.5
C312—N305—Zn42	138.4 (8)	C10A—C9A—H9A	120.5
C312—N305—Zn52	94.5 (15)	C10A—C9A—C8A	119.1 (12)
C311—N305—Zn32	124.0 (7)	N307—C323—C322	121.6 (13)
C311—N305—Zn42	102.2 (7)	N307—C323—H323	119.2
C311—N305—Zn52	145.4 (15)	C322—C323—H323	119.2
C355—N319—Zn36	125.7 (8)	O2A—C8A—C7A	116.3 (11)
C355—N319—Zn46	120.7 (9)	O2A—C8A—C9A	123.0 (13)
C359—N319—Zn36	117.6 (8)	C9A—C8A—C7A	120.8 (11)
C359—N319—C355	116.2 (9)	C9A—C10A—H10A	119.5
C359—N319—Zn46	123.1 (8)	C9A—C10A—C11A	121.0 (11)
C314—N306—Zn33	122.7 (7)	C11A—C10A—H10A	119.5
C314—N306—Zn43	121.4 (7)	C12A—C11A—H11A	120.0
C318—N306—Zn33	119.7 (7)	C10A—C11A—C12A	120.1 (11)
C318—N306—C314	117.4 (8)	C10A—C11A—H11A	120.0
C318—N306—Zn43	121.1 (7)	O3A—C15A—H15A	109.5
C354—N318—Zn36	120.8 (7)	O3A—C15A—H15B	109.5
C354—N318—Zn46	123.9 (8)	O3A—C15A—H15C	109.5
C350—N318—Zn36	122.6 (7)	H15A—C15A—H15B	109.5
C350—N318—C354	116.6 (8)	H15A—C15A—H15C	109.5
C350—N318—Zn46	119.3 (8)	H15B—C15A—H15C	109.5
C348—N317—Zn45	119.7 (7)	C5A—C13A—H13A	108.9
C348—N317—Zn35	124.5 (7)	C5A—C13A—H13B	108.9
C347—N317—Zn45	121.7 (7)	O1A—C13A—C5A	113.3 (11)
C347—N317—C348	117.8 (8)	O1A—C13A—H13A	108.9
C347—N317—Zn35	117.6 (7)	O1A—C13A—H13B	108.9
C356—C357—C360	123.1 (9)	H13A—C13A—H13B	107.7
C356—C357—C358	116.6 (10)	N319—Zn46—I412	104.7 (6)
C358—C357—C360	119.8 (10)	N319—Zn46—I411	108.3 (6)
N321—C361—C363	116.1 (10)	N318—Zn46—N319	104.3 (7)
N322—C361—N321	126.1 (9)	N318—Zn46—I412	103.6 (6)
N322—C361—C363	117.8 (9)	N318—Zn46—I411	110.5 (7)
N302—C308—C316	116.8 (7)	I412—Zn46—I411	123.8 (6)
N304—C308—N302	125.3 (7)	N317—Zn35—I310	107.6 (6)
N304—C308—C316	117.8 (7)	N317—Zn35—I309	102.4 (5)
C328—C327—C325	121.8 (8)	N323^ii—Zn35—N317	102.6 (5)
C331—C327—C325	121.0 (10)	N323^ii—Zn35—I310	109.2 (6)
C331—C327—C328	117.2 (9)	N323^ii—Zn35—I309	105.8 (6)
N316—C344—C352	115.9 (8)	I309—Zn35—I310	126.8 (4)
N314—C344—N316	124.6 (8)	N305—Zn42—N324^iii	92.2 (4)
N314—C344—C352	119.5 (7)	N305—Zn42—I403	118.6 (4)
N309—C324—C321	116.9 (9)	N305—Zn42—I504	102.6 (4)
N308—C324—N309	125.7 (8)	N324^iii—Zn42—I403	122.1 (4)
N308—C324—C321	117.3 (8)	N324^iii—Zn42—I504	93.0 (4)
C365—N323—Zn45^v	122.6 (10)	I504—Zn42—I403	121.9 (3)
C365—N323—C366	117.8 (11)	N307—Zn43—N306	103.2 (6)
C365—N323—Zn35^v	128.2 (11)	N307—Zn43—I405	110.6 (7)
C366—N323—Zn45^v	119.3 (9)	N307—Zn43—I406	103.6 (7)
C366—N323—Zn35^v	113.6 (10)	N306—Zn43—I405	102.8 (6)
N302—C306—N303	125.4 (7)	N306—Zn43—I406	107.7 (6)
N302—C306—C303	117.1 (7)	I406—Zn43—I405	126.8 (7)
N303—C306—C303	117.4 (7)	N311^i—Zn41—I402	106.8 (8)
C364—C363—C361	122.1 (9)	N311^i—Zn41—I401	100.0 (7)
C367—C363—C361	118.7 (12)	N301—Zn41—N311^i	94.1 (6)
C367—C363—C364	119.1 (10)	N301—Zn41—I402	114.1 (8)
N316—C343—N315	125.8 (7)	N301—Zn41—I401	102.6 (8)
N316—C343—C345	119.0 (7)	I401—Zn41—I402	132.0 (7)
N315—C343—C345	115.1 (7)	N313—Zn44—I408	115.1 (8)
N304—C307—C309	116.9 (7)	N313—Zn44—I407	99.0 (7)
N303—C307—N304	125.7 (7)	N312—Zn44—N313	103.0 (7)
N303—C307—C309	117.4 (7)	N312—Zn44—I408	117.8 (8)
C304—C303—C306	120.7 (8)	N312—Zn44—I407	97.0 (9)
C302—C303—C306	121.1 (8)	I408—Zn44—I407	121.3 (7)
C302—C303—C304	118.2 (7)	O2A—C14A—H14A	109.5
C315—C316—C308	120.4 (7)	O2A—C14A—H14B	109.5
C315—C316—C317	118.5 (8)	O2A—C14A—H14C	109.5
C317—C316—C308	121.1 (8)	H14A—C14A—H14B	109.5
C320—C321—C324	123.1 (9)	H14A—C14A—H14C	109.5
C320—C321—C322	116.2 (10)	H14B—C14A—H14C	109.5
C320—C321—C422	101.2 (16)	N305—Zn52—I503	85.5 (18)
C322—C321—C324	120.4 (11)	N305—Zn52—I1	124 (2)
C422—C321—C324	122.7 (13)	N324^iii—Zn52—N305	93.1 (19)
C310—C309—C307	122.1 (8)	N324^iii—Zn52—I503	90.2 (19)
C310—C309—C313	117.1 (8)	N324^iii—Zn52—I1	129 (2)
C313—C309—C307	120.8 (8)	I1—Zn52—I503	123 (2)
C336—N312—Zn34	122.9 (8)	C321—C422—H422	119.7
C336—N312—Zn44	110.1 (10)	C423—C422—C321	121 (2)
C332—N312—Zn34	116.8 (9)	C423—C422—H422	119.7
C332—N312—C336	120.2 (11)	N307—C423—C422	120 (2)
C332—N312—Zn44	129.4 (10)	N307—C423—H423	119.9
C345—C349—H349	120.2	C422—C423—H423	119.9
C348—C349—H349	120.2	C12B—C7B—C8B	120.0
C348—C349—C345	119.5 (8)	C12B—C7B—C4B	119.2 (14)
C351—C352—C344	120.5 (8)	C8B—C7B—C4B	120.4 (14)
C353—C352—C344	122.4 (7)	C11B—C12B—C7B	120.0
C353—C352—C351	117.0 (8)	O3B—C12B—C7B	116.3 (19)
N321—C360—C357	116.6 (9)	O3B—C12B—C11B	123.7 (19)
N320—C360—N321	124.6 (8)	C12B—C11B—H11B	120.0
N320—C360—C357	118.9 (8)	C12B—C11B—C10B	120.0
C327—C328—H328	119.2	C10B—C11B—H11B	120.0
C327—C328—C329	121.5 (9)	C11B—C10B—H10B	120.0
C329—C328—H328	119.2	C9B—C10B—C11B	120.0
Zn32^vi—N324—Zn42^vi	20.8 (2)	C9B—C10B—H10B	120.0
Zn32^vi—N324—Zn52^vi	24.5 (14)	C10B—C9B—H9B	120.0
C372—N324—Zn32^vi	119.8 (9)	C10B—C9B—C8B	120.0
C372—N324—Zn42^vi	136.7 (9)	C8B—C9B—H9B	120.0
C372—N324—Zn52^vi	100.6 (17)	C9B—C8B—C7B	120.0
C368—N324—Zn32^vi	121.5 (12)	O2B—C8B—C7B	114 (2)
C368—N324—C372	118.7 (12)	O2B—C8B—C9B	126 (2)
C368—N324—Zn42^vi	103.5 (11)	C8B—O2B—C14B	117 (3)
C368—N324—Zn52^vi	137.2 (17)	C12B—O3B—C15B	117 (2)
N310—C326—C334	117.9 (8)	H81A—C810—H81B	107.9
N308—C326—N310	125.2 (10)	C811—C810—H81A	109.3
N308—C326—C334	116.9 (8)	C811—C810—H81B	109.3
C363—C364—H364	120.7	C811—C810—C809	112 (2)
C363—C364—C365	118.6 (10)	C809—C810—H81A	109.3
C365—C364—H364	120.7	C809—C810—H81B	109.3
C303—C304—H304	120.3	C810—C811—H81C	109.2
C305—C304—C303	119.3 (8)	C810—C811—H81D	109.2
C305—C304—H304	120.3	H81C—C811—H81D	107.9
C349—C345—C343	121.6 (8)	C812—C811—C810	112 (2)
C346—C345—C343	120.8 (8)	C812—C811—H81C	109.2
C346—C345—C349	117.6 (8)	C812—C811—H81D	109.2
N314—C342—C339	118.9 (7)	C811—C812—H81E	109.2
N315—C342—N314	125.3 (8)	C811—C812—H81F	109.2
N315—C342—C339	115.8 (8)	C811—C812—C807	112 (2)
C335—C334—C326	121.6 (9)	H81E—C812—H81F	107.9
C335—C334—C333	117.7 (11)	C807—C812—H81E	109.2
C333—C334—C326	120.7 (10)	C807—C812—H81F	109.2
C338—C339—C342	120.0 (8)	C812—C807—H80A	109.3
C338—C339—C340	116.7 (9)	C812—C807—H80B	109.3
C340—C339—C342	123.3 (9)	H80A—C807—H80B	107.9
C309—C310—H310	120.0	C808—C807—C812	112 (2)
C309—C310—C311	120.0 (9)	C808—C807—H80A	109.3
C311—C310—H310	120.0	C808—C807—H80B	109.3
N311—C329—C328	121.1 (11)	C807—C808—H80C	109.2
N311—C329—H329	119.4	C807—C808—H80D	109.2
C328—C329—H329	119.4	C807—C808—C809	112 (2)
C316—C315—H315	120.2	H80C—C808—H80D	107.9
C314—C315—C316	119.6 (8)	C809—C808—H80C	109.2
C314—C315—H315	120.2	C809—C808—H80D	109.2
C357—C356—H356	119.6	C810—C809—C808	111 (2)
C357—C356—C355	120.8 (10)	C810—C809—H80E	109.5
C355—C356—H356	119.6	C810—C809—H80F	109.5
N322—C362—N320	124.5 (11)	C808—C809—H80E	109.5
N322—C362—C370	117.3 (9)	C808—C809—H80F	109.5
N320—C362—C370	118.2 (9)	H80E—C809—H80F	108.1
C303—C302—H302	120.5	H80G—C805—H80H	108.3
C301—C302—C303	119.0 (9)	C806—C805—H80G	109.9
C301—C302—H302	120.5	C806—C805—H80H	109.9
C309—C313—H313	120.6	C804—C805—H80G	109.9
C312—C313—C309	118.8 (10)	C804—C805—H80H	109.9
C312—C313—H313	120.6	C804—C805—C806	108.7 (19)
N305—C312—C313	123.6 (10)	C805—C806—H80I	109.6
N305—C312—H312	118.2	C805—C806—H80J	109.6
C313—C312—H312	118.2	H80I—C806—H80J	108.1
N313—C337—H337	119.1	C801—C806—C805	110.5 (18)
N313—C337—C338	121.8 (11)	C801—C806—H80I	109.6
C338—C337—H337	119.1	C801—C806—H80J	109.6
N318—C354—H354	119.1	C806—C801—H80K	109.9
C353—C354—N318	121.8 (9)	C806—C801—H80L	109.9
C353—C354—H354	119.1	C806—C801—C802	108.8 (17)
N306—C314—C315	122.3 (9)	H80K—C801—H80L	108.3
N306—C314—H314	118.9	C802—C801—H80K	109.9
C315—C314—H314	118.9	C802—C801—H80L	109.9
N319—C355—C356	122.9 (11)	C801—C802—H80M	109.7
N319—C355—H355	118.6	C801—C802—H80N	109.7
C356—C355—H355	118.6	H80M—C802—H80N	108.2
N301—C305—C304	121.5 (9)	C803—C802—C801	109.7 (17)
N301—C305—H305	119.3	C803—C802—H80M	109.7
C304—C305—H305	119.3	C803—C802—H80N	109.7
C369—C370—C362	119.3 (10)	C802—C803—H80O	109.3
C371—C370—C362	123.5 (12)	C802—C803—H80P	109.3
C371—C370—C369	117.3 (13)	H80O—C803—H80P	108.0
N323—C365—C364	124.0 (13)	C804—C803—C802	111.6 (18)
N323—C365—H365	118.0	C804—C803—H80O	109.3
C364—C365—H365	118.0	C804—C803—H80P	109.3
C316—C317—H317	120.9	C805—C804—H80Q	109.6
C318—C317—C316	118.1 (9)	C805—C804—H80R	109.6
C318—C317—H317	120.9	C803—C804—C805	110.3 (17)
N305—C311—C310	121.3 (10)	C803—C804—H80Q	109.6
N305—C311—H311	119.3	C803—C804—H80R	109.6
C310—C311—H311	119.3	H80Q—C804—H80R	108.1
C321—C320—H320	118.5	O3B—C15B—H15D	109.5
C321—C320—C319	123.1 (11)	O3B—C15B—H15E	109.5
C319—C320—H320	118.5	O3B—C15B—H15F	109.5
C352—C351—H351	120.9	H15D—C15B—H15E	109.5
C350—C351—C352	118.1 (9)	H15D—C15B—H15F	109.5
C350—C351—H351	120.9	H15E—C15B—H15F	109.5
C339—C338—C337	120.7 (10)	O2B—C14B—H14D	109.5
C339—C338—H338	119.7	O2B—C14B—H14E	109.5
C337—C338—H338	119.7	O2B—C14B—H14F	109.5
C352—C353—H353	119.2	H14D—C14B—H14E	109.5
C354—C353—C352	121.5 (8)	H14D—C14B—H14F	109.5
C354—C353—H353	119.2	H14E—C14B—H14F	109.5
C327—C331—H331	119.8	C13B—O1B—H1B	109.5
C327—C331—C330	120.3 (11)	C1B—C6B—H6B	120.0
C330—C331—H331	119.8	C1B—C6B—C5B	120.0
N301—C301—C302	123.5 (9)	C5B—C6B—H6B	120.0
N301—C301—H301	118.3	C6B—C1B—H1BA	120.0
C302—C301—H301	118.3	C6B—C1B—C2B	120.0
N313—C341—H341	117.8	C2B—C1B—H1BA	120.0
N313—C341—C340	124.4 (10)	C1B—C2B—H2B	120.0
C340—C341—H341	117.8	C3B—C2B—C1B	120.0
N307—C319—C320	121.6 (13)	C3B—C2B—H2B	120.0
N307—C319—H319	119.2	C2B—C3B—H3B	120.0
C320—C319—H319	119.2	C2B—C3B—C4B	120.0
N318—C350—C351	124.8 (9)	C4B—C3B—H3B	120.0
N318—C350—H350	117.6	C3B—C4B—C7B	116.8 (14)
C351—C350—H350	117.6	C3B—C4B—C5B	120.0
N306—C318—C317	124.1 (9)	C5B—C4B—C7B	123.2 (14)
N306—C318—H318	117.9	C6B—C5B—C13B	118.5 (15)
C317—C318—H318	117.9	C4B—C5B—C6B	120.0
C339—C340—H340	120.9	C4B—C5B—C13B	121.5 (15)
C341—C340—C339	118.2 (11)	O1B—C13B—C5B	114 (2)
C341—C340—H340	120.9	O1B—C13B—H13C	108.8
C12A—O3A—C15A	120.5 (17)	O1B—C13B—H13D	108.8
N311—C330—C331	121.2 (10)	C5B—C13B—H13C	108.8
N311—C330—H330	119.4	C5B—C13B—H13D	108.8
C331—C330—H330	119.4	H13C—C13B—H13D	107.7
Zn36—N319—C355—C356	177.9 (9)	C356—C357—C360—N321	0.4 (13)
Zn36—N319—C359—C358	−176.7 (11)	C356—C357—C360—N320	−179.7 (9)
Zn36—N318—C354—C353	−174.9 (10)	C356—C357—C358—C359	−11.6 (18)
Zn36—N318—C350—C351	175.6 (12)	C362—N322—C361—N321	−1.4 (14)
Zn31^iv—N311—C329—C328	171.4 (7)	C362—N322—C361—C363	178.4 (8)
Zn31^iv—N311—C330—C331	−170.9 (9)	C362—N320—C360—N321	0.4 (13)
Zn31—N301—C305—C304	173.6 (9)	C362—N320—C360—C357	−179.5 (8)
Zn31—N301—C301—C302	−176.4 (11)	C362—C370—C369—C368	178.8 (12)
Zn33—N307—C319—C320	178.0 (9)	C362—C370—C371—C372	−178.4 (14)
Zn33—N307—C323—C322	177.9 (18)	C302—C303—C304—C305	−2.2 (17)
Zn33—N306—C314—C315	−173.6 (9)	C313—C309—C310—C311	−1.6 (17)
Zn33—N306—C318—C317	174.1 (13)	C312—N305—C311—C310	1 (2)
Zn45—N317—C348—C349	167.8 (10)	C337—N313—C341—C340	−1.2 (19)
Zn45—N317—C347—C346	−167.5 (15)	C354—N318—C350—C351	−3 (2)
Zn45^v—N323—C365—C364	172.2 (8)	C314—N306—C318—C317	−1 (2)
Zn45^v—N323—C366—C367	−173.2 (12)	C355—N319—C359—C358	10.5 (19)
Zn34—N313—C337—C338	−180.0 (11)	C305—N301—C301—C302	−2 (2)
Zn34—N313—C341—C340	179.8 (10)	C370—C369—C368—N324	1 (2)
Zn34—N312—C336—C335	−172.4 (11)	C365—N323—C366—C367	1 (2)
Zn34—N312—C332—C333	174.3 (14)	C317—C316—C315—C314	1.2 (17)
Zn32—N305—C312—C313	−174.7 (11)	C311—N305—C312—C313	2 (2)
Zn32—N305—C311—C310	177.2 (9)	C320—C321—C322—C323	0 (3)
Zn32^vi—N324—C372—C371	−178.9 (13)	C320—C321—C422—C423	−39 (4)
Zn32^vi—N324—C368—C369	179.2 (12)	C351—C352—C353—C354	−0.8 (19)
N302—C308—C316—C315	−3.4 (14)	C338—C339—C340—C341	2.2 (18)
N302—C308—C316—C317	176.5 (11)	C353—C352—C351—C350	1.5 (19)
N302—C306—C303—C304	−0.2 (14)	C331—C327—C328—C329	2.2 (14)
N302—C306—C303—C302	−179.8 (10)	C301—N301—C305—C304	−0.7 (19)
N316—C344—C352—C351	177.9 (11)	C341—N313—C337—C338	0.9 (19)
N316—C344—C352—C353	−1.4 (16)	C319—N307—C323—C322	−14 (3)
N316—C343—C345—C349	−1.7 (16)	C319—N307—C423—C422	40 (4)
N316—C343—C345—C346	177.3 (13)	C350—N318—C354—C353	4.1 (18)
N304—C308—C316—C315	173.2 (10)	C318—N306—C314—C315	1.7 (18)
N304—C308—C316—C317	−6.9 (15)	C340—C339—C338—C337	−2.5 (19)
N304—C307—C309—C310	172.7 (10)	O3A—C12A—C11A—C10A	−178.9 (17)
N304—C307—C309—C313	−9.9 (15)	C330—N311—C329—C328	−2.1 (14)
N321—C361—C363—C364	7.3 (13)	C335—C334—C333—C332	2 (2)
N321—C361—C363—C367	−175.1 (10)	C358—C357—C360—N321	172.6 (10)
N309—C325—C327—C328	12.1 (12)	C358—C357—C360—N320	−7.5 (14)
N309—C325—C327—C331	−167.1 (9)	C358—C357—C356—C355	12.4 (16)
N309—C324—C321—C320	20.6 (14)	C348—N317—C347—C346	3 (3)
N309—C324—C321—C322	−152.9 (14)	C348—C349—C345—C343	179.1 (11)
N309—C324—C321—C422	154 (2)	C348—C349—C345—C346	0.1 (19)
N303—C306—C303—C304	−176.7 (9)	C359—N319—C355—C356	−9.9 (17)
N303—C306—C303—C302	3.7 (15)	C347—N317—C348—C349	−3 (2)
N303—C307—C309—C310	−9.9 (15)	C367—C363—C364—C365	4.4 (16)
N303—C307—C309—C313	167.4 (10)	C369—C370—C371—C372	1 (2)
N314—C344—C352—C351	−1.8 (16)	C366—N323—C365—C364	−1.8 (17)
N314—C344—C352—C353	178.8 (11)	C336—N312—C332—C333	−3 (3)
N314—C342—C339—C338	174.5 (11)	C332—N312—C336—C335	4 (2)
N314—C342—C339—C340	−5.8 (16)	C333—C334—C335—C336	0 (2)
N315—C343—C345—C349	179.2 (10)	C372—N324—C368—C369	−2 (2)
N315—C343—C345—C346	−1.9 (17)	C371—C370—C369—C368	−1 (2)
N315—C342—C339—C338	−8.6 (15)	C368—N324—C372—C371	2 (2)
N315—C342—C339—C340	171.2 (11)	C4A—C5A—C6A—C1A	0.0
N310—C325—C327—C328	−167.3 (8)	C4A—C5A—C13A—O1A	160.3 (11)
N310—C325—C327—C331	13.5 (13)	C4A—C7A—C12A—O3A	4 (2)
N310—C326—C334—C335	−15.7 (16)	C4A—C7A—C12A—C11A	−178.2 (15)
N310—C326—C334—C333	166.0 (12)	C4A—C7A—C8A—O2A	−3 (2)
N322—C361—C363—C364	−172.5 (9)	C4A—C7A—C8A—C9A	176.0 (15)
N322—C361—C363—C367	5.1 (14)	C5A—C4A—C3A—C2A	0.0
N322—C362—C370—C369	159.0 (12)	C5A—C4A—C7A—C12A	−110.7 (14)
N322—C362—C370—C371	−21.5 (17)	C5A—C4A—C7A—C8A	73.0 (17)
N313—C337—C338—C339	1 (2)	C5A—C6A—C1A—C2A	0.0
N313—C341—C340—C339	0 (2)	C6A—C5A—C13A—O1A	−22 (2)
C325—N309—C324—N308	−1.7 (13)	C6A—C1A—C2A—C3A	0.0
C325—N309—C324—C321	174.2 (8)	C1A—C2A—C3A—C4A	0.0
C325—N310—C326—N308	0.0 (14)	C3A—C4A—C5A—C6A	0.0
C325—N310—C326—C334	178.2 (8)	C3A—C4A—C5A—C13A	177.5 (13)
C325—C327—C328—C329	−177.0 (8)	C3A—C4A—C7A—C12A	70.4 (17)
C325—C327—C331—C330	177.7 (10)	C3A—C4A—C7A—C8A	−105.9 (15)
N320—C362—C370—C369	−19.4 (16)	C7A—C4A—C5A—C6A	−178.8 (11)
N320—C362—C370—C371	160.1 (12)	C7A—C4A—C5A—C13A	−1.3 (14)
N308—C324—C321—C320	−163.2 (10)	C7A—C4A—C3A—C2A	178.9 (10)
N308—C324—C321—C322	23.3 (18)	C7A—C12A—C11A—C10A	3 (3)
N308—C324—C321—C422	−29 (2)	C12A—C7A—C8A—O2A	−179.1 (15)
N308—C326—C334—C335	162.6 (12)	C12A—C7A—C8A—C9A	0 (3)
N308—C326—C334—C333	−15.6 (17)	C322—C321—C320—C319	−4 (2)
N318—C354—C353—C352	−2 (2)	C9A—C10A—C11A—C12A	−2 (3)
N317—C347—C346—C345	−1 (3)	C323—N307—C319—C320	10 (2)
C357—C356—C355—N319	−1.6 (18)	C8A—C7A—C12A—O3A	−180.0 (15)
C357—C358—C359—N319	0 (2)	C8A—C7A—C12A—C11A	−2 (3)
C361—N321—C360—N320	−4.0 (12)	C8A—C9A—C10A—C11A	0 (3)
C361—N321—C360—C357	175.9 (7)	C10A—C9A—C8A—O2A	179.9 (17)
C361—N322—C362—N320	−2.9 (15)	C10A—C9A—C8A—C7A	1 (3)
C361—N322—C362—C370	178.8 (9)	C15A—O3A—C12A—C7A	171.3 (16)
C361—C363—C364—C365	−178.0 (9)	C15A—O3A—C12A—C11A	−7 (3)
C361—C363—C367—C366	177.3 (11)	C13A—C5A—C6A—C1A	−177.4 (13)
C308—N302—C306—N303	−3.4 (14)	Zn46—N319—C355—C356	171.3 (10)
C308—N302—C306—C303	−179.6 (8)	Zn46—N319—C359—C358	−170.8 (11)
C308—N304—C307—N303	−1.6 (14)	Zn46—N318—C354—C353	−169.8 (11)
C308—N304—C307—C309	175.5 (8)	Zn46—N318—C350—C351	170.8 (12)
C308—C316—C315—C314	−178.9 (10)	Zn35—N317—C348—C349	178.3 (10)
C308—C316—C317—C318	179.3 (12)	Zn35—N317—C347—C346	−178.1 (16)
C327—C328—C329—N311	−0.4 (14)	Zn35^v—N323—C365—C364	170.4 (8)
C327—C331—C330—N311	−0.9 (18)	Zn35^v—N323—C366—C367	−172.4 (12)
C344—N316—C343—N315	−0.7 (15)	Zn42—N305—C312—C313	171.7 (11)
C344—N316—C343—C345	−179.7 (9)	Zn42—N305—C311—C310	−172.1 (11)
C344—N314—C342—N315	−1.7 (15)	Zn42^vi—N324—C372—C371	−163.2 (12)
C344—N314—C342—C339	174.9 (9)	Zn42^vi—N324—C368—C369	167.8 (13)
C344—C352—C351—C350	−177.9 (12)	Zn43—N307—C319—C320	179.7 (10)
C344—C352—C353—C354	178.6 (11)	Zn43—N307—C423—C422	−177 (3)
C324—N309—C325—N310	3.5 (12)	Zn43—N306—C314—C315	−177.1 (9)
C324—N309—C325—C327	−175.9 (7)	Zn43—N306—C318—C317	177.4 (13)
C324—N308—C326—N310	1.5 (15)	Zn41^iv—N311—C329—C328	173.8 (8)
C324—N308—C326—C334	−176.8 (9)	Zn41^iv—N311—C330—C331	−173.7 (10)
C324—C321—C320—C319	−177.4 (11)	Zn41—N301—C305—C304	176.9 (11)
C324—C321—C322—C323	173.8 (18)	Zn41—N301—C301—C302	−179.1 (12)
C324—C321—C422—C423	179 (3)	Zn44—N313—C337—C338	174.3 (11)
C306—N302—C308—N304	6.3 (14)	Zn44—N313—C341—C340	−175.8 (12)
C306—N302—C308—C316	−177.4 (8)	Zn44—N312—C336—C335	178.7 (13)
C306—N303—C307—N304	4.0 (14)	Zn44—N312—C332—C333	−175.7 (14)
C306—N303—C307—C309	−173.1 (8)	C14A—O2A—C8A—C7A	−180 (2)
C306—C303—C304—C305	178.2 (10)	C14A—O2A—C8A—C9A	1 (3)
C306—C303—C302—C301	179.4 (11)	Zn52—N305—C312—C313	−169.2 (17)
C363—C364—C365—N323	−0.8 (16)	Zn52—N305—C311—C310	165 (2)
C363—C367—C366—N323	3 (2)	Zn52^vi—N324—C372—C371	165 (2)
C343—N316—C344—N314	4.1 (15)	Zn52^vi—N324—C368—C369	−156 (2)
C343—N316—C344—C352	−175.6 (9)	C422—C321—C320—C319	41 (2)
C343—N315—C342—N314	4.6 (15)	C423—N307—C319—C320	−40 (2)
C343—N315—C342—C339	−172.0 (9)	C7B—C12B—C11B—C10B	0.0
C343—C345—C346—C347	−179.1 (14)	C7B—C12B—O3B—C15B	180 (4)
C307—N304—C308—N302	−4.0 (14)	C7B—C8B—O2B—C14B	−176 (4)
C307—N304—C308—C316	179.7 (9)	C7B—C4B—C5B—C6B	−177 (3)
C307—N303—C306—N302	−1.3 (14)	C7B—C4B—C5B—C13B	5 (3)
C307—N303—C306—C303	174.9 (9)	C12B—C7B—C8B—C9B	0.0
C307—C309—C310—C311	175.9 (11)	C12B—C7B—C8B—O2B	−177 (2)
C307—C309—C313—C312	−173.4 (11)	C12B—C7B—C4B—C3B	86 (2)
C303—C304—C305—N301	2.7 (19)	C12B—C7B—C4B—C5B	−97 (2)
C303—C302—C301—N301	2 (2)	C12B—C11B—C10B—C9B	0.0
C316—C315—C314—N306	−1.7 (18)	C11B—C12B—O3B—C15B	2 (5)
C316—C317—C318—N306	1 (2)	C11B—C10B—C9B—C8B	0.0
C321—C320—C319—N307	−2 (2)	C10B—C9B—C8B—C7B	0.0
C321—C322—C323—N307	9 (4)	C10B—C9B—C8B—O2B	177 (3)
C321—C422—C423—N307	0 (6)	C9B—C8B—O2B—C14B	7 (4)
C309—C310—C311—N305	−1 (2)	C8B—C7B—C12B—C11B	0.0
C309—C313—C312—N305	−4 (2)	C8B—C7B—C12B—O3B	−178 (3)
N312—C332—C333—C334	0 (3)	C8B—C7B—C4B—C3B	−87 (2)
C349—C345—C346—C347	0 (2)	C8B—C7B—C4B—C5B	91 (3)
C352—C351—C350—N318	1 (2)	O3B—C12B—C11B—C10B	177 (3)
C360—N321—C361—N322	4.5 (13)	C810—C811—C812—C807	53 (5)
C360—N321—C361—C363	−175.2 (7)	C811—C810—C809—C808	55 (5)
C360—N320—C362—N322	3.3 (14)	C811—C812—C807—C808	−53 (5)
C360—N320—C362—C370	−178.4 (9)	C812—C807—C808—C809	54 (5)
C360—C357—C356—C355	−175.2 (10)	C807—C808—C809—C810	−55 (5)
C360—C357—C358—C359	175.8 (11)	C809—C810—C811—C812	−54 (5)
C328—C327—C331—C330	−1.6 (16)	C805—C806—C801—C802	62 (4)
N324—C372—C371—C370	−2 (3)	C806—C805—C804—C803	58 (4)
C326—N310—C325—N309	−2.7 (12)	C806—C801—C802—C803	−59 (4)
C326—N310—C325—C327	176.6 (8)	C801—C802—C803—C804	57 (4)
C326—N308—C324—N309	−0.5 (14)	C802—C803—C804—C805	−57 (4)
C326—N308—C324—C321	−176.4 (9)	C804—C805—C806—C801	−61 (4)
C326—C334—C335—C336	−178.4 (13)	C6B—C1B—C2B—C3B	0.0
C326—C334—C333—C332	−179.9 (13)	C6B—C5B—C13B—O1B	−109 (4)
C364—C363—C367—C366	−5.0 (18)	C1B—C6B—C5B—C4B	0.0
C304—C303—C302—C301	−0.2 (18)	C1B—C6B—C5B—C13B	178 (2)
C345—C349—C348—N317	1.2 (19)	C1B—C2B—C3B—C4B	0.0
C342—N314—C344—N316	−3.0 (15)	C2B—C3B—C4B—C7B	177 (3)
C342—N314—C344—C352	176.7 (9)	C2B—C3B—C4B—C5B	0.0
C342—N315—C343—N316	−3.4 (15)	C3B—C4B—C5B—C6B	0.0
C342—N315—C343—C345	175.7 (9)	C3B—C4B—C5B—C13B	−178 (2)
C342—C339—C338—C337	177.3 (12)	C4B—C7B—C12B—C11B	−173 (2)
C342—C339—C340—C341	−177.5 (11)	C4B—C7B—C12B—O3B	10 (3)
C334—C335—C336—N312	−3 (2)	C4B—C7B—C8B—C9B	172 (2)
C310—C309—C313—C312	4.1 (18)	C4B—C7B—C8B—O2B	−5 (3)
C329—N311—C330—C331	2.8 (16)	C4B—C5B—C13B—O1B	69 (4)
C315—C316—C317—C318	−0.8 (19)	C5B—C6B—C1B—C2B	0.0

Symmetry codes: (i) x+1/2, −y+2, z+1/2; (ii) x+1/2, −y+1, z+1/2; (iii) x, y+1, z+1; (iv) x−1/2, −y+2, z−1/2; (v) x−1/2, −y+1, z−1/2; (vi) x, y−1, z−1.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (50_1_96c)

Crystal data

C72H48I12N24Zn6·0.65(C15H16O3)·0.498(C6H12)	F(000) = 6290
Mr = 3365.01	Dx = 1.403 Mg m^−3
Monoclinic, P2/n	Cu Kα radiation, λ = 1.54184 Å
a = 31.5154 (10) Å	Cell parameters from 14997 reflections
b = 15.0261 (5) Å	θ = 2.9–68.8°
c = 34.3648 (12) Å	µ = 19.55 mm^−1
β = 101.863 (3)°	T = 100 K
V = 15926.0 (9) Å^3	Block, light yellow
Z = 4	0.28 × 0.18 × 0.15 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	28948 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	19487 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.072
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.1°
profile data from ω–scans	h = −37→37
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −15→18
Tmin = 0.031, Tmax = 0.200	l = −40→41
98591 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.127	H-atom parameters constrained
wR(F^2) = 0.385	w = 1/[σ^2(Fo^2) + (0.1614P)^2 + 260.5478P] where P = (Fo^2 + 2Fc^2)/3
S = 1.06	(Δ/σ)max = 0.002
28948 reflections	Δρmax = 1.45 e Å^−3
1507 parameters	Δρmin = −1.00 e Å^−3
495 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I304	0.5871 (4)	0.5051 (6)	0.8574 (3)	0.161 (5)	0.4893
I307	0.88323 (11)	0.1123 (4)	0.73743 (18)	0.0905 (16)	0.512 (3)
I308	0.9345 (3)	0.0230 (5)	0.6320 (3)	0.207 (5)	0.512 (3)
I406	0.6752 (4)	0.9639 (5)	0.4944 (2)	0.172 (6)	0.36
I310	0.6029 (4)	0.0125 (5)	0.3612 (3)	0.244 (7)	0.5
I312	0.70422 (9)	0.4796 (2)	0.00979 (9)	0.0712 (6)	0.5516
I405	0.7774 (3)	0.9644 (4)	0.60282 (16)	0.0738 (19)	0.36
I303	0.48531 (15)	0.6649 (5)	0.89668 (17)	0.0891 (14)	0.4893
I301	0.8595 (2)	0.6017 (6)	1.2250 (2)	0.0868 (14)	0.4697
I309	0.4971 (3)	0.1678 (9)	0.4009 (3)	0.223 (6)	0.5
I311	0.80155 (10)	0.4013 (2)	0.11647 (11)	0.0852 (8)	0.5516
I302	0.9328 (2)	0.5027 (3)	1.13510 (18)	0.0906 (14)	0.4697
Zn34	0.9077 (4)	0.1417 (7)	0.6736 (3)	0.158 (7)	0.512 (3)
Zn32	0.55289 (17)	0.6527 (5)	0.86903 (18)	0.059 (3)	0.4893
Zn35	0.5681 (4)	0.1540 (7)	0.3786 (3)	0.152 (7)	0.5
Zn31	0.8949 (5)	0.6221 (9)	1.1675 (3)	0.070 (3)	0.4697
Zn43	0.7057 (6)	0.9023 (8)	0.5623 (5)	0.226 (13)	0.36
Zn36	0.72749 (18)	0.3857 (5)	0.0715 (2)	0.0615 (12)	0.5516
N309	0.5175 (4)	0.9830 (7)	0.7214 (4)	0.070 (4)
N316	0.7296 (4)	0.3115 (7)	0.5389 (4)	0.063 (3)
N314	0.6898 (4)	0.4418 (8)	0.5217 (4)	0.070 (4)
N323	0.4571 (5)	0.7569 (9)	0.1865 (4)	0.075 (4)
N321	0.5372 (4)	0.4759 (9)	0.2286 (4)	0.068 (3)
N315	0.7495 (4)	0.4398 (8)	0.5761 (4)	0.067 (3)
N317	0.8605 (4)	0.2152 (7)	0.6379 (4)	0.078 (4)
N308	0.5743 (5)	0.9014 (9)	0.7019 (4)	0.073 (4)
N313	0.7100 (6)	0.7630 (10)	0.5589 (4)	0.083 (4)
N310	0.5480 (5)	1.0333 (9)	0.6676 (4)	0.077 (4)
N307	0.5455 (5)	0.7339 (10)	0.8198 (4)	0.077 (4)
N312	0.6600 (6)	0.9207 (10)	0.5959 (5)	0.089 (5)
N319	0.5674 (5)	0.2339 (9)	0.3298 (4)	0.078 (4)
N304	0.6887 (5)	0.9344 (8)	1.0057 (4)	0.076 (4)
N302	0.7238 (5)	0.7969 (9)	1.0209 (4)	0.076 (4)
N322	0.5670 (5)	0.5235 (10)	0.1750 (4)	0.074 (4)
N303	0.7449 (5)	0.9231 (10)	1.0620 (4)	0.078 (4)
C324	0.5455 (6)	0.9141 (10)	0.7242 (5)	0.067 (4)
N320	0.5928 (6)	0.3929 (10)	0.2103 (5)	0.085 (4)
N318	0.6144 (5)	0.2188 (9)	0.4224 (4)	0.086 (5)
N311	0.4419 (6)	1.2727 (12)	0.6812 (6)	0.095 (5)
C325	0.5216 (6)	1.0410 (11)	0.6928 (5)	0.068 (4)
C352	0.6673 (5)	0.3083 (9)	0.4849 (5)	0.067 (4)
C339	0.7140 (5)	0.5821 (8)	0.5549 (4)	0.059 (4)
C321	0.5447 (5)	0.8512 (8)	0.7576 (5)	0.063 (4)
N305	0.7199 (6)	1.2492 (10)	1.0572 (5)	0.089 (4)
C361	0.5416 (5)	0.5322 (11)	0.1999 (5)	0.068 (4)
N301	0.8516 (5)	0.6937 (9)	1.1252 (5)	0.090 (5)
C343	0.7536 (5)	0.3551 (9)	0.5680 (4)	0.061 (4)
C345	0.7908 (5)	0.3051 (9)	0.5931 (5)	0.066 (4)
C342	0.7178 (5)	0.4818 (10)	0.5508 (5)	0.066 (4)
C327	0.4956 (6)	1.1237 (10)	0.6897 (5)	0.072 (4)
N306	0.6016 (5)	0.7167 (10)	0.9082 (5)	0.088 (5)
C360	0.5655 (6)	0.4054 (12)	0.2330 (5)	0.073 (4)
O2A	0.7457 (6)	0.5256 (10)	0.8154 (5)	0.086 (5)	0.6499
C308	0.6929 (6)	0.8486 (11)	1.0003 (5)	0.075 (5)
O3A	0.6077 (6)	0.5732 (11)	0.7334 (6)	0.089 (5)	0.6499
C363	0.5129 (5)	0.6131 (10)	0.1964 (5)	0.063 (4)
C349	0.7986 (6)	0.2196 (10)	0.5853 (6)	0.084 (6)
H349	0.779535	0.188767	0.564620	0.101*
C344	0.6973 (5)	0.3569 (10)	0.5169 (4)	0.064 (4)
C357	0.5647 (6)	0.3465 (10)	0.2654 (5)	0.070 (4)
C334	0.6043 (6)	0.9477 (12)	0.6467 (5)	0.075 (5)
C316	0.6626 (6)	0.8013 (12)	0.9671 (5)	0.082 (5)
C353	0.6763 (6)	0.2242 (10)	0.4745 (5)	0.078 (5)
H353	0.701342	0.194532	0.488615	0.093*
C306	0.7486 (5)	0.8363 (10)	1.0521 (5)	0.071 (4)
C322	0.5675 (6)	0.7740 (13)	0.7604 (6)	0.087 (6)
H322	0.583283	0.758917	0.740569	0.104*
C329	0.4413 (7)	1.2170 (11)	0.7097 (6)	0.086 (6)
H329	0.422092	1.227191	0.727159	0.104*
C320	0.5178 (7)	0.8617 (11)	0.7835 (5)	0.084 (6)
H320	0.497691	0.909558	0.779740	0.101*
C348	0.8342 (6)	0.1769 (12)	0.6073 (6)	0.090 (6)
H348	0.840276	0.117756	0.600321	0.108*
C328	0.4689 (7)	1.1400 (11)	0.7156 (6)	0.085 (6)
H328	0.468626	1.100908	0.737317	0.102*
C365	0.4630 (6)	0.7075 (12)	0.2192 (5)	0.076 (5)
H365	0.448083	0.722278	0.239706	0.091*
C323	0.5675 (6)	0.7171 (12)	0.7923 (6)	0.088 (6)
H323	0.584244	0.664065	0.794148	0.105*
C307	0.7151 (6)	0.9689 (10)	1.0357 (6)	0.077 (5)
N324	0.6793 (7)	0.4059 (14)	0.1038 (6)	0.106 (6)
C356	0.5330 (7)	0.3411 (16)	0.2840 (7)	0.105 (7)
H356	0.507641	0.375403	0.274727	0.126*
C337	0.7322 (6)	0.7186 (12)	0.5878 (5)	0.080 (5)
H337	0.746725	0.749684	0.610781	0.096*
C338	0.7358 (6)	0.6259 (13)	0.5868 (6)	0.083 (5)
H338	0.753371	0.594625	0.608269	0.100*
C326	0.5734 (6)	0.9611 (12)	0.6730 (5)	0.078 (5)
C333	0.6376 (8)	0.8929 (15)	0.6570 (6)	0.098 (6)
H333	0.641970	0.860990	0.681388	0.117*
C304	0.7900 (6)	0.6963 (11)	1.0710 (6)	0.088 (6)
H304	0.770774	0.665747	1.050417	0.105*
C354	0.6491 (6)	0.1821 (12)	0.4435 (5)	0.084 (5)
H354	0.656026	0.123071	0.437155	0.100*
C319	0.5192 (7)	0.8028 (12)	0.8160 (6)	0.090 (6)
H319	0.501480	0.812987	0.834808	0.108*
C341	0.6885 (7)	0.7207 (11)	0.5282 (6)	0.092 (6)
H341	0.672157	0.754272	0.506830	0.111*
C309	0.7163 (6)	1.0693 (13)	1.0442 (5)	0.079 (5)
C346	0.8182 (6)	0.3470 (10)	0.6237 (6)	0.083 (5)
H346	0.813093	0.407264	0.629805	0.100*
C351	0.6321 (6)	0.3477 (11)	0.4624 (6)	0.093 (7)
H351	0.626363	0.408539	0.466919	0.112*
C315	0.6657 (7)	0.7146 (11)	0.9595 (6)	0.086 (6)
H315	0.688708	0.680896	0.974897	0.104*
C340	0.6885 (6)	0.6301 (11)	0.5252 (5)	0.081 (5)
H340	0.671035	0.600985	0.503003	0.097*
C314	0.6361 (6)	0.6728 (13)	0.9298 (6)	0.091 (6)
H314	0.640121	0.611689	0.924325	0.109*
C366	0.4807 (7)	0.7394 (11)	0.1597 (7)	0.091 (6)
H366	0.477547	0.776906	0.137047	0.109*
C364	0.4902 (6)	0.6352 (12)	0.2238 (6)	0.079 (5)
H364	0.493031	0.599966	0.247136	0.095*
C317	0.6281 (7)	0.8489 (12)	0.9446 (6)	0.099 (7)
H317	0.625031	0.910920	0.948627	0.118*
C336	0.6249 (8)	0.9703 (16)	0.5865 (6)	0.097 (7)
H336	0.619109	0.997220	0.560979	0.117*
C303	0.7846 (6)	0.7844 (11)	1.0770 (5)	0.082 (5)
C332	0.6663 (8)	0.8833 (13)	0.6309 (7)	0.101 (7)
H332	0.691510	0.847903	0.639100	0.122*
C318	0.5984 (7)	0.8036 (12)	0.9162 (7)	0.106 (8)
H318	0.574422	0.835780	0.901503	0.127*
C362	0.5932 (8)	0.4510 (15)	0.1812 (6)	0.094 (6)
C4A	0.6794 (8)	0.6443 (10)	0.7833 (6)	0.069 (6)	0.6499
O1A	0.7104 (6)	0.7386 (12)	0.6934 (6)	0.090 (6)	0.6499
H1AA	0.695270	0.746288	0.670558	0.135*	0.6499
C355	0.5347 (7)	0.2858 (16)	0.3178 (7)	0.105 (7)
H355	0.511598	0.287104	0.331743	0.125*
C3A	0.6752 (6)	0.6709 (12)	0.8211 (6)	0.066 (6)	0.6499
H3A	0.671694	0.627550	0.840314	0.079*	0.6499
C370	0.6228 (7)	0.4389 (15)	0.1539 (6)	0.091 (6)
C350	0.6046 (7)	0.3025 (12)	0.4335 (7)	0.098 (7)
H350	0.578190	0.329508	0.420646	0.117*
C347	0.8535 (6)	0.3013 (12)	0.6461 (6)	0.098 (7)
H347	0.872703	0.330788	0.667127	0.118*
C312	0.6948 (7)	1.2191 (14)	1.0252 (7)	0.097 (6)
H312	0.678051	1.259526	1.006997	0.116*
C367	0.5093 (7)	0.6698 (13)	0.1631 (6)	0.088 (5)
H367	0.526285	0.660066	0.143589	0.106*
C305	0.8239 (6)	0.6508 (12)	1.0955 (6)	0.092 (6)
H305	0.827748	0.589036	1.091282	0.110*
C7A	0.6765 (7)	0.5460 (10)	0.7738 (7)	0.075 (6)	0.6499
C310	0.7394 (7)	1.1048 (11)	1.0772 (6)	0.098 (7)
H310	0.754621	1.066906	1.097474	0.118*
C372	0.6439 (10)	0.457 (2)	0.0924 (8)	0.124 (9)
H372	0.637716	0.481023	0.066235	0.148*
C5A	0.6860 (8)	0.7070 (11)	0.7551 (6)	0.076 (6)	0.6499
C302	0.8116 (8)	0.8299 (11)	1.1075 (7)	0.123 (10)
H302	0.808237	0.891186	1.112901	0.147*
C311	0.7417 (7)	1.1943 (13)	1.0823 (7)	0.096 (6)
H311	0.760163	1.217359	1.105501	0.115*
C371	0.6168 (9)	0.4763 (15)	0.1173 (7)	0.108 (7)
H371	0.593309	0.516206	0.108990	0.130*
C301	0.8446 (8)	0.7760 (14)	1.1298 (8)	0.129 (10)
H301	0.863913	0.804852	1.150849	0.154*
C330	0.4667 (10)	1.2565 (13)	0.6568 (10)	0.131 (10)
H330	0.465064	1.295640	0.634856	0.157*
C6A	0.6868 (7)	0.7972 (11)	0.7651 (7)	0.080 (7)	0.6499
H6A	0.690051	0.840814	0.745915	0.097*	0.6499
C12A	0.6398 (6)	0.5124 (11)	0.7483 (7)	0.078 (6)	0.6499
C335	0.5970 (7)	0.9856 (15)	0.6098 (6)	0.092 (6)
H335	0.572339	1.022366	0.601015	0.110*
C313	0.6922 (7)	1.1250 (12)	1.0168 (6)	0.090 (6)
H313	0.674256	1.102522	0.993205	0.108*
C331	0.4964 (10)	1.1843 (16)	0.6602 (8)	0.119 (8)
H331	0.516064	1.178533	0.642775	0.142*
C1A	0.6830 (7)	0.8232 (13)	0.8029 (7)	0.079 (7)	0.6499
H1A	0.684963	0.884465	0.809819	0.095*	0.6499
C2A	0.6762 (8)	0.7606 (13)	0.8308 (7)	0.083 (7)	0.6499
H2A	0.672195	0.779108	0.856241	0.100*	0.6499
C368	0.6840 (12)	0.3628 (18)	0.1380 (9)	0.142 (12)
H368	0.707047	0.321342	0.145231	0.171*
C11A	0.6360 (9)	0.4208 (13)	0.7413 (9)	0.102 (9)	0.6499
H11A	0.610119	0.397230	0.725497	0.122*	0.6499
C369	0.6569 (10)	0.377 (2)	0.1623 (8)	0.136 (11)
H369	0.660654	0.343523	0.186317	0.164*
C8A	0.7104 (7)	0.4884 (11)	0.7901 (7)	0.083 (7)	0.6499
C10A	0.6698 (9)	0.3641 (14)	0.7574 (8)	0.101 (9)	0.6499
H10A	0.667900	0.302552	0.751010	0.122*	0.6499
C14A	0.7825 (9)	0.470 (2)	0.8296 (10)	0.096 (10)	0.6499
H14A	0.790083	0.437777	0.807193	0.145*	0.6499
H14B	0.775559	0.427539	0.848937	0.145*	0.6499
H14C	0.807078	0.507094	0.842293	0.145*	0.6499
C9A	0.7063 (9)	0.3971 (13)	0.7828 (8)	0.097 (8)	0.6499
H9A	0.728509	0.357598	0.795311	0.117*	0.6499
C13A	0.6899 (11)	0.6759 (17)	0.7142 (7)	0.094 (8)	0.6499
H13A	0.706661	0.619651	0.716765	0.113*	0.6499
H13B	0.660589	0.663149	0.698379	0.113*	0.6499
C359	0.580 (3)	0.204 (3)	0.2962 (13)	0.111 (14)	0.30 (3)
H359	0.592565	0.146269	0.296361	0.133*	0.30 (3)
C358	0.576 (3)	0.253 (2)	0.2631 (13)	0.105 (13)	0.30 (3)
H358	0.579797	0.227993	0.238826	0.125*	0.30 (3)
C15A	0.5690 (8)	0.538 (2)	0.7095 (13)	0.139 (15)	0.6499
H15A	0.576386	0.498297	0.689304	0.208*	0.6499
H15B	0.550902	0.586928	0.696486	0.208*	0.6499
H15C	0.552961	0.504581	0.726349	0.208*	0.6499
I410	0.60446 (17)	0.0057 (3)	0.36599 (18)	0.0993 (14)	0.5
Zn45	0.57044 (17)	0.1523 (4)	0.37972 (15)	0.062 (2)	0.5
I409	0.49826 (15)	0.1663 (5)	0.40088 (14)	0.110 (2)	0.5
I404	0.58470 (17)	0.5059 (4)	0.8509 (2)	0.0782 (15)	0.4782
Zn42	0.5537 (4)	0.6532 (6)	0.8699 (3)	0.131 (7)	0.4782
I403	0.4872 (4)	0.6784 (9)	0.8982 (3)	0.190 (6)	0.4782
I408	0.93849 (15)	0.0350 (4)	0.6287 (2)	0.0996 (17)	0.488 (3)
Zn44	0.91086 (16)	0.1460 (5)	0.6740 (2)	0.058 (2)	0.488 (3)
I407	0.8793 (3)	0.1051 (6)	0.7334 (3)	0.169 (4)	0.488 (3)
I402	0.9357 (3)	0.5223 (5)	1.1202 (3)	0.166 (4)	0.4922
Zn41	0.9019 (5)	0.6290 (12)	1.1636 (4)	0.113 (7)	0.4922
I401	0.8715 (3)	0.5934 (9)	1.2235 (3)	0.169 (5)	0.4922
I306	0.6697 (3)	0.9594 (5)	0.4910 (2)	0.157 (4)	0.4615
Zn33	0.7033 (3)	0.9037 (5)	0.5598 (3)	0.059 (2)	0.4615
I305	0.7803 (3)	0.9503 (5)	0.5956 (4)	0.233 (6)	0.4615
I504	0.5668 (19)	0.514 (4)	0.872 (2)	0.080*	0.0325
Zn52	0.537 (3)	0.666 (5)	0.884 (3)	0.080*	0.0325
I503	0.4706 (16)	0.667 (3)	0.9147 (15)	0.080*	0.0325
I412	0.6813 (4)	0.4660 (5)	−0.0060 (3)	0.240 (6)	0.4484
I411	0.7874 (4)	0.4296 (6)	0.0993 (4)	0.264 (6)	0.4484
Zn46	0.7134 (7)	0.3883 (9)	0.0595 (5)	0.197 (9)	0.4484
I502	0.9042 (12)	0.504 (2)	1.1502 (10)	0.080*	0.038
I501	0.8571 (15)	0.622 (3)	1.2461 (14)	0.080*	0.038
Zn51	0.879 (2)	0.641 (6)	1.186 (2)	0.080*	0.038
I506	0.6730 (4)	0.9658 (11)	0.4942 (6)	0.080*	0.1786
I505	0.7759 (7)	0.9603 (14)	0.5927 (6)	0.080*	0.1786
Zn53	0.7121 (13)	0.899 (3)	0.5639 (13)	0.080*	0.1786
C803	0.6697 (19)	0.187 (3)	0.5935 (15)	0.138 (19)	0.3154
H80A	0.688660	0.186584	0.573907	0.166*	0.3154
H80B	0.664475	0.124488	0.600442	0.166*	0.3154
C804	0.626 (2)	0.231 (3)	0.5752 (11)	0.136 (19)	0.3154
H80C	0.611494	0.196328	0.551941	0.164*	0.3154
H80D	0.631806	0.291754	0.565744	0.164*	0.3154
C805	0.5967 (17)	0.238 (3)	0.6055 (15)	0.141 (19)	0.3154
H80E	0.569701	0.269816	0.593229	0.169*	0.3154
H80F	0.588850	0.177787	0.612919	0.169*	0.3154
C806	0.619 (2)	0.288 (3)	0.6430 (15)	0.15 (2)	0.3154
H80G	0.600278	0.289042	0.662604	0.183*	0.3154
H80H	0.624567	0.350895	0.636057	0.183*	0.3154
C801	0.663 (2)	0.244 (4)	0.6614 (11)	0.16 (2)	0.3154
H80I	0.657094	0.183385	0.670764	0.186*	0.3154
H80J	0.677443	0.278700	0.684734	0.186*	0.3154
C802	0.6923 (17)	0.237 (4)	0.6311 (16)	0.15 (2)	0.3154
H80K	0.700171	0.297651	0.623747	0.184*	0.3154
H80L	0.719324	0.205554	0.643369	0.184*	0.3154
C810	0.909 (2)	0.336 (5)	0.4748 (14)	0.11 (2)	0.1823
H81A	0.878125	0.350496	0.470526	0.132*	0.1823
H81B	0.915983	0.319909	0.448773	0.132*	0.1823
C811	0.936 (2)	0.419 (5)	0.4907 (16)	0.11 (2)	0.1823
H81C	0.926209	0.470129	0.472601	0.135*	0.1823
H81D	0.966790	0.408499	0.491205	0.135*	0.1823
C812	0.930 (3)	0.443 (5)	0.5328 (18)	0.12 (2)	0.1823
H81E	0.949184	0.493491	0.543098	0.138*	0.1823
H81F	0.899549	0.462585	0.531556	0.138*	0.1823
C807	0.940 (2)	0.364 (6)	0.5612 (13)	0.12 (2)	0.1823
H80M	0.971424	0.349804	0.565286	0.139*	0.1823
H80N	0.933715	0.380065	0.587319	0.139*	0.1823
C808	0.914 (2)	0.281 (5)	0.5453 (18)	0.12 (2)	0.1823
H80O	0.882745	0.291659	0.544963	0.142*	0.1823
H80P	0.923369	0.229980	0.563324	0.142*	0.1823
C809	0.919 (3)	0.257 (5)	0.503 (2)	0.12 (2)	0.1823
H80Q	0.949348	0.236391	0.504196	0.145*	0.1823
H80R	0.899478	0.207056	0.492839	0.145*	0.1823
C3	0.6048 (10)	0.252 (2)	0.3165 (10)	0.105 (9)	0.70 (3)
H3	0.631766	0.231345	0.331326	0.126*	0.70 (3)
C1	0.6038 (9)	0.299 (2)	0.2832 (9)	0.099 (9)	0.70 (3)
H1	0.628489	0.300577	0.271329	0.119*	0.70 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I304	0.234 (10)	0.045 (3)	0.150 (7)	−0.011 (4)	−0.085 (6)	−0.004 (3)
I307	0.0437 (12)	0.086 (3)	0.128 (3)	0.0023 (14)	−0.0143 (15)	0.060 (3)
I308	0.229 (7)	0.056 (3)	0.244 (8)	0.034 (3)	−0.166 (6)	−0.058 (4)
I406	0.357 (14)	0.065 (4)	0.152 (6)	0.094 (6)	0.190 (9)	0.069 (4)
I310	0.394 (13)	0.041 (3)	0.196 (8)	0.024 (4)	−0.177 (7)	−0.008 (3)
I312	0.0944 (14)	0.0431 (11)	0.0816 (15)	0.0126 (10)	0.0307 (11)	0.0109 (10)
I405	0.080 (2)	0.0262 (19)	0.108 (5)	−0.0036 (14)	0.002 (3)	0.014 (2)
I303	0.080 (2)	0.115 (3)	0.074 (3)	−0.032 (2)	0.0194 (19)	−0.003 (2)
I301	0.070 (2)	0.079 (3)	0.094 (3)	−0.0118 (19)	−0.0247 (16)	0.035 (2)
I309	0.262 (10)	0.207 (13)	0.153 (7)	−0.101 (9)	−0.068 (6)	−0.025 (7)
I311	0.0823 (13)	0.0472 (14)	0.1148 (19)	−0.0055 (11)	−0.0060 (13)	−0.0124 (12)
I302	0.095 (2)	0.0320 (17)	0.121 (3)	0.0004 (14)	−0.033 (2)	−0.0087 (16)
Zn34	0.190 (11)	0.048 (7)	0.175 (13)	0.005 (6)	−0.100 (8)	0.013 (7)
Zn32	0.054 (3)	0.068 (7)	0.047 (5)	−0.008 (3)	−0.010 (3)	0.013 (4)
Zn35	0.222 (15)	0.077 (10)	0.124 (11)	−0.018 (9)	−0.043 (10)	0.040 (7)
Zn31	0.057 (4)	0.037 (4)	0.093 (6)	−0.008 (3)	−0.037 (3)	0.010 (4)
Zn43	0.38 (3)	0.028 (9)	0.27 (2)	0.020 (11)	0.06 (2)	0.018 (10)
Zn36	0.071 (2)	0.042 (3)	0.074 (3)	0.0043 (18)	0.020 (2)	−0.005 (2)
N309	0.089 (9)	0.026 (6)	0.078 (8)	0.009 (5)	−0.024 (7)	0.002 (5)
N316	0.077 (8)	0.026 (5)	0.074 (8)	−0.003 (5)	−0.013 (6)	0.011 (5)
N314	0.080 (8)	0.036 (6)	0.076 (8)	0.009 (6)	−0.028 (7)	0.006 (6)
N323	0.070 (8)	0.060 (9)	0.077 (9)	−0.010 (7)	−0.028 (7)	0.002 (7)
N321	0.082 (8)	0.050 (7)	0.065 (8)	0.006 (6)	−0.005 (6)	0.005 (6)
N315	0.082 (8)	0.032 (6)	0.073 (8)	0.006 (6)	−0.017 (6)	0.010 (5)
N317	0.079 (8)	0.020 (5)	0.109 (10)	−0.003 (5)	−0.042 (8)	0.006 (6)
N308	0.091 (10)	0.050 (8)	0.063 (8)	0.002 (7)	−0.017 (7)	−0.009 (6)
N313	0.115 (12)	0.050 (8)	0.076 (9)	−0.003 (8)	−0.002 (8)	0.004 (7)
N310	0.088 (10)	0.054 (8)	0.074 (9)	−0.004 (7)	−0.017 (8)	−0.003 (7)
N307	0.089 (10)	0.071 (10)	0.057 (8)	0.011 (8)	−0.012 (7)	0.014 (7)
N312	0.124 (13)	0.051 (8)	0.087 (10)	0.003 (9)	0.010 (10)	0.009 (8)
N319	0.096 (10)	0.045 (7)	0.073 (8)	0.008 (7)	−0.030 (8)	0.008 (6)
N304	0.088 (9)	0.039 (7)	0.083 (9)	0.002 (6)	−0.024 (7)	0.007 (6)
N302	0.082 (9)	0.042 (7)	0.086 (9)	−0.008 (6)	−0.024 (7)	0.013 (6)
N322	0.085 (9)	0.062 (9)	0.070 (8)	0.002 (7)	0.001 (7)	0.010 (7)
N303	0.080 (9)	0.055 (8)	0.086 (9)	−0.010 (7)	−0.013 (7)	0.006 (7)
C324	0.084 (11)	0.042 (8)	0.058 (9)	−0.007 (7)	−0.024 (8)	0.000 (6)
N320	0.119 (12)	0.055 (9)	0.076 (9)	0.020 (8)	0.008 (9)	0.011 (7)
N318	0.112 (11)	0.040 (7)	0.079 (9)	−0.009 (7)	−0.047 (8)	0.016 (6)
N311	0.090 (11)	0.076 (12)	0.100 (12)	0.011 (9)	−0.023 (9)	0.003 (10)
C325	0.073 (10)	0.052 (9)	0.065 (9)	−0.004 (7)	−0.019 (8)	−0.001 (7)
C352	0.077 (9)	0.032 (7)	0.077 (10)	−0.006 (6)	−0.019 (8)	0.011 (6)
C339	0.076 (9)	0.024 (6)	0.066 (8)	0.010 (6)	−0.012 (7)	0.010 (6)
C321	0.088 (10)	0.018 (6)	0.068 (9)	0.006 (6)	−0.022 (8)	0.002 (6)
N305	0.100 (11)	0.057 (9)	0.100 (11)	0.005 (8)	−0.004 (9)	−0.004 (8)
C361	0.065 (9)	0.063 (10)	0.063 (9)	0.003 (7)	−0.013 (8)	0.012 (8)
N301	0.096 (10)	0.039 (7)	0.111 (11)	−0.015 (7)	−0.032 (9)	0.007 (7)
C343	0.064 (8)	0.032 (7)	0.072 (9)	−0.006 (6)	−0.018 (7)	0.022 (6)
C345	0.075 (9)	0.025 (6)	0.084 (10)	−0.003 (6)	−0.018 (8)	0.009 (6)
C342	0.072 (9)	0.040 (8)	0.076 (10)	−0.007 (7)	−0.007 (8)	0.005 (7)
C327	0.087 (11)	0.035 (8)	0.082 (11)	0.012 (7)	−0.008 (9)	0.002 (7)
N306	0.109 (11)	0.054 (9)	0.082 (9)	−0.002 (8)	−0.020 (8)	0.018 (7)
C360	0.086 (11)	0.066 (11)	0.064 (10)	0.011 (9)	0.006 (9)	0.007 (8)
O2A	0.136 (15)	0.039 (9)	0.077 (11)	0.029 (9)	0.007 (10)	0.014 (8)
C308	0.080 (10)	0.048 (9)	0.085 (11)	−0.002 (8)	−0.008 (9)	0.021 (8)
O3A	0.096 (12)	0.053 (10)	0.116 (14)	−0.025 (9)	0.019 (11)	−0.014 (10)
C363	0.073 (9)	0.043 (8)	0.059 (9)	−0.004 (7)	−0.021 (7)	0.003 (6)
C349	0.084 (11)	0.034 (8)	0.110 (13)	−0.001 (7)	−0.039 (10)	−0.005 (8)
C344	0.066 (8)	0.044 (8)	0.066 (9)	−0.011 (6)	−0.023 (7)	0.012 (6)
C357	0.098 (12)	0.039 (8)	0.068 (10)	0.008 (8)	0.002 (9)	0.003 (7)
C334	0.083 (11)	0.062 (10)	0.069 (10)	0.004 (8)	−0.012 (9)	0.006 (8)
C316	0.094 (12)	0.054 (10)	0.080 (11)	−0.024 (9)	−0.019 (9)	0.011 (8)
C353	0.091 (11)	0.041 (8)	0.081 (10)	−0.009 (8)	−0.032 (9)	0.000 (7)
C306	0.076 (10)	0.045 (9)	0.079 (10)	−0.004 (7)	−0.011 (8)	0.020 (7)
C322	0.079 (11)	0.081 (13)	0.084 (12)	0.010 (9)	−0.020 (9)	0.019 (10)
C329	0.109 (14)	0.040 (9)	0.090 (12)	−0.004 (9)	−0.026 (10)	−0.011 (8)
C320	0.128 (16)	0.046 (9)	0.068 (10)	0.029 (10)	−0.007 (11)	0.007 (8)
C348	0.079 (11)	0.047 (9)	0.116 (14)	0.010 (8)	−0.047 (10)	0.003 (9)
C328	0.116 (15)	0.045 (9)	0.077 (11)	0.010 (9)	−0.023 (11)	0.012 (8)
C365	0.075 (10)	0.068 (11)	0.074 (11)	−0.002 (8)	−0.009 (8)	−0.011 (9)
C323	0.084 (12)	0.057 (10)	0.093 (13)	−0.004 (9)	−0.050 (11)	0.019 (9)
C307	0.092 (11)	0.033 (8)	0.093 (12)	−0.006 (7)	−0.014 (9)	0.009 (7)
N324	0.137 (16)	0.093 (13)	0.096 (13)	0.019 (12)	0.045 (12)	0.011 (10)
C356	0.088 (13)	0.094 (16)	0.120 (17)	0.027 (12)	−0.010 (13)	0.042 (13)
C337	0.093 (12)	0.054 (10)	0.076 (11)	0.000 (8)	−0.021 (9)	0.011 (8)
C338	0.072 (10)	0.068 (11)	0.095 (13)	0.000 (8)	−0.015 (9)	0.001 (9)
C326	0.083 (11)	0.075 (12)	0.056 (9)	0.003 (9)	−0.031 (8)	0.002 (8)
C333	0.120 (16)	0.097 (16)	0.075 (12)	0.028 (13)	0.017 (12)	0.031 (11)
C304	0.088 (12)	0.046 (9)	0.110 (14)	0.005 (8)	−0.023 (10)	−0.011 (9)
C354	0.100 (13)	0.056 (10)	0.078 (11)	−0.010 (9)	−0.018 (10)	0.009 (8)
C319	0.124 (16)	0.049 (10)	0.096 (13)	0.024 (10)	0.017 (11)	0.022 (9)
C341	0.133 (16)	0.043 (9)	0.080 (11)	0.020 (10)	−0.026 (11)	0.018 (8)
C309	0.087 (11)	0.074 (12)	0.066 (10)	0.000 (9)	−0.010 (9)	0.015 (8)
C346	0.105 (13)	0.022 (7)	0.107 (13)	−0.002 (7)	−0.013 (10)	−0.003 (7)
C351	0.097 (12)	0.038 (8)	0.110 (13)	−0.004 (8)	−0.063 (11)	−0.010 (8)
C315	0.106 (13)	0.037 (8)	0.098 (13)	0.004 (8)	−0.023 (10)	0.016 (8)
C340	0.105 (13)	0.047 (9)	0.074 (10)	−0.002 (8)	−0.018 (9)	0.003 (8)
C314	0.099 (13)	0.064 (11)	0.090 (12)	−0.003 (10)	−0.025 (10)	0.007 (9)
C366	0.118 (15)	0.038 (9)	0.112 (15)	0.030 (9)	0.014 (13)	0.041 (9)
C364	0.088 (12)	0.064 (11)	0.076 (11)	0.001 (9)	−0.007 (9)	0.013 (9)
C317	0.109 (14)	0.048 (10)	0.112 (15)	0.011 (9)	−0.039 (12)	0.016 (9)
C336	0.108 (15)	0.098 (16)	0.070 (12)	0.003 (13)	−0.021 (11)	0.011 (11)
C303	0.089 (11)	0.042 (8)	0.091 (12)	−0.002 (8)	−0.035 (9)	0.019 (8)
C332	0.122 (17)	0.060 (12)	0.112 (16)	0.025 (11)	−0.001 (14)	0.026 (11)
C318	0.109 (14)	0.043 (10)	0.130 (16)	0.004 (9)	−0.059 (13)	0.031 (10)
C362	0.119 (16)	0.086 (15)	0.070 (11)	0.016 (12)	0.003 (11)	−0.005 (10)
C4A	0.082 (13)	0.023 (9)	0.097 (15)	0.009 (9)	0.011 (12)	−0.006 (10)
O1A	0.081 (11)	0.073 (12)	0.105 (14)	0.011 (9)	−0.005 (10)	0.046 (11)
C355	0.090 (13)	0.105 (17)	0.107 (16)	−0.001 (12)	−0.004 (12)	0.039 (13)
C3A	0.047 (10)	0.048 (12)	0.088 (14)	0.010 (9)	−0.020 (10)	0.001 (11)
C370	0.100 (14)	0.093 (15)	0.077 (12)	0.017 (11)	0.012 (10)	−0.012 (11)
C350	0.094 (13)	0.049 (10)	0.125 (16)	−0.005 (9)	−0.038 (12)	−0.008 (10)
C347	0.097 (13)	0.058 (11)	0.107 (14)	−0.002 (9)	−0.054 (11)	0.000 (10)
C312	0.107 (15)	0.067 (12)	0.107 (15)	0.024 (11)	0.001 (12)	0.030 (11)
C367	0.107 (14)	0.067 (12)	0.084 (12)	0.007 (10)	0.002 (10)	0.009 (9)
C305	0.091 (12)	0.044 (9)	0.117 (15)	0.000 (8)	−0.033 (11)	0.012 (9)
C7A	0.122 (16)	0.022 (10)	0.081 (14)	0.012 (10)	0.017 (13)	0.008 (9)
C310	0.124 (16)	0.040 (9)	0.104 (14)	−0.011 (9)	−0.042 (12)	−0.002 (9)
C372	0.15 (2)	0.13 (2)	0.097 (17)	0.018 (19)	0.045 (17)	0.032 (16)
C5A	0.074 (13)	0.047 (12)	0.100 (15)	−0.007 (10)	0.000 (12)	0.005 (11)
C302	0.151 (18)	0.033 (8)	0.128 (16)	0.000 (10)	−0.099 (15)	0.009 (9)
C311	0.121 (16)	0.054 (11)	0.101 (14)	−0.005 (10)	−0.006 (12)	0.004 (10)
C371	0.15 (2)	0.075 (14)	0.113 (17)	0.022 (14)	0.057 (16)	0.019 (12)
C301	0.131 (18)	0.062 (13)	0.15 (2)	−0.011 (12)	−0.079 (16)	−0.010 (12)
C330	0.17 (2)	0.040 (11)	0.17 (3)	0.037 (13)	0.00 (2)	0.050 (14)
C6A	0.061 (12)	0.029 (10)	0.136 (19)	−0.009 (9)	−0.018 (13)	0.017 (12)
C12A	0.131 (17)	0.020 (9)	0.091 (15)	−0.023 (11)	0.041 (13)	−0.008 (10)
C335	0.099 (14)	0.095 (15)	0.075 (12)	0.014 (12)	0.003 (11)	0.018 (11)
C313	0.114 (14)	0.052 (10)	0.087 (12)	0.002 (10)	−0.021 (11)	0.005 (9)
C331	0.16 (2)	0.086 (16)	0.111 (17)	0.023 (15)	0.025 (16)	0.029 (14)
C1A	0.050 (11)	0.044 (12)	0.121 (18)	−0.012 (9)	−0.031 (12)	−0.016 (12)
C2A	0.062 (12)	0.071 (15)	0.099 (17)	−0.004 (12)	−0.023 (12)	−0.032 (13)
C368	0.23 (3)	0.095 (18)	0.12 (2)	0.07 (2)	0.08 (2)	0.028 (16)
C11A	0.15 (2)	0.066 (16)	0.103 (18)	−0.024 (16)	0.058 (17)	−0.014 (14)
C369	0.16 (2)	0.16 (3)	0.106 (18)	0.08 (2)	0.049 (17)	0.044 (17)
C8A	0.138 (18)	0.039 (11)	0.076 (14)	0.016 (12)	0.031 (14)	0.017 (10)
C10A	0.18 (3)	0.041 (13)	0.101 (19)	−0.024 (15)	0.060 (18)	−0.004 (13)
C14A	0.12 (2)	0.072 (19)	0.10 (2)	0.047 (17)	0.027 (18)	0.026 (16)
C9A	0.17 (2)	0.048 (14)	0.083 (16)	0.027 (15)	0.033 (16)	0.022 (12)
C13A	0.111 (19)	0.067 (17)	0.102 (19)	−0.010 (15)	0.019 (16)	0.017 (15)
C359	0.11 (3)	0.11 (3)	0.10 (3)	0.02 (2)	0.00 (2)	0.02 (2)
C358	0.10 (3)	0.11 (3)	0.10 (3)	0.03 (2)	0.02 (2)	0.03 (2)
C15A	0.08 (2)	0.09 (3)	0.24 (4)	−0.016 (18)	0.00 (2)	−0.02 (3)
I410	0.138 (3)	0.043 (2)	0.083 (2)	0.0011 (18)	−0.056 (2)	−0.0029 (16)
Zn45	0.076 (4)	0.045 (5)	0.046 (4)	−0.023 (3)	−0.031 (3)	0.000 (3)
I409	0.095 (3)	0.171 (7)	0.062 (3)	−0.074 (4)	0.012 (2)	−0.012 (3)
I404	0.0738 (19)	0.049 (2)	0.091 (3)	−0.0087 (15)	−0.033 (2)	0.0001 (17)
Zn42	0.189 (13)	0.041 (7)	0.123 (13)	−0.024 (7)	−0.065 (8)	0.014 (6)
I403	0.231 (10)	0.161 (8)	0.153 (8)	−0.067 (6)	−0.017 (7)	0.032 (6)
I408	0.0744 (19)	0.047 (2)	0.159 (4)	0.0060 (15)	−0.017 (2)	−0.035 (2)
Zn44	0.031 (2)	0.037 (4)	0.089 (5)	−0.005 (2)	−0.027 (3)	0.004 (3)
I407	0.194 (7)	0.080 (4)	0.187 (7)	−0.008 (4)	−0.069 (5)	0.052 (4)
I402	0.167 (5)	0.069 (4)	0.225 (9)	−0.003 (3)	−0.042 (6)	−0.029 (4)
Zn41	0.101 (10)	0.059 (7)	0.149 (11)	−0.010 (6)	−0.047 (6)	0.025 (6)
I401	0.163 (9)	0.113 (5)	0.192 (8)	−0.015 (6)	−0.056 (6)	0.075 (5)
I306	0.228 (7)	0.076 (5)	0.139 (5)	0.054 (4)	−0.030 (4)	0.052 (4)
Zn33	0.078 (6)	0.028 (4)	0.071 (4)	0.013 (3)	0.017 (4)	0.018 (3)
I305	0.279 (10)	0.046 (3)	0.396 (14)	−0.055 (4)	0.121 (9)	−0.057 (4)
I412	0.447 (16)	0.106 (5)	0.214 (9)	0.120 (8)	0.181 (10)	0.084 (5)
I411	0.352 (15)	0.119 (7)	0.362 (16)	−0.115 (8)	0.170 (12)	−0.089 (8)
Zn46	0.35 (2)	0.045 (6)	0.210 (17)	−0.013 (10)	0.094 (16)	0.000 (8)
C803	0.27 (6)	0.05 (3)	0.11 (3)	−0.07 (3)	0.07 (3)	−0.02 (2)
C804	0.28 (6)	0.03 (2)	0.11 (3)	−0.06 (3)	0.08 (3)	−0.02 (2)
C805	0.29 (6)	0.04 (2)	0.11 (3)	−0.05 (3)	0.08 (3)	−0.02 (2)
C806	0.29 (6)	0.06 (3)	0.12 (3)	−0.07 (3)	0.08 (3)	−0.03 (2)
C801	0.29 (6)	0.08 (3)	0.11 (3)	−0.08 (3)	0.07 (3)	−0.03 (2)
C802	0.29 (6)	0.07 (3)	0.11 (3)	−0.08 (3)	0.07 (3)	−0.04 (2)
C810	0.06 (3)	0.21 (6)	0.06 (3)	0.00 (3)	−0.01 (3)	−0.04 (3)
C811	0.07 (3)	0.21 (6)	0.05 (3)	0.00 (3)	0.00 (2)	−0.04 (3)
C812	0.08 (3)	0.21 (6)	0.05 (3)	0.00 (4)	0.00 (3)	−0.04 (3)
C807	0.06 (3)	0.22 (7)	0.06 (3)	0.00 (3)	0.01 (3)	−0.03 (3)
C808	0.05 (3)	0.22 (6)	0.07 (3)	0.00 (3)	0.00 (3)	−0.02 (3)
C809	0.06 (3)	0.22 (6)	0.07 (3)	0.00 (3)	−0.01 (3)	−0.03 (3)
C3	0.090 (17)	0.11 (2)	0.111 (19)	0.040 (15)	0.005 (15)	0.047 (16)
C1	0.083 (16)	0.11 (2)	0.093 (17)	0.030 (15)	0.002 (13)	0.034 (15)

Geometric parameters (Å, º)

I304—Zn32	2.534 (9)	C333—C332	1.41 (3)
I307—Zn34	2.507 (11)	C304—H304	0.9500
I308—Zn34	2.539 (11)	C304—C303	1.36 (2)
I406—Zn43	2.510 (17)	C304—C305	1.40 (2)
I310—Zn35	2.520 (12)	C354—H354	0.9500
I312—Zn36	2.526 (8)	C319—H319	0.9500
I405—Zn43	2.575 (18)	C341—H341	0.9500
I303—Zn32	2.511 (5)	C341—C340	1.37 (2)
I301—Zn31	2.481 (12)	C309—C310	1.33 (2)
I309—Zn35	2.518 (12)	C309—C313	1.37 (2)
I311—Zn36	2.532 (6)	C346—H346	0.9500
I302—Zn31	2.536 (9)	C346—C347	1.40 (2)
Zn34—N323^i	2.16 (2)	C351—H351	0.9500
Zn34—N317	2.045 (14)	C351—C350	1.36 (2)
Zn32—N307	2.061 (15)	C315—H315	0.9500
Zn32—N306	2.060 (16)	C315—C314	1.39 (2)
Zn35—N319	2.059 (18)	C340—H340	0.9500
Zn35—N318	2.109 (16)	C314—H314	0.9500
Zn31—N311^ii	2.15 (3)	C366—H366	0.9500
Zn31—N301	2.076 (16)	C366—C367	1.37 (3)
Zn43—N313	2.102 (19)	C364—H364	0.9500
Zn43—N312	2.04 (2)	C317—H317	0.9500
Zn36—N305^iii	2.112 (17)	C317—C318	1.38 (3)
Zn36—N324	2.08 (2)	C336—H336	0.9500
N309—C324	1.35 (2)	C336—C335	1.33 (3)
N309—C325	1.34 (2)	C303—C302	1.39 (2)
N316—C343	1.299 (18)	C332—H332	0.9500
N316—C344	1.325 (18)	C318—H318	0.9500
N314—C342	1.334 (19)	C362—C370	1.47 (3)
N314—C344	1.313 (19)	C4A—C3A	1.392 (15)
N323—C365	1.33 (2)	C4A—C7A	1.512 (16)
N323—C366	1.32 (2)	C4A—C5A	1.398 (15)
N323—Zn44^iv	2.046 (16)	O1A—H1AA	0.8400
N321—C361	1.33 (2)	O1A—C13A	1.414 (17)
N321—C360	1.37 (2)	C355—H355	0.9500
N315—C343	1.315 (19)	C3A—H3A	0.9500
N315—C342	1.340 (19)	C3A—C2A	1.387 (15)
N317—C348	1.33 (2)	C370—C371	1.35 (3)
N317—C347	1.35 (2)	C370—C369	1.41 (3)
N317—Zn44	2.079 (12)	C350—H350	0.9500
N308—C324	1.31 (2)	C347—H347	0.9500
N308—C326	1.33 (2)	C312—H312	0.9500
N313—C337	1.28 (2)	C312—C313	1.44 (3)
N313—C341	1.30 (2)	C367—H367	0.9500
N313—Zn33	2.126 (17)	C305—H305	0.9500
N313—Zn53	2.05 (4)	C7A—C12A	1.394 (15)
N310—C325	1.33 (2)	C7A—C8A	1.400 (15)
N310—C326	1.34 (2)	C310—H310	0.9500
N307—C323	1.31 (3)	C310—C311	1.36 (3)
N307—C319	1.31 (2)	C372—H372	0.9500
N307—Zn42	2.081 (17)	C372—C371	1.36 (3)
N307—Zn52	2.51 (10)	C5A—C6A	1.396 (15)
N312—C336	1.32 (3)	C5A—C13A	1.511 (18)
N312—C332	1.30 (3)	C302—H302	0.9500
N312—Zn33	2.04 (2)	C302—C301	1.41 (3)
N312—Zn53	2.18 (5)	C311—H311	0.9500
N319—C355	1.29 (3)	C371—H371	0.9500
N319—C359	1.38 (4)	C301—H301	0.9500
N319—Zn45	2.096 (15)	C330—H330	0.9500
N319—C3	1.38 (3)	C330—C331	1.42 (3)
N304—C308	1.31 (2)	C6A—H6A	0.9500
N304—C307	1.29 (2)	C6A—C1A	1.386 (15)
N302—C308	1.33 (2)	C12A—C11A	1.398 (16)
N302—C306	1.33 (2)	C335—H335	0.9500
N322—C361	1.29 (2)	C313—H313	0.9500
N322—C362	1.36 (2)	C331—H331	0.9500
N303—C306	1.36 (2)	C1A—H1A	0.9500
N303—C307	1.35 (2)	C1A—C2A	1.391 (15)
C324—C321	1.49 (2)	C2A—H2A	0.9500
N320—C360	1.29 (2)	C368—H368	0.9500
N320—C362	1.33 (3)	C368—C369	1.33 (3)
N318—C354	1.30 (2)	C11A—H11A	0.9500
N318—C350	1.37 (2)	C11A—C10A	1.387 (16)
N318—Zn45	2.058 (13)	C369—H369	0.9500
N311—C329	1.29 (3)	C8A—C9A	1.395 (16)
N311—C330	1.28 (3)	C10A—H10A	0.9500
N311—Zn41^v	1.96 (3)	C10A—C9A	1.385 (16)
N311—Zn51^v	2.40 (8)	C14A—H14A	0.9800
C325—C327	1.48 (2)	C14A—H14B	0.9800
C352—C344	1.487 (19)	C14A—H14C	0.9800
C352—C353	1.36 (2)	C9A—H9A	0.9500
C352—C351	1.35 (2)	C13A—H13A	0.9900
C339—C342	1.520 (19)	C13A—H13B	0.9900
C339—C338	1.34 (2)	C359—H359	0.9500
C339—C340	1.37 (2)	C359—C358	1.34 (4)
C321—C322	1.36 (2)	C358—H358	0.9500
C321—C320	1.36 (3)	C15A—H15A	0.9800
N305—C312	1.30 (3)	C15A—H15B	0.9800
N305—C311	1.29 (2)	C15A—H15C	0.9800
N305—Zn46^vi	2.10 (2)	I410—Zn45	2.536 (7)
C361—C363	1.50 (2)	Zn45—I409	2.535 (6)
N301—C305	1.36 (2)	I404—Zn42	2.559 (10)
N301—C301	1.27 (3)	Zn42—I403	2.512 (12)
N301—Zn41	2.082 (18)	I408—Zn44	2.553 (7)
N301—Zn51	2.24 (8)	Zn44—I407	2.523 (9)
C343—C345	1.507 (18)	I402—Zn41	2.565 (12)
C345—C349	1.35 (2)	Zn41—I401	2.499 (13)
C345—C346	1.37 (2)	I306—Zn33	2.527 (10)
C327—C328	1.37 (3)	Zn33—I305	2.583 (13)
C327—C331	1.37 (3)	I504—Zn52	2.548 (18)
N306—C314	1.36 (2)	Zn52—I503	2.508 (19)
N306—C318	1.34 (2)	I412—Zn46	2.55 (2)
N306—Zn42	2.025 (18)	I411—Zn46	2.53 (2)
N306—Zn52	2.18 (10)	I502—Zn51	2.60 (9)
C360—C357	1.43 (2)	I501—Zn51	2.33 (9)
O2A—C8A	1.380 (14)	I506—Zn53	2.65 (4)
O2A—C14A	1.431 (17)	I505—Zn53	2.25 (5)
C308—C316	1.51 (2)	C803—H80A	0.9900
O3A—C12A	1.380 (14)	C803—H80B	0.9900
O3A—C15A	1.426 (17)	C803—C804	1.536 (13)
C363—C364	1.34 (3)	C803—C802	1.538 (13)
C363—C367	1.41 (2)	C804—H80C	0.9900
C349—H349	0.9500	C804—H80D	0.9900
C349—C348	1.38 (2)	C804—C805	1.537 (13)
C357—C356	1.30 (3)	C805—H80E	0.9900
C357—C358	1.45 (3)	C805—H80F	0.9900
C357—C1	1.45 (3)	C805—C806	1.536 (13)
C334—C326	1.47 (3)	C806—H80G	0.9900
C334—C333	1.32 (3)	C806—H80H	0.9900
C334—C335	1.37 (3)	C806—C801	1.538 (13)
C316—C315	1.34 (2)	C801—H80I	0.9900
C316—C317	1.40 (2)	C801—H80J	0.9900
C353—H353	0.9500	C801—C802	1.538 (13)
C353—C354	1.37 (2)	C802—H80K	0.9900
C306—C303	1.49 (2)	C802—H80L	0.9900
C322—H322	0.9500	C810—H81A	0.9900
C322—C323	1.39 (3)	C810—H81B	0.9900
C329—H329	0.9500	C810—C811	1.534 (13)
C329—C328	1.44 (3)	C810—C809	1.534 (13)
C320—H320	0.9500	C811—H81C	0.9900
C320—C319	1.42 (3)	C811—H81D	0.9900
C348—H348	0.9500	C811—C812	1.537 (13)
C328—H328	0.9500	C812—H81E	0.9900
C365—H365	0.9500	C812—H81F	0.9900
C365—C364	1.37 (3)	C812—C807	1.536 (13)
C323—H323	0.9500	C807—H80M	0.9900
C307—C309	1.54 (2)	C807—H80N	0.9900
N324—C372	1.35 (3)	C807—C808	1.535 (13)
N324—C368	1.32 (3)	C808—H80O	0.9900
N324—Zn46	2.05 (3)	C808—H80P	0.9900
C356—H356	0.9500	C808—C809	1.536 (13)
C356—C355	1.42 (3)	C809—H80Q	0.9900
C337—H337	0.9500	C809—H80R	0.9900
C337—C338	1.40 (3)	C3—H3	0.9500
C338—H338	0.9500	C3—C1	1.34 (4)
C333—H333	0.9500	C1—H1	0.9500
I307—Zn34—I308	124.5 (5)	N312—C336—H336	117.3
N323^i—Zn34—I307	106.5 (6)	N312—C336—C335	125 (2)
N323^i—Zn34—I308	107.5 (7)	C335—C336—H336	117.3
N317—Zn34—I307	107.7 (7)	C304—C303—C306	121.9 (15)
N317—Zn34—I308	109.1 (6)	C304—C303—C302	121.3 (15)
N317—Zn34—N323^i	98.5 (7)	C302—C303—C306	116.8 (15)
I303—Zn32—I304	123.1 (4)	N312—C332—C333	123 (2)
N307—Zn32—I304	111.6 (6)	N312—C332—H332	118.4
N307—Zn32—I303	107.8 (6)	C333—C332—H332	118.4
N306—Zn32—I304	103.2 (6)	N306—C318—C317	123.7 (15)
N306—Zn32—I303	107.2 (6)	N306—C318—H318	118.2
N306—Zn32—N307	101.7 (6)	C317—C318—H318	118.2
I309—Zn35—I310	126.9 (6)	N322—C362—C370	116.5 (19)
N319—Zn35—I310	103.4 (7)	N320—C362—N322	123 (2)
N319—Zn35—I309	109.8 (7)	N320—C362—C370	120 (2)
N319—Zn35—N318	101.7 (7)	C3A—C4A—C7A	117.9 (16)
N318—Zn35—I310	106.7 (7)	C3A—C4A—C5A	120.7 (13)
N318—Zn35—I309	105.7 (7)	C5A—C4A—C7A	121.4 (16)
I301—Zn31—I302	126.3 (6)	C13A—O1A—H1AA	109.5
N311^ii—Zn31—I301	108.6 (8)	N319—C355—C356	120 (2)
N311^ii—Zn31—I302	104.6 (8)	N319—C355—H355	119.8
N301—Zn31—I301	106.4 (8)	C356—C355—H355	119.8
N301—Zn31—I302	111.1 (6)	C4A—C3A—H3A	119.9
N301—Zn31—N311^ii	95.5 (8)	C2A—C3A—C4A	120.1 (14)
I406—Zn43—I405	119.6 (7)	C2A—C3A—H3A	119.9
N313—Zn43—I406	109.4 (8)	C371—C370—C362	124 (2)
N313—Zn43—I405	109.3 (8)	C371—C370—C369	115 (2)
N312—Zn43—I406	107.3 (8)	C369—C370—C362	121 (2)
N312—Zn43—I405	106.8 (9)	N318—C350—H350	119.4
N312—Zn43—N313	103.2 (9)	C351—C350—N318	121.2 (17)
I312—Zn36—I311	122.2 (3)	C351—C350—H350	119.4
N305^iii—Zn36—I312	110.4 (5)	N317—C347—C346	120.1 (15)
N305^iii—Zn36—I311	106.1 (5)	N317—C347—H347	120.0
N324—Zn36—I312	104.4 (6)	C346—C347—H347	120.0
N324—Zn36—I311	110.1 (7)	N305—C312—H312	119.6
N324—Zn36—N305^iii	101.8 (8)	N305—C312—C313	120.7 (17)
C325—N309—C324	113.0 (16)	C313—C312—H312	119.6
C343—N316—C344	115.9 (12)	C363—C367—H367	121.0
C344—N314—C342	115.1 (12)	C366—C367—C363	118 (2)
C365—N323—Zn34^iv	122.5 (15)	C366—C367—H367	121.0
C365—N323—Zn44^iv	123.2 (15)	N301—C305—C304	120.8 (16)
C366—N323—Zn34^iv	118.8 (11)	N301—C305—H305	119.6
C366—N323—C365	118.6 (16)	C304—C305—H305	119.6
C366—N323—Zn44^iv	118.2 (11)	C12A—C7A—C4A	119.7 (16)
C361—N321—C360	114.1 (15)	C12A—C7A—C8A	119.7 (12)
C343—N315—C342	114.1 (12)	C8A—C7A—C4A	120.6 (16)
C348—N317—Zn34	120.0 (11)	C309—C310—H310	119.5
C348—N317—C347	118.5 (13)	C309—C310—C311	121.0 (19)
C348—N317—Zn44	122.0 (10)	C311—C310—H310	119.5
C347—N317—Zn34	121.4 (11)	N324—C372—H372	119.1
C347—N317—Zn44	119.4 (10)	N324—C372—C371	122 (2)
C324—N308—C326	115.2 (15)	C371—C372—H372	119.1
C337—N313—Zn43	120.5 (14)	C4A—C5A—C13A	119.3 (15)
C337—N313—C341	119.2 (16)	C6A—C5A—C4A	118.7 (13)
C337—N313—Zn33	123.2 (13)	C6A—C5A—C13A	121.9 (17)
C337—N313—Zn53	116.9 (17)	C303—C302—H302	123.3
C341—N313—Zn43	120.2 (13)	C303—C302—C301	113.3 (17)
C341—N313—Zn33	117.5 (12)	C301—C302—H302	123.3
C341—N313—Zn53	123.9 (17)	N305—C311—C310	123 (2)
C325—N310—C326	114.8 (16)	N305—C311—H311	118.6
C323—N307—Zn32	119.5 (12)	C310—C311—H311	118.6
C323—N307—C319	119.9 (16)	C370—C371—C372	121 (2)
C323—N307—Zn42	119.5 (12)	C370—C371—H371	119.6
C323—N307—Zn52	137.3 (17)	C372—C371—H371	119.6
C319—N307—Zn32	120.6 (15)	N301—C301—C302	128.2 (17)
C319—N307—Zn42	120.6 (15)	N301—C301—H301	115.9
C319—N307—Zn52	102.8 (19)	C302—C301—H301	115.9
C336—N312—Zn43	126.3 (16)	N311—C330—H330	117.6
C336—N312—Zn33	123.7 (15)	N311—C330—C331	125 (2)
C336—N312—Zn53	130.0 (18)	C331—C330—H330	117.6
C332—N312—Zn43	118.2 (17)	C5A—C6A—H6A	119.9
C332—N312—C336	115 (2)	C1A—C6A—C5A	120.3 (14)
C332—N312—Zn33	120.8 (16)	C1A—C6A—H6A	119.9
C332—N312—Zn53	114.4 (19)	O3A—C12A—C7A	116.3 (14)
C355—N319—Zn35	119.1 (16)	O3A—C12A—C11A	123.9 (16)
C355—N319—C359	106 (3)	C7A—C12A—C11A	119.7 (13)
C355—N319—Zn45	120.9 (16)	C334—C335—H335	120.6
C355—N319—C3	117.1 (18)	C336—C335—C334	119 (2)
C359—N319—Zn35	122.5 (18)	C336—C335—H335	120.6
C3—N319—Zn45	119.3 (13)	C309—C313—C312	117.5 (18)
C307—N304—C308	116.1 (14)	C309—C313—H313	121.3
C306—N302—C308	114.3 (15)	C312—C313—H313	121.3
C361—N322—C362	114.6 (16)	C327—C331—C330	117 (3)
C307—N303—C306	113.8 (14)	C327—C331—H331	121.4
N309—C324—C321	115.1 (17)	C330—C331—H331	121.4
N308—C324—N309	126.1 (15)	C6A—C1A—H1A	119.6
N308—C324—C321	118.7 (15)	C6A—C1A—C2A	120.8 (14)
C360—N320—C362	118.0 (17)	C2A—C1A—H1A	119.6
C354—N318—Zn35	125.5 (13)	C3A—C2A—C1A	119.4 (14)
C354—N318—C350	116.5 (15)	C3A—C2A—H2A	120.3
C354—N318—Zn45	123.8 (12)	C1A—C2A—H2A	120.3
C350—N318—Zn35	117.5 (12)	N324—C368—H368	119.6
C350—N318—Zn45	119.2 (11)	N324—C368—C369	121 (3)
Zn31^v—N311—Zn51^v	22.7 (19)	C369—C368—H368	119.6
C329—N311—Zn31^v	121.8 (18)	C12A—C11A—H11A	119.9
C329—N311—Zn41^v	128.0 (19)	C10A—C11A—C12A	120.3 (15)
C329—N311—Zn51^v	99 (3)	C10A—C11A—H11A	119.9
C330—N311—Zn31^v	118.7 (15)	C370—C369—H369	118.8
C330—N311—C329	119 (2)	C368—C369—C370	122 (2)
C330—N311—Zn41^v	112.4 (15)	C368—C369—H369	118.8
C330—N311—Zn51^v	140 (2)	O2A—C8A—C7A	116.8 (15)
Zn41^v—N311—Zn51^v	29 (2)	O2A—C8A—C9A	123.0 (16)
N309—C325—C327	117.7 (18)	C9A—C8A—C7A	120.0 (14)
N310—C325—N309	126.2 (16)	C11A—C10A—H10A	119.9
N310—C325—C327	116.0 (16)	C9A—C10A—C11A	120.2 (15)
C353—C352—C344	121.0 (14)	C9A—C10A—H10A	119.9
C351—C352—C344	122.0 (14)	O2A—C14A—H14A	109.5
C351—C352—C353	116.7 (14)	O2A—C14A—H14B	109.5
C338—C339—C342	121.7 (13)	O2A—C14A—H14C	109.5
C338—C339—C340	118.4 (14)	H14A—C14A—H14B	109.5
C340—C339—C342	119.9 (14)	H14A—C14A—H14C	109.5
C322—C321—C324	120.1 (18)	H14B—C14A—H14C	109.5
C320—C321—C324	122.9 (14)	C8A—C9A—H9A	120.0
C320—C321—C322	116.5 (16)	C10A—C9A—C8A	120.0 (14)
C312—N305—Zn36^vi	123.7 (14)	C10A—C9A—H9A	120.0
C312—N305—Zn46^vi	109.3 (14)	O1A—C13A—C5A	113.3 (19)
C311—N305—Zn36^vi	116.6 (14)	O1A—C13A—H13A	108.9
C311—N305—C312	119.6 (18)	O1A—C13A—H13B	108.9
C311—N305—Zn46^vi	130.9 (16)	C5A—C13A—H13A	108.9
N321—C361—C363	114.8 (16)	C5A—C13A—H13B	108.9
N322—C361—N321	127.0 (16)	H13A—C13A—H13B	107.7
N322—C361—C363	118.2 (15)	N319—C359—H359	118.9
C305—N301—Zn31	120.5 (12)	C358—C359—N319	122 (3)
C305—N301—Zn41	122.7 (13)	C358—C359—H359	118.9
C305—N301—Zn51	127 (2)	C357—C358—H358	120.8
C301—N301—Zn31	121.6 (14)	C359—C358—C357	118 (3)
C301—N301—C305	116.9 (16)	C359—C358—H358	120.8
C301—N301—Zn41	120.4 (14)	O3A—C15A—H15A	109.5
C301—N301—Zn51	106 (3)	O3A—C15A—H15B	109.5
N316—C343—N315	125.8 (12)	O3A—C15A—H15C	109.5
N316—C343—C345	116.8 (13)	H15A—C15A—H15B	109.5
N315—C343—C345	117.3 (12)	H15A—C15A—H15C	109.5
C349—C345—C343	120.9 (13)	H15B—C15A—H15C	109.5
C349—C345—C346	118.8 (14)	N319—Zn45—I410	107.8 (5)
C346—C345—C343	120.3 (13)	N319—Zn45—I409	107.1 (5)
N314—C342—N315	124.4 (14)	N318—Zn45—N319	102.2 (6)
N314—C342—C339	117.7 (13)	N318—Zn45—I410	107.9 (5)
N315—C342—C339	117.9 (13)	N318—Zn45—I409	105.5 (6)
C328—C327—C325	120.6 (16)	I409—Zn45—I410	124.3 (3)
C328—C327—C331	118.2 (18)	N307—Zn42—I404	106.3 (7)
C331—C327—C325	121 (2)	N307—Zn42—I403	105.2 (7)
C314—N306—Zn32	122.5 (13)	N306—Zn42—N307	102.2 (7)
C314—N306—Zn42	122.2 (13)	N306—Zn42—I404	107.5 (7)
C314—N306—Zn52	128 (3)	N306—Zn42—I403	104.4 (7)
C318—N306—Zn32	120.7 (12)	I403—Zn42—I404	128.5 (5)
C318—N306—C314	116.6 (16)	N323^i—Zn44—N317	101.1 (6)
C318—N306—Zn42	120.9 (12)	N323^i—Zn44—I408	106.1 (5)
C318—N306—Zn52	108 (2)	N323^i—Zn44—I407	112.7 (6)
N321—C360—C357	116.8 (17)	N317—Zn44—I408	106.1 (5)
N320—C360—N321	123.1 (16)	N317—Zn44—I407	103.0 (6)
N320—C360—C357	120.1 (16)	I407—Zn44—I408	125.1 (4)
C8A—O2A—C14A	118 (2)	N311^ii—Zn41—N301	101.6 (9)
N304—C308—N302	125.7 (16)	N311^ii—Zn41—I402	109.4 (9)
N304—C308—C316	120.2 (14)	N311^ii—Zn41—I401	103.8 (9)
N302—C308—C316	114.1 (15)	N301—Zn41—I402	106.1 (8)
C12A—O3A—C15A	116.3 (16)	N301—Zn41—I401	104.6 (8)
C364—C363—C361	123.0 (15)	I401—Zn41—I402	128.3 (8)
C364—C363—C367	117.1 (16)	N313—Zn33—I306	109.8 (6)
C367—C363—C361	119.9 (17)	N313—Zn33—I305	101.0 (5)
C345—C349—H349	120.1	N312—Zn33—N313	102.4 (7)
C345—C349—C348	119.7 (15)	N312—Zn33—I306	108.9 (6)
C348—C349—H349	120.1	N312—Zn33—I305	110.9 (7)
N316—C344—C352	117.9 (13)	I306—Zn33—I305	121.9 (5)
N314—C344—N316	124.4 (13)	N307—Zn52—I504	95 (3)
N314—C344—C352	117.8 (12)	N306—Zn52—N307	85 (2)
C360—C357—C358	121 (2)	N306—Zn52—I504	91 (3)
C360—C357—C1	119 (2)	N306—Zn52—I503	130 (5)
C356—C357—C360	124.3 (17)	I503—Zn52—N307	128 (4)
C356—C357—C358	101 (3)	I503—Zn52—I504	117 (3)
C356—C357—C1	115.8 (18)	N305^iii—Zn46—I412	116.4 (9)
C333—C334—C326	120.6 (17)	N305^iii—Zn46—I411	100.3 (9)
C333—C334—C335	119 (2)	N324—Zn46—N305^iii	103.0 (10)
C335—C334—C326	120.4 (17)	N324—Zn46—I412	114.9 (10)
C315—C316—C308	123.1 (16)	N324—Zn46—I411	97.7 (10)
C315—C316—C317	118.1 (16)	I411—Zn46—I412	121.3 (8)
C317—C316—C308	118.7 (17)	N311^ii—Zn51—I502	94 (3)
C352—C353—H353	120.0	N301—Zn51—N311^ii	85 (3)
C352—C353—C354	120.1 (16)	N301—Zn51—I502	86 (3)
C354—C353—H353	120.0	N301—Zn51—I501	138 (4)
N302—C306—N303	124.4 (14)	I501—Zn51—I502	120 (4)
N302—C306—C303	118.7 (15)	N313—Zn53—N312	100.2 (19)
N303—C306—C303	116.8 (14)	N313—Zn53—I506	107.6 (19)
C321—C322—H322	120.1	N313—Zn53—I505	117.1 (18)
C321—C322—C323	120 (2)	N312—Zn53—I506	98.0 (15)
C323—C322—H322	120.1	N312—Zn53—I505	114 (2)
N311—C329—H329	119.0	I505—Zn53—I506	116.7 (18)
N311—C329—C328	122 (2)	H80A—C803—H80B	108.1
C328—C329—H329	119.0	C804—C803—H80A	109.5
C321—C320—H320	119.3	C804—C803—H80B	109.5
C321—C320—C319	121.4 (16)	C804—C803—C802	111 (2)
C319—C320—H320	119.3	C802—C803—H80A	109.5
N317—C348—C349	122.6 (16)	C802—C803—H80B	109.5
N317—C348—H348	118.7	C803—C804—H80C	109.4
C349—C348—H348	118.7	C803—C804—H80D	109.4
C327—C328—C329	119.1 (18)	C803—C804—C805	111.3 (18)
C327—C328—H328	120.5	H80C—C804—H80D	108.0
C329—C328—H328	120.5	C805—C804—H80C	109.4
N323—C365—H365	119.5	C805—C804—H80D	109.4
N323—C365—C364	121.0 (19)	C804—C805—H80E	109.4
C364—C365—H365	119.5	C804—C805—H80F	109.4
N307—C323—C322	122.4 (19)	H80E—C805—H80F	108.0
N307—C323—H323	118.8	C806—C805—C804	111.2 (18)
C322—C323—H323	118.8	C806—C805—H80E	109.4
N304—C307—N303	125.0 (15)	C806—C805—H80F	109.4
N304—C307—C309	122.2 (14)	C805—C806—H80G	109.5
N303—C307—C309	112.8 (14)	C805—C806—H80H	109.5
C372—N324—Zn36	125.5 (16)	C805—C806—C801	110.5 (19)
C372—N324—Zn46	112.8 (17)	H80G—C806—H80H	108.1
C368—N324—Zn36	116.2 (19)	C801—C806—H80G	109.5
C368—N324—C372	118 (2)	C801—C806—H80H	109.5
C368—N324—Zn46	127.9 (19)	C806—C801—H80I	109.4
C357—C356—H356	118.7	C806—C801—H80J	109.4
C357—C356—C355	122.6 (19)	C806—C801—C802	111.2 (19)
C355—C356—H356	118.7	H80I—C801—H80J	108.0
N313—C337—H337	118.8	C802—C801—H80I	109.4
N313—C337—C338	122.4 (17)	C802—C801—H80J	109.4
C338—C337—H337	118.8	C803—C802—C801	111.1 (19)
C339—C338—C337	118.6 (16)	C803—C802—H80K	109.4
C339—C338—H338	120.7	C803—C802—H80L	109.4
C337—C338—H338	120.7	C801—C802—H80K	109.4
N308—C326—N310	124.6 (19)	C801—C802—H80L	109.4
N308—C326—C334	116.8 (16)	H80K—C802—H80L	108.0
N310—C326—C334	118.6 (17)	H81A—C810—H81B	107.8
C334—C333—H333	120.9	C811—C810—H81A	109.1
C334—C333—C332	118.1 (18)	C811—C810—H81B	109.1
C332—C333—H333	120.9	C809—C810—H81A	109.1
C303—C304—H304	120.3	C809—C810—H81B	109.1
C303—C304—C305	119.5 (16)	C809—C810—C811	113 (2)
C305—C304—H304	120.3	C810—C811—H81C	109.4
N318—C354—C353	123.6 (18)	C810—C811—H81D	109.4
N318—C354—H354	118.2	C810—C811—C812	111 (2)
C353—C354—H354	118.2	H81C—C811—H81D	108.0
N307—C319—C320	119 (2)	C812—C811—H81C	109.4
N307—C319—H319	120.5	C812—C811—H81D	109.4
C320—C319—H319	120.5	C811—C812—H81E	109.3
N313—C341—H341	118.6	C811—C812—H81F	109.3
N313—C341—C340	122.8 (15)	H81E—C812—H81F	108.0
C340—C341—H341	118.6	C807—C812—C811	112 (2)
C310—C309—C307	123.0 (16)	C807—C812—H81E	109.3
C310—C309—C313	118.2 (19)	C807—C812—H81F	109.3
C313—C309—C307	118.8 (16)	C812—C807—H80M	109.2
C345—C346—H346	119.9	C812—C807—H80N	109.2
C345—C346—C347	120.2 (15)	H80M—C807—H80N	107.9
C347—C346—H346	119.9	C808—C807—C812	112 (2)
C352—C351—H351	119.2	C808—C807—H80M	109.2
C352—C351—C350	121.5 (16)	C808—C807—H80N	109.2
C350—C351—H351	119.2	C807—C808—H80O	109.3
C316—C315—H315	119.3	C807—C808—H80P	109.3
C316—C315—C314	121.4 (17)	C807—C808—C809	112 (2)
C314—C315—H315	119.3	H80O—C808—H80P	107.9
C339—C340—H340	120.7	C809—C808—H80O	109.3
C341—C340—C339	118.6 (16)	C809—C808—H80P	109.3
C341—C340—H340	120.7	C810—C809—C808	112 (2)
N306—C314—C315	121.7 (18)	C810—C809—H80Q	109.3
N306—C314—H314	119.1	C810—C809—H80R	109.3
C315—C314—H314	119.1	C808—C809—H80Q	109.3
N323—C366—H366	118.4	C808—C809—H80R	109.3
N323—C366—C367	123.2 (17)	H80Q—C809—H80R	108.0
C367—C366—H366	118.4	N319—C3—H3	119.4
C363—C364—C365	121.9 (17)	C1—C3—N319	121 (2)
C363—C364—H364	119.0	C1—C3—H3	119.4
C365—C364—H364	119.0	C357—C1—H1	120.4
C316—C317—H317	120.8	C3—C1—C357	119 (3)
C318—C317—C316	118.4 (17)	C3—C1—H1	120.4
C318—C317—H317	120.8
Zn34^iv—N323—C365—C364	170.4 (13)	C307—C309—C313—C312	−179 (2)
Zn34^iv—N323—C366—C367	−172.4 (16)	N324—C372—C371—C370	−5 (5)
Zn34—N317—C348—C349	171.6 (18)	N324—C368—C369—C370	−2 (6)
Zn34—N317—C347—C346	−173.1 (17)	C356—C357—C358—C359	−47 (8)
Zn32—N307—C323—C322	−173.3 (13)	C356—C357—C1—C3	1 (4)
Zn32—N307—C319—C320	174.5 (15)	C337—N313—C341—C340	0 (4)
Zn32—N306—C314—C315	−171.7 (17)	C338—C339—C342—N314	169.2 (18)
Zn32—N306—C318—C317	174 (2)	C338—C339—C342—N315	−12 (3)
Zn35—N319—C355—C356	−179.3 (18)	C338—C339—C340—C341	4 (3)
Zn35—N319—C359—C358	173 (6)	C326—N308—C324—N309	−3 (2)
Zn35—N318—C354—C353	−173.4 (16)	C326—N308—C324—C321	−179.1 (13)
Zn35—N318—C350—C351	177.9 (19)	C326—N310—C325—N309	−2 (2)
Zn31^v—N311—C329—C328	171.7 (13)	C326—N310—C325—C327	175.3 (14)
Zn31^v—N311—C330—C331	−174 (2)	C326—C334—C333—C332	−179.5 (19)
Zn31—N301—C305—C304	169.1 (18)	C326—C334—C335—C336	−178.2 (19)
Zn31—N301—C301—C302	−169 (3)	C333—C334—C326—N308	−16 (3)
Zn43—N313—C337—C338	179.8 (17)	C333—C334—C326—N310	161.4 (19)
Zn43—N313—C341—C340	−176.7 (18)	C333—C334—C335—C336	−4 (3)
Zn43—N312—C336—C335	−175.7 (19)	C304—C303—C302—C301	2 (4)
Zn43—N312—C332—C333	178.5 (19)	C354—N318—C350—C351	6 (3)
Zn36^vi—N305—C312—C313	178.2 (17)	C319—N307—C323—C322	6 (3)
Zn36^vi—N305—C311—C310	179 (2)	C341—N313—C337—C338	3 (3)
Zn36—N324—C372—C371	−171 (2)	C309—C310—C311—N305	4 (4)
Zn36—N324—C368—C369	175 (3)	C346—C345—C349—C348	−2 (3)
N309—C324—C321—C322	172.0 (14)	C351—C352—C344—N316	176.3 (19)
N309—C324—C321—C320	0 (2)	C351—C352—C344—N314	−3 (3)
N309—C325—C327—C328	1 (2)	C351—C352—C353—C354	−3 (3)
N309—C325—C327—C331	−177.1 (19)	C315—C316—C317—C318	1 (4)
N316—C343—C345—C349	0 (3)	C340—C339—C342—N314	−12 (3)
N316—C343—C345—C346	178.5 (17)	C340—C339—C342—N315	166.4 (17)
N323—C365—C364—C363	2 (3)	C340—C339—C338—C337	−1 (3)
N323—C366—C367—C363	2 (3)	C314—N306—C318—C317	0 (4)
N321—C361—C363—C364	11 (2)	C366—N323—C365—C364	−5 (2)
N321—C361—C363—C367	−169.4 (15)	C364—C363—C367—C366	−5 (3)
N321—C360—C357—C356	18 (3)	C317—C316—C315—C314	1 (3)
N321—C360—C357—C358	150 (4)	C336—N312—C332—C333	1 (3)
N321—C360—C357—C1	−152 (2)	C303—C304—C305—N301	0 (4)
N315—C343—C345—C349	−176.4 (18)	C303—C302—C301—N301	−1 (5)
N315—C343—C345—C346	2 (3)	C332—N312—C336—C335	1 (3)
N308—C324—C321—C322	−12 (2)	C318—N306—C314—C315	2 (3)
N308—C324—C321—C320	176.3 (15)	C362—N322—C361—N321	−4 (3)
N313—C337—C338—C339	−2 (3)	C362—N322—C361—C363	177.1 (15)
N313—C341—C340—C339	−4 (4)	C362—N320—C360—N321	0 (3)
N310—C325—C327—C328	−176.8 (15)	C362—N320—C360—C357	−178.0 (18)
N310—C325—C327—C331	5 (3)	C362—C370—C371—C372	−175 (2)
N312—C336—C335—C334	0 (4)	C362—C370—C369—C368	179 (3)
N319—C359—C358—C357	12 (12)	C4A—C3A—C2A—C1A	−2 (3)
N319—C3—C1—C357	13 (6)	C4A—C7A—C12A—O3A	0 (4)
N304—C308—C316—C315	179 (2)	C4A—C7A—C12A—C11A	−176 (2)
N304—C308—C316—C317	−5 (3)	C4A—C7A—C8A—O2A	1 (4)
N304—C307—C309—C310	172 (2)	C4A—C7A—C8A—C9A	177 (2)
N304—C307—C309—C313	−7 (3)	C4A—C5A—C6A—C1A	3 (4)
N302—C308—C316—C315	2 (3)	C4A—C5A—C13A—O1A	−160 (2)
N302—C308—C316—C317	177.9 (19)	C355—N319—C359—C358	31 (9)
N302—C306—C303—C304	−7 (3)	C355—N319—C3—C1	−23 (5)
N302—C306—C303—C302	175 (2)	C3A—C4A—C7A—C12A	108 (3)
N322—C361—C363—C364	−170.1 (16)	C3A—C4A—C7A—C8A	−73 (3)
N322—C361—C363—C367	10 (2)	C3A—C4A—C5A—C6A	−2 (4)
N322—C362—C370—C371	−21 (3)	C3A—C4A—C5A—C13A	−179 (2)
N322—C362—C370—C369	167 (2)	C350—N318—C354—C353	−2 (3)
N303—C306—C303—C304	177 (2)	C347—N317—C348—C349	−4 (3)
N303—C306—C303—C302	−1 (3)	C312—N305—C311—C310	−1 (4)
N303—C307—C309—C310	−10 (3)	C367—C363—C364—C365	3 (3)
N303—C307—C309—C313	171.0 (19)	C305—N301—C301—C302	−1 (5)
C324—N309—C325—N310	3 (2)	C305—C304—C303—C306	−179 (2)
C324—N309—C325—C327	−174.1 (13)	C305—C304—C303—C302	−2 (4)
C324—N308—C326—N310	5 (2)	C7A—C4A—C3A—C2A	−178 (2)
C324—N308—C326—C334	−178.4 (13)	C7A—C4A—C5A—C6A	178 (2)
C324—C321—C322—C323	178.1 (14)	C7A—C4A—C5A—C13A	0 (4)
C324—C321—C320—C319	−177.2 (17)	C7A—C12A—C11A—C10A	−4 (4)
N320—C360—C357—C356	−164 (2)	C7A—C8A—C9A—C10A	4 (4)
N320—C360—C357—C358	−32 (5)	C310—C309—C313—C312	2 (3)
N320—C360—C357—C1	26 (3)	C372—N324—C368—C369	−7 (5)
N320—C362—C370—C371	159 (2)	C5A—C4A—C3A—C2A	2 (4)
N320—C362—C370—C369	−12 (4)	C5A—C4A—C7A—C12A	−72 (3)
N311—C329—C328—C327	−2 (3)	C5A—C4A—C7A—C8A	107 (3)
N311—C330—C331—C327	6 (4)	C5A—C6A—C1A—C2A	−3 (4)
C325—N309—C324—N308	0 (2)	C311—N305—C312—C313	−2 (4)
C325—N309—C324—C321	175.5 (12)	C371—C370—C369—C368	7 (5)
C325—N310—C326—N308	−2 (2)	C301—N301—C305—C304	1 (4)
C325—N310—C326—C334	−179.1 (14)	C330—N311—C329—C328	3 (3)
C325—C327—C328—C329	−174.6 (15)	C6A—C5A—C13A—O1A	23 (4)
C325—C327—C331—C330	173 (2)	C6A—C1A—C2A—C3A	3 (3)
C352—C353—C354—N318	1 (3)	C12A—C7A—C8A—O2A	−179 (2)
C352—C351—C350—N318	−8 (4)	C12A—C7A—C8A—C9A	−4 (4)
C321—C322—C323—N307	2 (3)	C12A—C11A—C10A—C9A	5 (5)
C321—C320—C319—N307	−4 (3)	C335—C334—C326—N308	158.7 (18)
N305—C312—C313—C309	1 (4)	C335—C334—C326—N310	−24 (3)
C361—N321—C360—N320	−3 (2)	C335—C334—C333—C332	6 (3)
C361—N321—C360—C357	175.1 (15)	C313—C309—C310—C311	−5 (4)
C361—N322—C362—N320	0 (3)	C331—C327—C328—C329	3 (3)
C361—N322—C362—C370	−179.4 (17)	C368—N324—C372—C371	10 (4)
C361—C363—C364—C365	−177.4 (15)	C11A—C10A—C9A—C8A	−4 (5)
C361—C363—C367—C366	175.7 (17)	C369—C370—C371—C372	−4 (4)
C343—N316—C344—N314	3 (3)	C8A—C7A—C12A—O3A	−180 (2)
C343—N316—C344—C352	−176.2 (15)	C8A—C7A—C12A—C11A	4 (4)
C343—N315—C342—N314	5 (3)	C14A—O2A—C8A—C7A	−174 (2)
C343—N315—C342—C339	−173.0 (15)	C14A—O2A—C8A—C9A	10 (4)
C343—C345—C349—C348	176.4 (19)	C13A—C5A—C6A—C1A	180 (2)
C343—C345—C346—C347	−177.8 (19)	C359—N319—C355—C356	−36 (4)
C345—C349—C348—N317	4 (4)	C358—C357—C356—C355	45 (4)
C345—C346—C347—N317	−1 (3)	C15A—O3A—C12A—C7A	−176 (3)
C342—N314—C344—N316	0 (3)	C15A—O3A—C12A—C11A	0 (4)
C342—N314—C344—C352	180.0 (16)	Zn45—N319—C355—C356	179.8 (18)
C342—N315—C343—N316	−1 (3)	Zn45—N319—C3—C1	175 (3)
C342—N315—C343—C345	175.3 (15)	Zn45—N318—C354—C353	−173.8 (16)
C342—C339—C338—C337	177.4 (17)	Zn45—N318—C350—C351	178.0 (18)
C342—C339—C340—C341	−174.6 (19)	Zn42—N307—C323—C322	−172.3 (13)
C360—N321—C361—N322	5 (2)	Zn42—N307—C319—C320	173.5 (15)
C360—N321—C361—C363	−176.1 (13)	Zn42—N306—C314—C315	−171.3 (17)
C360—N320—C362—N322	2 (3)	Zn42—N306—C318—C317	174 (2)
C360—N320—C362—C370	−178.6 (18)	Zn44^iv—N323—C365—C364	171.0 (13)
C360—C357—C356—C355	−176 (2)	Zn44^iv—N323—C366—C367	−173.0 (16)
C360—C357—C358—C359	171 (6)	Zn44—N317—C348—C349	174.3 (17)
C360—C357—C1—C3	172 (3)	Zn44—N317—C347—C346	−175.9 (17)
O2A—C8A—C9A—C10A	179 (3)	Zn41^v—N311—C329—C328	170.7 (14)
C308—N304—C307—N303	−2 (3)	Zn41^v—N311—C330—C331	−175 (2)
C308—N304—C307—C309	175.5 (18)	Zn41—N301—C305—C304	178.4 (18)
C308—N302—C306—N303	−3 (3)	Zn41—N301—C301—C302	−178 (3)
C308—N302—C306—C303	−179.3 (17)	Zn33—N313—C337—C338	179.3 (16)
C308—C316—C315—C314	177 (2)	Zn33—N313—C341—C340	−176.4 (18)
C308—C316—C317—C318	−175 (2)	Zn33—N312—C336—C335	−177.2 (19)
O3A—C12A—C11A—C10A	180 (3)	Zn33—N312—C332—C333	179.8 (18)
C349—C345—C346—C347	0 (3)	Zn52—N307—C323—C322	−175 (4)
C344—N316—C343—N315	−3 (3)	Zn52—N307—C319—C320	176 (3)
C344—N316—C343—C345	−179.3 (15)	Zn52—N306—C314—C315	−145 (3)
C344—N314—C342—N315	−5 (3)	Zn52—N306—C318—C317	154 (4)
C344—N314—C342—C339	173.3 (16)	Zn46^vi—N305—C312—C313	−178.3 (19)
C344—C352—C353—C354	−176.9 (17)	Zn46^vi—N305—C311—C310	175 (2)
C344—C352—C351—C350	−179 (2)	Zn46—N324—C372—C371	179 (2)
C357—C356—C355—N319	−5 (4)	Zn46—N324—C368—C369	−174 (3)
C334—C333—C332—N312	−5 (4)	Zn51^v—N311—C329—C328	170 (2)
C316—C315—C314—N306	−3 (4)	Zn51^v—N311—C330—C331	−165 (4)
C316—C317—C318—N306	−2 (4)	Zn51—N301—C305—C304	141 (3)
C353—C352—C344—N316	−10 (3)	Zn51—N301—C301—C302	−148 (4)
C353—C352—C344—N314	170.7 (18)	Zn53—N313—C337—C338	−176 (2)
C353—C352—C351—C350	6 (3)	Zn53—N313—C341—C340	178 (2)
C306—N302—C308—N304	8 (3)	Zn53—N312—C336—C335	−173 (2)
C306—N302—C308—C316	−174.9 (16)	Zn53—N312—C332—C333	177 (2)
C306—N303—C307—N304	7 (3)	C803—C804—C805—C806	56 (4)
C306—N303—C307—C309	−171.4 (16)	C804—C803—C802—C801	56 (5)
C306—C303—C302—C301	180 (2)	C804—C805—C806—C801	−56 (4)
C322—C321—C320—C319	11 (3)	C805—C806—C801—C802	56 (4)
C329—N311—C330—C331	−5 (4)	C806—C801—C802—C803	−56 (4)
C320—C321—C322—C323	−10 (2)	C802—C803—C804—C805	−56 (4)
C348—N317—C347—C346	3 (3)	C810—C811—C812—C807	54 (5)
C328—C327—C331—C330	−5 (3)	C811—C810—C809—C808	53 (6)
C365—N323—C366—C367	3 (3)	C811—C812—C807—C808	−54 (5)
C323—N307—C319—C320	−5 (3)	C812—C807—C808—C809	54 (5)
C307—N304—C308—N302	−6 (3)	C807—C808—C809—C810	−53 (5)
C307—N304—C308—C316	177.6 (18)	C809—C810—C811—C812	−54 (6)
C307—N303—C306—N302	−4 (3)	C3—N319—C355—C356	18 (4)
C307—N303—C306—C303	172.7 (17)	C1—C357—C356—C355	−5 (4)
C307—C309—C310—C311	176 (2)

Symmetry codes: (i) x+1/2, −y+1, z+1/2; (ii) x+1/2, −y+2, z+1/2; (iii) x, y−1, z−1; (iv) x−1/2, −y+1, z−1/2; (v) x−1/2, −y+2, z−1/2; (vi) x, y+1, z+1.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (50_5_48a)

Crystal data

C36H24I6N12Zn3·0.295(C15H16O3)	F(000) = 6163
Mr = 1654.24	Dx = 1.374 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.5810 (14) Å	Cell parameters from 9171 reflections
b = 14.9867 (3) Å	θ = 2.7–70.4°
c = 31.5551 (15) Å	µ = 19.47 mm^−1
β = 102.106 (4)°	T = 100 K
V = 15989.9 (11) Å^3	Block, light yellow
Z = 8	0.24 × 0.17 × 0.07 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	14569 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	10971 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.038
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −41→41
Absorption correction: analytical CrysAlisPro 1.171.41.89a (Rigaku Oxford Diffraction, 2020) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −13→17
Tmin = 0.084, Tmax = 0.356	l = −37→38
52421 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.123	H-atom parameters constrained
wR(F^2) = 0.365	w = 1/[σ^2(Fo^2) + (0.162P)^2 + 325.7856P] where P = (Fo^2 + 2Fc^2)/3
S = 1.05	(Δ/σ)max = 0.001
14569 reflections	Δρmax = 1.13 e Å^−3
758 parameters	Δρmin = −1.03 e Å^−3
336 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I403	0.61742 (19)	1.2337 (6)	0.5632 (2)	0.0582 (15)	0.2098
I405	0.35460 (16)	0.4157 (4)	0.51024 (13)	0.0952 (17)	0.420 (13)
I504	0.5240 (3)	1.1444 (7)	0.6374 (4)	0.085 (2)*	0.2098
I406	0.3981 (3)	0.2573 (3)	0.40798 (17)	0.107 (2)	0.420 (13)
I301	0.73648 (8)	0.26803 (12)	0.79393 (10)	0.1022 (8)	0.589 (2)
I302	0.62989 (9)	0.34220 (15)	0.69654 (8)	0.1218 (9)	0.589 (2)
Zn43	0.3781 (3)	0.4011 (6)	0.4398 (3)	0.094 (4)	0.420 (13)
Zn42	0.5792 (4)	1.1131 (8)	0.5943 (4)	0.074 (6)	0.2098
Zn31	0.67464 (14)	0.3608 (2)	0.77009 (16)	0.0849 (11)	0.589 (2)
N303	0.7346 (4)	0.8098 (6)	0.8109 (4)	0.090 (4)
N308	0.5250 (4)	0.7307 (8)	0.4710 (5)	0.098 (4)
N304	0.7195 (4)	0.9456 (7)	0.7718 (4)	0.091 (4)
N302	0.6813 (4)	0.8172 (7)	0.7512 (4)	0.088 (4)
N309	0.5769 (4)	0.7784 (8)	0.4387 (5)	0.099 (4)
N312	0.4233 (4)	0.4887 (9)	0.4439 (7)	0.109 (5)
N306	0.6207 (4)	1.0460 (9)	0.6426 (5)	0.106 (5)
N310	0.5423 (4)	0.6469 (9)	0.4145 (6)	0.104 (4)
N307	0.5676 (4)	1.0143 (9)	0.5478 (5)	0.097 (4)
N305	0.8335 (5)	1.0306 (8)	0.8924 (5)	0.104 (4)
N301	0.6908 (4)	0.4934 (8)	0.7832 (5)	0.104 (4)
C324	0.5529 (4)	0.7859 (9)	0.4656 (6)	0.089 (5)
C308	0.6908 (6)	0.9050 (10)	0.7471 (5)	0.093 (5)
C306	0.7050 (5)	0.7742 (9)	0.7822 (5)	0.086 (4)
C307	0.7417 (5)	0.8965 (9)	0.8046 (5)	0.086 (4)
C326	0.5205 (4)	0.6607 (9)	0.4436 (6)	0.086 (4)
C309	0.7732 (5)	0.9425 (8)	0.8352 (5)	0.087 (4)
C321	0.5574 (5)	0.8666 (10)	0.4942 (6)	0.094 (5)
C303	0.6997 (5)	0.6757 (10)	0.7835 (5)	0.092 (5)
C316	0.6668 (5)	0.9543 (10)	0.7106 (5)	0.097 (5)
C317	0.6739 (5)	1.0432 (12)	0.7041 (5)	0.096 (5)
H317	0.694754	1.074371	0.722669	0.115*
C327	0.5962 (7)	0.6895 (16)	0.3809 (10)	0.145 (4)
C334	0.4863 (5)	0.5995 (9)	0.4426 (7)	0.104 (6)
C325	0.5693 (5)	0.7054 (10)	0.4130 (8)	0.110 (6)
C301	0.7205 (5)	0.5295 (10)	0.8061 (7)	0.096 (5)
H301	0.740299	0.491970	0.822527	0.116*
C322	0.5308 (5)	0.8883 (11)	0.5183 (8)	0.117 (7)
H322	0.507879	0.852492	0.516764	0.140*
C333	0.4677 (4)	0.6002 (11)	0.4773 (7)	0.100 (5)
H333	0.476385	0.638763	0.501270	0.120*
C302	0.7265 (5)	0.6203 (9)	0.8091 (5)	0.093 (5)
H302	0.748744	0.644275	0.828614	0.112*
C332	0.4353 (5)	0.5416 (14)	0.4761 (7)	0.114 (6)
H332	0.422122	0.541412	0.499630	0.136*
C311	0.8247 (6)	0.9437 (10)	0.8979 (7)	0.121 (7)
H311	0.839679	0.912731	0.922140	0.145*
C323	0.5368 (6)	0.9649 (11)	0.5462 (7)	0.114 (6)
H323	0.518209	0.979149	0.563435	0.136*
C312	0.8109 (6)	1.0707 (11)	0.8569 (7)	0.110 (6)
H312	0.816168	1.131440	0.851542	0.132*
C304	0.6669 (6)	0.6363 (11)	0.7579 (7)	0.116 (7)
H304	0.647522	0.671821	0.739660	0.139*
C318	0.6489 (6)	1.0866 (12)	0.6685 (6)	0.107 (6)
H318	0.653184	1.148052	0.663650	0.129*
C310	0.7960 (7)	0.8990 (10)	0.8708 (6)	0.115 (7)
H310	0.791284	0.837902	0.876021	0.138*
C313	0.7816 (6)	1.0292 (12)	0.8288 (7)	0.106 (5)
H313	0.766947	1.060632	0.804534	0.127*
C415	0.647 (2)	0.910 (2)	0.6720 (13)	0.100 (9)	0.34 (5)
H415	0.647096	0.846483	0.669732	0.120*	0.34 (5)
C320	0.5874 (6)	0.9249 (14)	0.4953 (7)	0.122 (7)
H320	0.605457	0.915265	0.476859	0.147*
C319	0.5928 (7)	1.0000 (13)	0.5232 (8)	0.123 (7)
H319	0.614421	1.039307	0.523893	0.147*
C414	0.629 (2)	0.961 (2)	0.6391 (13)	0.100 (9)	0.34 (5)
H414	0.620842	0.934275	0.611323	0.120*	0.34 (5)
C328	0.6317 (7)	0.7337 (15)	0.3840 (10)	0.145 (4)
H328	0.638261	0.781194	0.404160	0.174*
C335	0.4671 (8)	0.5528 (18)	0.4043 (9)	0.099 (7)	0.60 (2)
H335	0.477579	0.553338	0.378739	0.119*	0.60 (2)
I306	0.38619 (19)	0.2632 (3)	0.4060 (3)	0.230 (5)	0.580 (13)
Zn33	0.3730 (2)	0.4092 (5)	0.4397 (3)	0.132 (4)	0.580 (13)
I305	0.35012 (19)	0.4205 (6)	0.5108 (2)	0.231 (5)	0.580 (13)
I402	0.65154 (13)	0.2920 (2)	0.72190 (12)	0.1112 (13)	0.381 (3)
Zn41	0.68938 (18)	0.3486 (3)	0.7944 (3)	0.0744 (14)	0.381 (3)
I401	0.75577 (10)	0.28469 (18)	0.82745 (17)	0.0990 (13)	0.381 (3)
I501	0.7667 (10)	0.312 (2)	0.8582 (12)	0.080*	0.0305 (16)
I502	0.6830 (11)	0.287 (2)	0.7379 (10)	0.080*	0.0305 (16)
Zn51	0.703 (2)	0.352 (5)	0.820 (3)	0.080*	0.0305 (16)
N311	0.6464 (6)	0.6598 (12)	0.3242 (8)	0.145 (4)
C331	0.5868 (7)	0.6314 (15)	0.3482 (10)	0.145 (4)
H331	0.562480	0.599624	0.343379	0.174*
C329	0.6574 (7)	0.7108 (15)	0.3587 (10)	0.145 (4)
H329	0.683896	0.731800	0.366042	0.174*
C330	0.6136 (7)	0.6186 (15)	0.3212 (10)	0.145 (4)
H330	0.606938	0.575637	0.298758	0.174*
C305	0.6626 (7)	0.5453 (13)	0.7590 (9)	0.137 (8)
H305	0.639452	0.518356	0.742505	0.164*
O2A	0.5661 (8)	0.7150 (19)	0.7474 (9)	0.089 (7)	0.295
C7A	0.5246 (9)	0.6998 (16)	0.6771 (8)	0.077 (7)	0.295
C12A	0.5003 (8)	0.7364 (15)	0.6403 (9)	0.079 (7)	0.295
C11A	0.4932 (9)	0.8280 (17)	0.6381 (11)	0.087 (9)	0.295
H11A	0.477505	0.853834	0.612733	0.105*	0.295
C10A	0.5094 (11)	0.881 (2)	0.6737 (12)	0.100 (10)	0.295
H10A	0.503118	0.943140	0.673206	0.120*	0.295
C9A	0.5347 (11)	0.8450 (18)	0.7099 (12)	0.093 (9)	0.295
H9A	0.546399	0.882364	0.733380	0.112*	0.295
C8A	0.5426 (10)	0.7538 (16)	0.7114 (9)	0.083 (8)	0.295
O3A	0.4820 (9)	0.6792 (18)	0.6084 (9)	0.091 (8)	0.295
C4A	0.5342 (10)	0.6031 (16)	0.6817 (12)	0.077 (7)	0.295
C5A	0.5073 (9)	0.538 (2)	0.6867 (12)	0.092 (8)	0.295
C6A	0.5177 (12)	0.449 (2)	0.6873 (14)	0.100 (10)	0.295
H6A	0.498641	0.404375	0.689883	0.120*	0.295
C2A	0.5819 (11)	0.488 (2)	0.6771 (14)	0.087 (9)	0.295
H2A	0.607329	0.471023	0.672882	0.105*	0.295
O1A	0.4457 (10)	0.508 (3)	0.7096 (9)	0.095 (10)	0.295
H1A	0.461971	0.483881	0.729713	0.142*	0.295
C14A	0.5819 (16)	0.774 (4)	0.7827 (13)	0.124 (18)	0.295
H14A	0.588299	0.831415	0.771283	0.186*	0.295
H14B	0.605861	0.747468	0.800386	0.186*	0.295
H14C	0.562179	0.782445	0.800604	0.186*	0.295
C13A	0.4659 (11)	0.569 (3)	0.6873 (19)	0.100 (11)	0.295
H13A	0.467232	0.628503	0.701539	0.120*	0.295
H13B	0.450880	0.576333	0.657122	0.120*	0.295
C1A	0.5554 (12)	0.4231 (19)	0.6841 (16)	0.100 (10)	0.295
H1AA	0.562996	0.362127	0.686615	0.120*	0.295
C15A	0.459 (2)	0.719 (4)	0.5699 (13)	0.118 (18)	0.295
H15A	0.465185	0.690641	0.544297	0.177*	0.295
H15B	0.464823	0.783041	0.569632	0.177*	0.295
H15C	0.430635	0.711071	0.569634	0.177*	0.295
C3A	0.5714 (10)	0.5777 (19)	0.6762 (13)	0.077 (8)	0.295
H3A	0.589786	0.621916	0.671734	0.092*	0.295
I304	0.52474 (18)	1.1497 (4)	0.6298 (2)	0.183 (4)	0.5625
Zn32	0.5839 (3)	1.1175 (4)	0.5897 (2)	0.097 (3)	0.5625
I303	0.62522 (16)	1.2277 (3)	0.55695 (16)	0.137 (2)	0.5625
I503	0.6074 (2)	1.2404 (5)	0.5725 (2)	0.080*	0.2277
I404	0.5148 (3)	1.1357 (4)	0.61682 (13)	0.085 (2)	0.2277
Zn52	0.5747 (5)	1.1225 (11)	0.6066 (4)	0.080*	0.2277
C336	0.4325 (8)	0.5067 (19)	0.4059 (12)	0.119 (10)	0.60 (2)
H336	0.415346	0.488003	0.379765	0.143*	0.60 (2)
C435	0.4881 (9)	0.5097 (19)	0.4298 (16)	0.099 (7)	0.40 (2)
H435	0.511396	0.484416	0.423271	0.119*	0.40 (2)
C436	0.4536 (10)	0.461 (2)	0.4275 (18)	0.119 (10)	0.40 (2)
H436	0.451559	0.404129	0.413445	0.143*	0.40 (2)
C314	0.6115 (9)	0.9647 (14)	0.6521 (10)	0.100 (9)	0.66 (5)
H314	0.588353	0.938975	0.634826	0.120*	0.66 (5)
C315	0.6322 (9)	0.9149 (14)	0.6845 (10)	0.100 (9)	0.66 (5)
H315	0.624139	0.856011	0.689767	0.120*	0.66 (5)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I403	0.046 (2)	0.082 (4)	0.045 (2)	−0.008 (2)	0.0072 (17)	0.015 (2)
I405	0.083 (2)	0.123 (3)	0.088 (2)	0.004 (2)	0.037 (2)	0.028 (2)
I406	0.139 (4)	0.0464 (17)	0.140 (4)	0.0070 (18)	0.039 (3)	0.0006 (16)
I301	0.1261 (17)	0.0559 (9)	0.1369 (19)	0.0281 (10)	0.0557 (15)	0.0258 (11)
I302	0.164 (2)	0.0748 (12)	0.1225 (16)	−0.0151 (13)	0.0199 (15)	0.0039 (11)
Zn43	0.113 (6)	0.060 (5)	0.126 (6)	−0.005 (4)	0.068 (6)	0.014 (4)
Zn42	0.101 (10)	0.070 (9)	0.061 (7)	0.057 (7)	0.043 (7)	0.053 (6)
Zn31	0.102 (3)	0.0490 (18)	0.104 (3)	0.0088 (17)	0.022 (2)	0.0096 (19)
N303	0.127 (10)	0.035 (5)	0.089 (7)	0.033 (6)	−0.020 (7)	0.007 (5)
N308	0.074 (7)	0.058 (7)	0.155 (12)	−0.005 (6)	0.010 (8)	0.016 (7)
N304	0.131 (10)	0.045 (6)	0.089 (8)	0.042 (7)	0.004 (8)	0.008 (5)
N302	0.119 (9)	0.050 (6)	0.083 (7)	0.031 (6)	−0.007 (7)	−0.003 (5)
N309	0.081 (8)	0.060 (7)	0.152 (12)	0.004 (6)	0.015 (8)	0.024 (8)
N312	0.088 (9)	0.069 (8)	0.162 (14)	−0.023 (7)	0.011 (10)	0.001 (9)
N306	0.118 (10)	0.064 (7)	0.106 (9)	0.021 (7)	−0.042 (8)	0.009 (7)
N310	0.083 (8)	0.064 (7)	0.166 (14)	−0.006 (6)	0.031 (9)	0.004 (8)
N307	0.081 (8)	0.066 (7)	0.131 (11)	0.002 (7)	−0.009 (8)	0.019 (7)
N305	0.121 (10)	0.048 (6)	0.133 (11)	0.018 (7)	0.007 (9)	−0.008 (7)
N301	0.096 (9)	0.055 (7)	0.165 (14)	0.006 (7)	0.038 (9)	−0.008 (8)
C324	0.061 (7)	0.051 (7)	0.147 (14)	0.001 (6)	0.006 (8)	0.021 (8)
C308	0.132 (13)	0.056 (8)	0.083 (9)	0.035 (8)	0.001 (9)	−0.005 (7)
C306	0.111 (11)	0.049 (7)	0.083 (9)	0.024 (7)	−0.015 (8)	−0.002 (6)
C307	0.118 (11)	0.056 (7)	0.074 (8)	0.023 (7)	−0.001 (8)	−0.008 (6)
C326	0.060 (7)	0.052 (7)	0.141 (13)	0.000 (6)	0.010 (8)	0.011 (8)
C309	0.115 (11)	0.042 (6)	0.093 (9)	0.031 (7)	−0.001 (8)	0.001 (6)
C321	0.075 (9)	0.061 (8)	0.138 (14)	−0.022 (7)	0.005 (9)	0.007 (8)
C303	0.102 (11)	0.060 (8)	0.105 (11)	0.034 (8)	0.002 (9)	−0.005 (7)
C316	0.117 (12)	0.068 (9)	0.098 (10)	0.053 (9)	0.007 (9)	0.027 (8)
C317	0.082 (9)	0.092 (11)	0.102 (11)	0.014 (8)	−0.008 (8)	0.022 (9)
C327	0.117 (6)	0.097 (6)	0.241 (12)	−0.004 (5)	0.085 (8)	0.005 (6)
C334	0.095 (11)	0.040 (7)	0.189 (19)	0.003 (7)	0.058 (12)	0.008 (9)
C325	0.089 (10)	0.054 (8)	0.182 (19)	−0.003 (7)	0.019 (11)	0.016 (10)
C301	0.088 (10)	0.049 (7)	0.157 (16)	0.006 (7)	0.037 (11)	0.011 (9)
C322	0.068 (9)	0.061 (9)	0.20 (2)	−0.006 (7)	−0.016 (12)	0.006 (11)
C333	0.069 (8)	0.079 (10)	0.139 (14)	−0.021 (7)	−0.009 (9)	0.018 (9)
C302	0.114 (11)	0.044 (7)	0.110 (11)	0.019 (7)	−0.007 (9)	0.013 (7)
C332	0.090 (11)	0.109 (14)	0.124 (14)	−0.032 (10)	−0.022 (10)	0.019 (11)
C311	0.157 (17)	0.041 (7)	0.136 (14)	0.020 (9)	−0.032 (13)	0.007 (8)
C323	0.104 (13)	0.064 (10)	0.167 (18)	0.021 (9)	0.014 (12)	0.022 (11)
C312	0.118 (14)	0.063 (9)	0.147 (16)	0.029 (9)	0.018 (13)	0.020 (10)
C304	0.115 (13)	0.070 (10)	0.142 (15)	0.032 (9)	−0.019 (12)	−0.022 (10)
C318	0.132 (14)	0.072 (10)	0.108 (12)	0.023 (10)	0.003 (11)	0.033 (9)
C310	0.173 (18)	0.048 (7)	0.098 (11)	0.007 (9)	−0.035 (11)	−0.001 (7)
C313	0.107 (12)	0.076 (10)	0.124 (13)	0.025 (9)	0.001 (11)	0.025 (10)
C415	0.114 (17)	0.053 (6)	0.107 (13)	0.040 (9)	−0.036 (13)	−0.007 (8)
C320	0.126 (15)	0.114 (15)	0.125 (15)	−0.056 (12)	0.023 (12)	0.001 (12)
C319	0.113 (15)	0.087 (13)	0.163 (19)	−0.031 (11)	0.016 (14)	−0.008 (13)
C414	0.114 (17)	0.053 (6)	0.107 (13)	0.040 (9)	−0.036 (13)	−0.007 (8)
C328	0.117 (6)	0.097 (6)	0.241 (12)	−0.004 (5)	0.085 (8)	0.005 (6)
C335	0.084 (16)	0.079 (16)	0.13 (2)	−0.022 (12)	0.016 (13)	−0.027 (14)
I306	0.139 (3)	0.0503 (15)	0.425 (11)	0.0177 (15)	−0.114 (5)	0.007 (2)
Zn33	0.081 (3)	0.061 (4)	0.219 (9)	−0.021 (2)	−0.049 (4)	0.041 (4)
I305	0.099 (3)	0.278 (8)	0.287 (8)	−0.029 (4)	−0.026 (3)	0.168 (7)
I402	0.155 (3)	0.0660 (17)	0.117 (2)	0.0068 (18)	0.040 (2)	−0.0249 (16)
Zn41	0.082 (4)	0.045 (2)	0.096 (4)	0.009 (2)	0.016 (3)	0.000 (3)
I401	0.0913 (19)	0.0548 (14)	0.160 (4)	0.0290 (13)	0.047 (2)	0.0344 (19)
N311	0.117 (6)	0.097 (6)	0.241 (12)	−0.004 (5)	0.085 (8)	0.005 (6)
C331	0.117 (6)	0.097 (6)	0.241 (12)	−0.004 (5)	0.085 (8)	0.005 (6)
C329	0.117 (6)	0.097 (6)	0.241 (12)	−0.004 (5)	0.085 (8)	0.005 (6)
C330	0.117 (6)	0.097 (6)	0.241 (12)	−0.004 (5)	0.085 (8)	0.005 (6)
C305	0.132 (16)	0.071 (11)	0.19 (2)	0.005 (11)	−0.005 (15)	−0.040 (13)
O2A	0.066 (15)	0.097 (18)	0.110 (15)	0.015 (13)	0.032 (11)	−0.021 (13)
C7A	0.073 (15)	0.060 (10)	0.103 (15)	−0.004 (10)	0.033 (11)	0.002 (10)
C12A	0.073 (16)	0.062 (12)	0.111 (15)	−0.009 (11)	0.036 (12)	0.017 (11)
C11A	0.061 (18)	0.063 (13)	0.15 (2)	−0.001 (12)	0.038 (16)	0.013 (12)
C10A	0.08 (2)	0.068 (16)	0.16 (2)	0.002 (15)	0.038 (17)	−0.001 (13)
C9A	0.068 (19)	0.063 (12)	0.15 (2)	−0.012 (13)	0.035 (16)	−0.010 (14)
C8A	0.065 (16)	0.063 (12)	0.125 (16)	−0.010 (12)	0.029 (12)	−0.008 (11)
O3A	0.091 (18)	0.074 (15)	0.111 (16)	0.000 (14)	0.024 (13)	0.010 (12)
C4A	0.094 (15)	0.060 (10)	0.073 (17)	−0.004 (9)	0.011 (14)	−0.003 (11)
C5A	0.110 (16)	0.066 (12)	0.10 (2)	−0.011 (12)	0.025 (17)	0.002 (16)
C6A	0.12 (2)	0.061 (12)	0.11 (2)	−0.018 (14)	0.00 (2)	−0.015 (17)
C2A	0.12 (2)	0.046 (12)	0.09 (2)	0.004 (12)	0.006 (19)	−0.006 (15)
O1A	0.108 (19)	0.12 (2)	0.053 (15)	−0.046 (19)	0.006 (14)	−0.012 (15)
C14A	0.11 (3)	0.15 (4)	0.12 (3)	0.00 (3)	0.05 (2)	−0.06 (3)
C13A	0.106 (18)	0.08 (2)	0.11 (3)	−0.012 (15)	0.03 (2)	0.01 (2)
C1A	0.14 (2)	0.047 (14)	0.11 (2)	−0.005 (13)	0.02 (2)	−0.010 (18)
C15A	0.15 (4)	0.09 (3)	0.11 (2)	0.05 (3)	0.02 (2)	0.00 (2)
C3A	0.097 (16)	0.043 (12)	0.09 (2)	−0.003 (11)	0.013 (16)	−0.010 (14)
I304	0.176 (4)	0.097 (3)	0.220 (6)	0.076 (3)	−0.085 (3)	−0.030 (3)
Zn32	0.107 (5)	0.063 (3)	0.099 (5)	0.017 (3)	−0.025 (4)	0.001 (3)
I303	0.182 (5)	0.0825 (19)	0.134 (3)	−0.046 (2)	0.004 (3)	−0.0159 (18)
I404	0.146 (6)	0.076 (3)	0.0272 (15)	0.045 (3)	0.007 (3)	−0.0069 (16)
C336	0.089 (17)	0.064 (15)	0.19 (3)	−0.022 (11)	−0.012 (17)	−0.025 (16)
C435	0.084 (16)	0.079 (16)	0.13 (2)	−0.022 (12)	0.016 (13)	−0.027 (14)
C436	0.089 (17)	0.064 (15)	0.19 (3)	−0.022 (11)	−0.012 (17)	−0.025 (16)
C314	0.114 (17)	0.053 (6)	0.107 (13)	0.040 (9)	−0.036 (13)	−0.007 (8)
C315	0.114 (17)	0.053 (6)	0.107 (13)	0.040 (9)	−0.036 (13)	−0.007 (8)

Geometric parameters (Å, º)

I403—Zn42	2.553 (12)	C312—H312	0.9500
I405—Zn43	2.532 (6)	C312—C313	1.35 (3)
I504—Zn52	2.203 (17)	C304—H304	0.9500
I406—Zn43	2.533 (8)	C304—C305	1.37 (3)
I301—Zn31	2.530 (5)	C318—H318	0.9500
I302—Zn31	2.520 (6)	C310—H310	0.9500
Zn43—N312	2.023 (16)	C313—H313	0.9500
Zn43—N305^i	2.168 (19)	C415—H415	0.9500
Zn42—N306	2.115 (16)	C415—C414	1.34 (3)
Zn42—N307	2.06 (2)	C320—H320	0.9500
Zn42—I404	2.498 (18)	C320—C319	1.42 (3)
Zn31—N301	2.082 (14)	C319—H319	0.9500
Zn31—N311^ii	2.16 (2)	C414—H414	0.9500
N303—C306	1.329 (18)	C328—H328	0.9500
N303—C307	1.345 (19)	C328—C329	1.36 (3)
N308—C324	1.309 (19)	C335—H335	0.9500
N308—C326	1.35 (2)	C335—C336	1.39 (3)
N304—C308	1.28 (2)	I306—Zn33	2.516 (8)
N304—C307	1.366 (17)	Zn33—I305	2.536 (10)
N302—C308	1.37 (2)	I402—Zn41	2.533 (8)
N302—C306	1.306 (17)	Zn41—I401	2.504 (7)
N309—C324	1.31 (2)	Zn41—N311^ii	1.923 (18)
N309—C325	1.35 (2)	I501—Zn51	2.37 (8)
N312—C332	1.29 (2)	I502—Zn51	2.72 (9)
N312—Zn33	2.089 (15)	Zn51—N311^ii	1.99 (7)
N312—C336	1.33 (3)	N311—C329	1.32 (3)
N312—C436	1.33 (3)	N311—C330	1.28 (3)
N306—C318	1.29 (2)	C331—H331	0.9500
N306—C414	1.31 (3)	C331—C330	1.40 (3)
N306—Zn32	2.160 (13)	C329—H329	0.9500
N306—Zn52	2.092 (19)	C330—H330	0.9500
N306—C314	1.31 (2)	C305—H305	0.9500
N310—C326	1.32 (2)	O2A—C8A	1.378 (18)
N310—C325	1.29 (2)	O2A—C14A	1.435 (19)
N307—C323	1.29 (2)	C7A—C12A	1.40 (2)
N307—C319	1.30 (3)	C7A—C8A	1.39 (2)
N307—Zn32	2.036 (16)	C7A—C4A	1.488 (19)
N307—Zn52	2.44 (2)	C12A—C11A	1.40 (2)
N305—C311	1.36 (2)	C12A—O3A	1.373 (18)
N305—C312	1.36 (2)	C11A—H11A	0.9500
N305—Zn33^iii	2.012 (17)	C11A—C10A	1.40 (2)
N301—C301	1.25 (2)	C10A—H10A	0.9500
N301—Zn41	2.202 (14)	C10A—C9A	1.40 (2)
N301—Zn51	2.41 (8)	C9A—H9A	0.9500
N301—C305	1.35 (3)	C9A—C8A	1.39 (2)
C324—C321	1.50 (2)	O3A—C15A	1.436 (19)
C308—C316	1.468 (19)	C4A—C5A	1.378 (19)
C306—C303	1.49 (2)	C4A—C3A	1.384 (19)
C307—C309	1.47 (2)	C5A—C6A	1.390 (18)
C326—C334	1.49 (2)	C5A—C13A	1.51 (2)
C309—C310	1.39 (2)	C6A—H6A	0.9500
C309—C313	1.36 (2)	C6A—C1A	1.384 (19)
C321—C322	1.35 (3)	C2A—H2A	0.9500
C321—C320	1.35 (2)	C2A—C1A	1.383 (19)
C303—C302	1.372 (19)	C2A—C3A	1.394 (19)
C303—C304	1.38 (2)	O1A—H1A	0.8400
C316—C317	1.38 (2)	O1A—C13A	1.42 (2)
C316—C415	1.43 (3)	C14A—H14A	0.9800
C316—C315	1.43 (3)	C14A—H14B	0.9800
C317—H317	0.9500	C14A—H14C	0.9800
C317—C318	1.42 (2)	C13A—H13A	0.9900
C327—C325	1.53 (3)	C13A—H13B	0.9900
C327—C328	1.38 (3)	C1A—H1AA	0.9500
C327—C331	1.34 (4)	C15A—H15A	0.9800
C334—C333	1.38 (3)	C15A—H15B	0.9800
C334—C335	1.44 (3)	C15A—H15C	0.9800
C334—C435	1.41 (3)	C3A—H3A	0.9500
C301—H301	0.9500	I304—Zn32	2.666 (12)
C301—C302	1.38 (2)	Zn32—I303	2.541 (9)
C322—H322	0.9500	I503—Zn52	2.463 (18)
C322—C323	1.44 (3)	C336—H336	0.9500
C333—H333	0.9500	C435—H435	0.9500
C333—C332	1.42 (2)	C435—C436	1.39 (3)
C302—H302	0.9500	C436—H436	0.9500
C332—H332	0.9500	C314—H314	0.9500
C311—H311	0.9500	C314—C315	1.34 (2)
C311—C310	1.34 (2)	C315—H315	0.9500
C323—H323	0.9500
I405—Zn43—I406	125.9 (4)	C321—C320—C319	122 (2)
N312—Zn43—I405	105.8 (7)	C319—C320—H320	119.0
N312—Zn43—I406	107.9 (6)	N307—C319—C320	119.1 (18)
N312—Zn43—N305^i	99.6 (7)	N307—C319—H319	120.5
N305^i—Zn43—I405	104.6 (6)	C320—C319—H319	120.5
N305^i—Zn43—I406	110.0 (5)	N306—C414—C415	124 (3)
N306—Zn42—I403	106.6 (7)	N306—C414—H414	117.8
N306—Zn42—I404	111.8 (8)	C415—C414—H414	117.8
N307—Zn42—I403	105.8 (8)	C327—C328—H328	119.4
N307—Zn42—N306	99.9 (7)	C329—C328—C327	121 (3)
N307—Zn42—I404	104.3 (8)	C329—C328—H328	119.4
I404—Zn42—I403	125.2 (5)	C334—C335—H335	121.3
I302—Zn31—I301	122.04 (18)	C336—C335—C334	117 (2)
N301—Zn31—I301	106.9 (5)	C336—C335—H335	121.3
N301—Zn31—I302	112.1 (5)	N312—Zn33—I306	107.5 (6)
N301—Zn31—N311^ii	97.3 (7)	N312—Zn33—I305	108.3 (7)
N311^ii—Zn31—I301	100.4 (6)	N305^i—Zn33—N312	102.6 (7)
N311^ii—Zn31—I302	114.8 (6)	N305^i—Zn33—I306	103.4 (5)
C306—N303—C307	115.2 (11)	N305^i—Zn33—I305	109.7 (6)
C324—N308—C326	113.5 (16)	I306—Zn33—I305	123.4 (4)
C308—N304—C307	116.4 (13)	N301—Zn41—I402	102.1 (5)
C306—N302—C308	114.8 (14)	N301—Zn41—I401	113.3 (5)
C324—N309—C325	112.8 (14)	I401—Zn41—I402	120.2 (2)
C332—N312—Zn43	124.7 (16)	N311^ii—Zn41—N301	100.9 (7)
C332—N312—Zn33	122.0 (16)	N311^ii—Zn41—I402	96.5 (8)
C332—N312—C336	119.1 (18)	N311^ii—Zn41—I401	120.5 (8)
C332—N312—C436	111 (2)	N301—Zn51—I502	83 (2)
C336—N312—Zn43	113.5 (15)	I501—Zn51—N301	121 (3)
C436—N312—Zn33	120.5 (16)	I501—Zn51—I502	115 (3)
C318—N306—Zn42	122.8 (11)	N311^ii—Zn51—N301	92 (3)
C318—N306—C414	112 (3)	N311^ii—Zn51—I501	140 (4)
C318—N306—Zn32	120.1 (11)	N311^ii—Zn51—I502	89 (3)
C318—N306—Zn52	118.3 (11)	C329—N311—Zn31^iv	129.4 (15)
C318—N306—C314	118.9 (14)	C329—N311—Zn41^iv	108.8 (16)
C414—N306—Zn32	121.1 (15)	C329—N311—Zn51^iv	89 (3)
C314—N306—Zn42	116.5 (13)	C330—N311—Zn31^iv	114 (2)
C325—N310—C326	116.2 (17)	C330—N311—Zn41^iv	134 (2)
C323—N307—Zn42	118.3 (16)	C330—N311—Zn51^iv	145 (3)
C323—N307—C319	122.2 (18)	C330—N311—C329	116 (2)
C323—N307—Zn32	125.1 (16)	C327—C331—H331	120.9
C323—N307—Zn52	111.2 (16)	C327—C331—C330	118 (2)
C319—N307—Zn42	119.3 (13)	C330—C331—H331	120.9
C319—N307—Zn32	112.6 (13)	C328—C329—Zn51^iv	171 (3)
C319—N307—Zn52	126.2 (13)	C328—C329—H329	119.3
C311—N305—Zn43^iii	120.7 (12)	Zn51^iv—C329—H329	63.3
C311—N305—C312	115.1 (16)	N311—C329—C328	121 (2)
C311—N305—Zn33^iii	118.1 (12)	N311—C329—Zn51^iv	57 (2)
C312—N305—Zn43^iii	124.1 (12)	N311—C329—H329	119.3
C312—N305—Zn33^iii	126.5 (12)	N311—C330—C331	126 (3)
C301—N301—Zn31	133.0 (12)	N311—C330—H330	117.2
C301—N301—Zn41	112.1 (12)	C331—C330—H330	117.2
C301—N301—Zn51	94 (2)	N301—C305—C304	121.2 (19)
C301—N301—C305	119.1 (15)	N301—C305—H305	119.4
C305—N301—Zn31	107.8 (12)	C304—C305—H305	119.4
C305—N301—Zn41	128.4 (13)	C8A—O2A—C14A	116 (2)
C305—N301—Zn51	144 (2)	C12A—C7A—C4A	123 (2)
N308—C324—N309	127.8 (17)	C8A—C7A—C12A	120.9 (15)
N308—C324—C321	114.8 (17)	C8A—C7A—C4A	116 (2)
N309—C324—C321	117.4 (14)	C7A—C12A—C11A	119.9 (15)
N304—C308—N302	124.8 (13)	O3A—C12A—C7A	118.2 (16)
N304—C308—C316	118.5 (15)	O3A—C12A—C11A	121.9 (16)
N302—C308—C316	116.7 (16)	C12A—C11A—H11A	120.4
N303—C306—C303	117.4 (12)	C12A—C11A—C10A	119.1 (16)
N302—C306—N303	125.8 (13)	C10A—C11A—H11A	120.4
N302—C306—C303	116.7 (13)	C11A—C10A—H10A	119.6
N303—C307—N304	122.8 (14)	C11A—C10A—C9A	120.7 (17)
N303—C307—C309	119.3 (12)	C9A—C10A—H10A	119.6
N304—C307—C309	117.8 (13)	C10A—C9A—H9A	120.1
N308—C326—C334	118.4 (16)	C8A—C9A—C10A	119.9 (17)
N310—C326—N308	124.3 (13)	C8A—C9A—H9A	120.1
N310—C326—C334	117.0 (15)	O2A—C8A—C7A	119.1 (16)
C310—C309—C307	122.0 (13)	O2A—C8A—C9A	121.4 (17)
C313—C309—C307	120.3 (14)	C7A—C8A—C9A	119.3 (15)
C313—C309—C310	117.7 (16)	C12A—O3A—C15A	117 (3)
C322—C321—C324	122.5 (14)	C5A—C4A—C7A	124 (3)
C322—C321—C320	116.0 (18)	C5A—C4A—C3A	119 (3)
C320—C321—C324	121.3 (19)	C3A—C4A—C7A	117 (3)
C302—C303—C306	123.0 (15)	C4A—C5A—C6A	120 (2)
C302—C303—C304	117.2 (15)	C4A—C5A—C13A	117 (3)
C304—C303—C306	119.8 (13)	C6A—C5A—C13A	123 (3)
C317—C316—C308	120.9 (17)	C5A—C6A—H6A	119.6
C317—C316—C415	113 (2)	C1A—C6A—C5A	121 (2)
C317—C316—C315	117.8 (13)	C1A—C6A—H6A	119.6
C415—C316—C308	121.5 (16)	C1A—C2A—H2A	120.0
C315—C316—C308	120.8 (16)	C1A—C2A—C3A	120 (3)
C316—C317—H317	121.3	C3A—C2A—H2A	120.0
C316—C317—C318	117.5 (17)	C13A—O1A—H1A	109.5
C318—C317—H317	121.3	O2A—C14A—H14A	109.5
C328—C327—C325	122 (3)	O2A—C14A—H14B	109.5
C331—C327—C325	122 (2)	O2A—C14A—H14C	109.5
C331—C327—C328	116 (2)	H14A—C14A—H14B	109.5
C333—C334—C326	118.6 (17)	H14A—C14A—H14C	109.5
C333—C334—C335	117.4 (17)	H14B—C14A—H14C	109.5
C333—C334—C435	107 (2)	C5A—C13A—H13A	109.2
C335—C334—C326	122.9 (19)	C5A—C13A—H13B	109.2
C435—C334—C326	120.7 (17)	O1A—C13A—C5A	112 (3)
N309—C325—C327	116.9 (16)	O1A—C13A—H13A	109.2
N310—C325—N309	125 (2)	O1A—C13A—H13B	109.2
N310—C325—C327	117.6 (19)	H13A—C13A—H13B	107.9
N301—C301—H301	118.0	C6A—C1A—C2A	119 (2)
N301—C301—C302	124.1 (16)	C6A—C1A—H1AA	120.5
C302—C301—H301	118.0	C2A—C1A—H1AA	120.5
C321—C322—H322	119.7	O3A—C15A—H15A	109.5
C321—C322—C323	120.7 (17)	O3A—C15A—H15B	109.5
C323—C322—H322	119.7	O3A—C15A—H15C	109.5
C334—C333—H333	120.9	H15A—C15A—H15B	109.5
C334—C333—C332	118.1 (19)	H15A—C15A—H15C	109.5
C332—C333—H333	120.9	H15B—C15A—H15C	109.5
C303—C302—C301	119.0 (17)	C4A—C3A—C2A	121 (3)
C303—C302—H302	120.5	C4A—C3A—H3A	119.7
C301—C302—H302	120.5	C2A—C3A—H3A	119.7
N312—C332—C333	122 (2)	N306—Zn32—I304	96.3 (6)
N312—C332—H332	119.1	N306—Zn32—I303	110.2 (6)
C333—C332—H332	119.1	N307—Zn32—N306	99.4 (6)
N305—C311—H311	118.3	N307—Zn32—I304	108.1 (6)
C310—C311—N305	123.5 (16)	N307—Zn32—I303	109.4 (6)
C310—C311—H311	118.3	I303—Zn32—I304	128.9 (3)
N307—C323—C322	120 (2)	I504—Zn52—N307	118.2 (9)
N307—C323—H323	120.2	I504—Zn52—I503	124.6 (7)
C322—C323—H323	120.2	N306—Zn52—I504	115.3 (9)
N305—C312—H312	118.0	N306—Zn52—N307	89.6 (7)
C313—C312—N305	123.9 (17)	N306—Zn52—I503	105.3 (8)
C313—C312—H312	118.0	N307—Zn52—I503	97.3 (6)
C303—C304—H304	120.4	N312—C336—C335	120 (2)
C305—C304—C303	119.3 (17)	N312—C336—H336	119.9
C305—C304—H304	120.4	C335—C336—H336	119.9
N306—C318—C317	122.7 (16)	C334—C435—H435	122.2
N306—C318—H318	118.7	C436—C435—C334	116 (3)
C317—C318—H318	118.7	C436—C435—H435	122.2
C309—C310—H310	120.1	N312—C436—C435	123 (3)
C311—C310—C309	119.8 (15)	N312—C436—H436	118.4
C311—C310—H310	120.1	C435—C436—H436	118.4
C309—C313—H313	120.0	N306—C314—H314	117.5
C312—C313—C309	119.9 (16)	N306—C314—C315	125.1 (19)
C312—C313—H313	120.0	C315—C314—H314	117.5
C316—C415—H415	121.5	C316—C315—H315	121.4
C414—C415—C316	117 (2)	C314—C315—C316	117.2 (19)
C414—C415—H415	121.5	C314—C315—H315	121.4
C321—C320—H320	119.0
Zn43—N312—C332—C333	178.7 (13)	C301—N301—C305—C304	3 (4)
Zn43—N312—C336—C335	−169 (2)	C322—C321—C320—C319	6 (3)
Zn43^iii—N305—C311—C310	176.4 (18)	C333—C334—C335—C336	−4 (4)
Zn43^iii—N305—C312—C313	−176.0 (16)	C333—C334—C435—C436	44 (5)
Zn42—N306—C318—C317	172.5 (15)	C302—C303—C304—C305	0 (3)
Zn42—N306—C314—C315	−173 (2)	C332—N312—C336—C335	29 (4)
Zn42—N307—C323—C322	−171.6 (13)	C332—N312—C436—C435	−28 (6)
Zn42—N307—C319—C320	171.8 (16)	C311—N305—C312—C313	0 (3)
Zn31—N301—C301—C302	177.0 (14)	C323—N307—C319—C320	−3 (3)
Zn31—N301—C305—C304	−174 (2)	C312—N305—C311—C310	0 (3)
Zn31^iv—N311—C329—C328	163.0 (18)	C304—C303—C302—C301	4 (3)
Zn31^iv—N311—C330—C331	−170 (2)	C318—N306—C414—C415	38 (8)
N303—C306—C303—C302	−8 (3)	C318—N306—C314—C315	−8 (4)
N303—C306—C303—C304	172.6 (18)	C310—C309—C313—C312	−1 (3)
N303—C307—C309—C310	0 (3)	C313—C309—C310—C311	1 (3)
N303—C307—C309—C313	178.0 (17)	C415—C316—C317—C318	25 (4)
N308—C324—C321—C322	−10 (2)	C320—C321—C322—C323	−5 (3)
N308—C324—C321—C320	173.5 (17)	C319—N307—C323—C322	4 (3)
N308—C326—C334—C333	−19 (2)	C414—N306—C318—C317	−30 (5)
N308—C326—C334—C335	149 (2)	C328—C327—C325—N309	15 (3)
N308—C326—C334—C435	−154 (3)	C328—C327—C325—N310	−163 (2)
N304—C308—C316—C317	−3 (3)	C328—C327—C331—C330	2 (4)
N304—C308—C316—C415	152 (4)	C335—C334—C333—C332	12 (3)
N304—C308—C316—C315	−174 (3)	Zn33—N312—C332—C333	−175.3 (13)
N304—C307—C309—C310	176.9 (17)	Zn33—N312—C436—C435	−179 (4)
N304—C307—C309—C313	−5 (2)	Zn33^iii—N305—C311—C310	172.9 (19)
N302—C308—C316—C317	179.3 (16)	Zn33^iii—N305—C312—C313	−171.9 (16)
N302—C308—C316—C415	−26 (5)	Zn41—N301—C301—C302	−172.5 (15)
N302—C308—C316—C315	8 (3)	Zn41—N301—C305—C304	175.1 (17)
N302—C306—C303—C302	168.3 (17)	Zn41^iv—N311—C329—C328	175 (2)
N302—C306—C303—C304	−11 (3)	Zn41^iv—N311—C330—C331	176 (2)
N309—C324—C321—C322	169.7 (16)	Zn51—N301—C301—C302	−163 (2)
N309—C324—C321—C320	−6 (2)	Zn51—N301—C305—C304	156 (4)
N306—C314—C315—C316	0 (4)	Zn51^iv—N311—C329—C328	−169 (3)
N310—C326—C334—C333	167.4 (15)	Zn51^iv—N311—C330—C331	141 (5)
N310—C326—C334—C335	−25 (3)	C331—C327—C325—N309	−166 (2)
N310—C326—C334—C435	32 (3)	C331—C327—C325—N310	17 (3)
N305—C311—C310—C309	−1 (4)	C331—C327—C328—C329	−8 (4)
N305—C312—C313—C309	0 (3)	C329—N311—C330—C331	8 (4)
N301—C301—C302—C303	−4 (3)	C330—N311—C329—C328	−14 (4)
C324—N308—C326—N310	1 (2)	C330—N311—C329—Zn51^iv	155 (3)
C324—N308—C326—C334	−172.2 (14)	C305—N301—C301—C302	1 (3)
C324—N309—C325—N310	−2 (3)	C7A—C12A—C11A—C10A	−2 (2)
C324—N309—C325—C327	−178.9 (17)	C7A—C12A—O3A—C15A	−177 (4)
C324—C321—C322—C323	178.2 (16)	C7A—C4A—C5A—C6A	175 (3)
C324—C321—C320—C319	−177.9 (19)	C7A—C4A—C5A—C13A	0 (4)
C308—N304—C307—N303	1 (2)	C7A—C4A—C3A—C2A	−176 (4)
C308—N304—C307—C309	−176.1 (15)	C12A—C7A—C8A—O2A	179 (3)
C308—N302—C306—N303	5 (3)	C12A—C7A—C8A—C9A	3 (4)
C308—N302—C306—C303	−170.7 (15)	C12A—C7A—C4A—C5A	−70 (4)
C308—C316—C317—C318	−178.9 (17)	C12A—C7A—C4A—C3A	103 (3)
C308—C316—C415—C414	−174 (4)	C12A—C11A—C10A—C9A	4 (5)
C308—C316—C315—C314	179 (2)	C11A—C12A—O3A—C15A	7 (5)
C306—N303—C307—N304	2 (2)	C11A—C10A—C9A—C8A	−3 (6)
C306—N303—C307—C309	178.5 (15)	C10A—C9A—C8A—O2A	−177 (4)
C306—N302—C308—N304	−2 (3)	C10A—C9A—C8A—C7A	−1 (5)
C306—N302—C308—C316	175.5 (15)	C8A—C7A—C12A—C11A	−1 (2)
C306—C303—C302—C301	−175.6 (17)	C8A—C7A—C12A—O3A	−177 (4)
C306—C303—C304—C305	179 (2)	C8A—C7A—C4A—C5A	112 (3)
C307—N303—C306—N302	−5 (3)	C8A—C7A—C4A—C3A	−74 (4)
C307—N303—C306—C303	171.0 (15)	O3A—C12A—C11A—C10A	173 (4)
C307—N304—C308—N302	0 (3)	C4A—C7A—C12A—C11A	−179 (3)
C307—N304—C308—C316	−178.3 (15)	C4A—C7A—C12A—O3A	5 (4)
C307—C309—C310—C311	179 (2)	C4A—C7A—C8A—O2A	−3 (5)
C307—C309—C313—C312	−179.2 (17)	C4A—C7A—C8A—C9A	−179 (3)
C326—N308—C324—N309	−3 (2)	C4A—C5A—C6A—C1A	2 (2)
C326—N308—C324—C321	177.4 (13)	C4A—C5A—C13A—O1A	−156 (3)
C326—N310—C325—N309	0 (3)	C5A—C4A—C3A—C2A	−2 (5)
C326—N310—C325—C327	177.6 (17)	C5A—C6A—C1A—C2A	−5 (5)
C326—C334—C333—C332	−179.9 (15)	C6A—C5A—C13A—O1A	30 (6)
C326—C334—C335—C336	−172 (2)	C14A—O2A—C8A—C7A	−176 (4)
C326—C334—C435—C436	−176 (4)	C14A—O2A—C8A—C9A	0 (6)
C321—C322—C323—N307	1 (3)	C13A—C5A—C6A—C1A	176 (5)
C321—C320—C319—N307	−1 (3)	C1A—C2A—C3A—C4A	−1 (6)
C303—C304—C305—N301	−3 (4)	C3A—C4A—C5A—C6A	2 (2)
C316—C317—C318—N306	−1 (3)	C3A—C4A—C5A—C13A	−173 (4)
C316—C415—C414—N306	−14 (9)	C3A—C2A—C1A—C6A	4 (6)
C317—C316—C415—C414	−18 (6)	Zn32—N306—C318—C317	179.5 (15)
C317—C316—C315—C314	7 (4)	Zn32—N306—C414—C415	−171 (5)
C327—C328—C329—N311	15 (4)	Zn32—N307—C323—C322	−173.5 (13)
C327—C331—C330—N311	−2 (4)	Zn32—N307—C319—C320	174.0 (16)
C334—C333—C332—N312	0 (3)	Zn52—N306—C318—C317	158.6 (16)
C334—C335—C336—N312	−16 (4)	Zn52—N307—C323—C322	−170.4 (14)
C334—C435—C436—N312	−13 (7)	Zn52—N307—C319—C320	169.6 (15)
C325—N309—C324—N308	3 (2)	C336—N312—C332—C333	−21 (3)
C325—N309—C324—C321	−177.2 (14)	C435—C334—C333—C332	−39 (3)
C325—N310—C326—N308	0 (2)	C436—N312—C332—C333	34 (3)
C325—N310—C326—C334	173.5 (15)	C314—N306—C318—C317	8 (4)
C325—C327—C328—C329	172 (2)	C315—C316—C317—C318	−7 (3)
C325—C327—C331—C330	−178 (2)

Symmetry codes: (i) x−1/2, −y+3/2, z−1/2; (ii) x, −y+1, z+1/2; (iii) x+1/2, −y+3/2, z+1/2; (iv) x, −y+1, z−1/2.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (50_5_48b)

Crystal data

C72H48I12N24Zn6·1.026(C15H16O3)·1.222(C6H12)	F(000) = 6624
Mr = 3517.93	Dx = 1.463 Mg m^−3
Monoclinic, P2/n	Cu Kα radiation, λ = 1.54184 Å
a = 31.6098 (9) Å	Cell parameters from 19887 reflections
b = 15.0289 (2) Å	θ = 2.6–70.3°
c = 34.3656 (8) Å	µ = 19.53 mm^−1
β = 101.939 (3)°	T = 100 K
V = 15972.6 (6) Å^3	Block, light yellow
Z = 4	0.24 × 0.13 × 0.05 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	29074 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	21866 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.045
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.1°
profile data from ω–scans	h = −35→38
Absorption correction: analytical CrysAlisPro 1.171.41.122a (Rigaku Oxford Diffraction, 2021) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −18→9
Tmin = 0.127, Tmax = 0.442	l = −41→40
102894 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.096	H-atom parameters constrained
wR(F^2) = 0.287	w = 1/[σ^2(Fo^2) + (0.1101P)^2 + 171.898P] where P = (Fo^2 + 2Fc^2)/3
S = 1.11	(Δ/σ)max = 0.002
29074 reflections	Δρmax = 1.44 e Å^−3
1652 parameters	Δρmin = −0.85 e Å^−3
824 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). Exchange site B was located over a two-fold symmetry axis and was modelled in PART -1. Multiple solvent molecules were located over two-fold symmetry sites or were determined to have a low occupancy, these were modelled isotropic to prevent over-expansion of thermal ellipsoids. During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I411	0.4220 (8)	0.4934 (7)	0.1412 (7)	0.127 (5)	0.35 (3)
I404	0.6219 (5)	0.1080 (6)	0.7643 (3)	0.095 (2)	0.47 (3)
I307	0.32822 (9)	0.0362 (2)	0.50773 (8)	0.0861 (13)	0.647 (15)
I308	0.22362 (8)	0.03703 (17)	0.40046 (11)	0.0839 (12)	0.647 (15)
I403	0.56234 (15)	0.0383 (4)	0.8728 (2)	0.0895 (19)	0.47 (3)
I305	0.3937 (3)	0.9861 (5)	0.6380 (3)	0.198 (6)	0.57 (3)
I301	0.29624 (9)	0.51978 (18)	0.99058 (10)	0.0721 (9)	0.587 (11)
I310	0.64089 (17)	−0.3961 (3)	0.27304 (14)	0.0921 (10)	0.700 (16)
I306	0.4996 (2)	0.8414 (7)	0.59867 (19)	0.176 (5)	0.57 (3)
I412	0.5161 (5)	0.3158 (17)	0.0990 (6)	0.167 (6)	0.35 (3)
I302	0.19964 (8)	0.59678 (17)	0.88413 (9)	0.0814 (10)	0.587 (11)
I309	0.56877 (9)	−0.4932 (2)	0.3658 (2)	0.0933 (15)	0.700 (16)
Zn42	0.5897 (3)	0.1501 (9)	0.8259 (4)	0.063 (3)	0.47 (3)
Zn33	0.42860 (16)	0.8463 (4)	0.62013 (18)	0.064 (3)	0.57 (3)
Zn46	0.4508 (5)	0.3404 (9)	0.1288 (4)	0.114 (7)	0.35 (3)
Zn34	0.29513 (11)	0.0962 (3)	0.43928 (11)	0.0609 (16)	0.647 (15)
Zn35	0.6045 (4)	−0.3762 (7)	0.3313 (3)	0.0704 (18)	0.700 (16)
Zn31	0.27303 (16)	0.6134 (5)	0.92890 (17)	0.0622 (12)	0.587 (11)
N309	0.2700 (3)	0.6892 (5)	0.4607 (3)	0.050 (2)
N308	0.3098 (3)	0.5571 (5)	0.4783 (3)	0.053 (2)
N316	0.4829 (3)	0.0167 (6)	0.2787 (3)	0.056 (2)
N304	0.4623 (3)	0.5234 (6)	0.7706 (3)	0.056 (2)
N305	0.5425 (3)	0.2435 (6)	0.8129 (3)	0.063 (3)
N314	0.4267 (3)	0.1000 (6)	0.2983 (3)	0.059 (3)
N310	0.2510 (3)	0.5583 (5)	0.4230 (3)	0.049 (2)
N312	0.2909 (4)	0.2351 (6)	0.4414 (3)	0.067 (3)
N315	0.4519 (4)	−0.0327 (6)	0.3328 (3)	0.063 (3)
N320	0.2765 (3)	0.2014 (6)	−0.0212 (3)	0.061 (3)
N322	0.2550 (3)	0.0747 (6)	−0.0616 (3)	0.064 (3)
N318	0.4552 (4)	0.2673 (7)	0.1806 (3)	0.066 (3)
N311	0.1395 (3)	0.7829 (5)	0.3611 (3)	0.065 (3)
N307	0.3856 (4)	0.7800 (6)	0.5770 (3)	0.068 (3)
N321	0.3119 (3)	0.0639 (6)	−0.0049 (3)	0.064 (3)
N313	0.3396 (4)	0.0791 (7)	0.4042 (3)	0.070 (3)
N306	0.4328 (4)	0.7667 (6)	0.6694 (3)	0.062 (3)
N319	0.3985 (4)	0.2814 (6)	0.0917 (3)	0.076 (3)
N303	0.4330 (4)	0.4761 (7)	0.8255 (3)	0.061 (2)
N323	0.2807 (4)	−0.2520 (7)	−0.0557 (4)	0.073 (3)
C325	0.2463 (3)	0.6433 (6)	0.4313 (3)	0.044 (2)
N317	0.5594 (4)	−0.2724 (8)	0.3198 (4)	0.076 (3)
N324	0.1496 (4)	0.3044 (6)	−0.1251 (4)	0.075 (3)
N302	0.4063 (4)	0.6066 (7)	0.7897 (3)	0.073 (3)
C324	0.3029 (3)	0.6421 (6)	0.4834 (3)	0.046 (2)
C352	0.4562 (4)	0.1503 (7)	0.2431 (3)	0.056 (3)
C326	0.2819 (4)	0.5175 (6)	0.4490 (3)	0.051 (3)
C334	0.2857 (4)	0.4187 (7)	0.4452 (3)	0.049 (2)
C327	0.2089 (4)	0.6937 (7)	0.4061 (3)	0.053 (3)
C307	0.4586 (4)	0.4675 (7)	0.8003 (3)	0.054 (3)
C344	0.4555 (4)	0.0868 (7)	0.2758 (3)	0.052 (3)
C309	0.4865 (4)	0.3859 (7)	0.8036 (3)	0.055 (3)
C321	0.3316 (4)	0.6914 (7)	0.5150 (3)	0.058 (3)
O2A	0.3911 (4)	0.4279 (8)	0.2657 (4)	0.080 (4)	0.7263
C335	0.2635 (4)	0.3723 (8)	0.4125 (4)	0.062 (3)
H335	0.246038	0.402721	0.390782	0.075*
C336	0.2674 (5)	0.2813 (7)	0.4121 (4)	0.065 (3)
H336	0.252326	0.249838	0.389469	0.077*
C345	0.5057 (4)	−0.1227 (7)	0.3105 (4)	0.063 (3)
C343	0.4790 (4)	−0.0410 (7)	0.3080 (4)	0.062 (3)
C308	0.4345 (5)	0.5931 (8)	0.7671 (4)	0.066 (3)
C339	0.3966 (4)	0.0522 (8)	0.3536 (4)	0.064 (3)
C349	0.5324 (5)	−0.1402 (8)	0.2843 (4)	0.069 (4)
H349	0.532858	−0.102000	0.262332	0.083*
O3A	0.2541 (5)	0.4693 (9)	0.1849 (4)	0.087 (4)	0.7263
C331	0.1818 (4)	0.6512 (7)	0.3761 (4)	0.067 (3)
H331	0.186522	0.590467	0.370561	0.081*
C316	0.4344 (4)	0.6537 (8)	0.7342 (4)	0.061 (3)
C357	0.3382 (5)	0.1958 (8)	0.0334 (4)	0.072 (4)
C350	0.4320 (4)	0.2829 (9)	0.2082 (4)	0.070 (4)
H350	0.414460	0.334743	0.205688	0.085*
C303	0.3769 (5)	0.5622 (10)	0.8466 (4)	0.074 (4)
C360	0.3067 (4)	0.1495 (8)	−0.0002 (4)	0.065 (3)
N301	0.3217 (5)	0.5948 (9)	0.8971 (5)	0.095 (4)
C351	0.4324 (4)	0.2265 (8)	0.2405 (4)	0.063 (3)
H351	0.416519	0.240925	0.260285	0.076*
C312	0.5369 (4)	0.2932 (8)	0.7800 (4)	0.060 (3)
H312	0.552361	0.279062	0.759871	0.071*
C313	0.5092 (4)	0.3642 (8)	0.7748 (4)	0.062 (3)
H313	0.505568	0.398619	0.751214	0.075*
C342	0.4274 (4)	0.0384 (8)	0.3267 (3)	0.060 (3)
C328	0.2012 (4)	0.7802 (7)	0.4137 (4)	0.071 (4)
H328	0.219863	0.810680	0.434661	0.086*
C320	0.3230 (4)	0.7763 (7)	0.5250 (3)	0.060 (3)
H320	0.298343	0.806652	0.510464	0.072*
C363	0.2839 (4)	−0.0688 (8)	−0.0428 (4)	0.060 (3)
C319	0.3498 (5)	0.8178 (8)	0.5562 (4)	0.068 (4)
H319	0.342683	0.876155	0.563198	0.082*
C370	0.2165 (4)	0.2127 (8)	−0.0775 (4)	0.064 (3)
C361	0.2849 (4)	0.0282 (7)	−0.0353 (4)	0.059 (3)
C362	0.2515 (4)	0.1610 (7)	−0.0524 (4)	0.063 (3)
C369	0.2104 (5)	0.3003 (8)	−0.0708 (4)	0.074 (4)
H369	0.228772	0.330821	−0.049591	0.089*
C329	0.1666 (5)	0.8233 (8)	0.3913 (4)	0.077 (4)
H329	0.161557	0.883678	0.397187	0.092*
C322	0.3683 (5)	0.6501 (7)	0.5379 (4)	0.080 (5)
H32A	0.374374	0.589510	0.533391	0.096*
C333	0.3117 (5)	0.3700 (8)	0.4747 (4)	0.073 (4)
H333	0.329314	0.399161	0.496746	0.087*
O1A	0.2906 (4)	0.2587 (9)	0.3060 (5)	0.091 (4)	0.7263
H1AA	0.281385	0.284680	0.324202	0.136*	0.7263
C348	0.5589 (5)	−0.2161 (9)	0.2908 (4)	0.075 (4)
H348	0.577733	−0.227013	0.273087	0.090*
C332	0.3120 (5)	0.2786 (7)	0.4720 (4)	0.078 (4)
H332	0.328426	0.245781	0.493518	0.094*
C330	0.1467 (4)	0.6981 (8)	0.3532 (4)	0.072 (4)
H330	0.127846	0.668762	0.331926	0.087*
C310	0.4914 (5)	0.3318 (9)	0.8370 (4)	0.073 (4)
H310	0.475565	0.343400	0.857196	0.088*
C356	0.3710 (5)	0.1471 (9)	0.0548 (5)	0.087 (5)
H356	0.373739	0.085044	0.050547	0.105*
C306	0.4074 (5)	0.5466 (9)	0.8194 (4)	0.071 (4)
C353	0.4818 (5)	0.1372 (9)	0.2165 (4)	0.080 (4)
H353	0.500754	0.087462	0.219362	0.095*
C358	0.3344 (5)	0.2847 (8)	0.0406 (4)	0.081 (4)
H358	0.311381	0.318273	0.025299	0.097*
C367	0.2597 (6)	−0.1055 (8)	−0.0759 (5)	0.085 (5)
H367	0.243019	−0.068047	−0.095492	0.102*
C311	0.5194 (6)	0.2612 (10)	0.8403 (5)	0.085 (4)
H311	0.522486	0.223552	0.862931	0.102*
C317	0.4671 (5)	0.6584 (11)	0.7156 (5)	0.091 (5)
H317	0.492173	0.623381	0.724597	0.109*
C368	0.1767 (5)	0.3444 (9)	−0.0958 (4)	0.077 (4)
H368	0.172972	0.406088	−0.091576	0.093*
C364	0.3079 (6)	−0.1269 (8)	−0.0162 (5)	0.081 (4)
H364	0.326030	−0.105108	0.007411	0.097*
C341	0.3340 (6)	0.1168 (11)	0.3694 (5)	0.093 (5)
H341	0.309404	0.153998	0.361460	0.112*
C337	0.3750 (6)	0.0290 (11)	0.4144 (5)	0.085 (4)
H337	0.380466	0.002148	0.439990	0.102*
C355	0.4015 (5)	0.1946 (8)	0.0842 (5)	0.092 (6)
H355	0.425177	0.162504	0.099260	0.111*
C365	0.3054 (5)	−0.2196 (9)	−0.0242 (5)	0.081 (4)
H365	0.322522	−0.259124	−0.005760	0.097*
C366	0.2588 (6)	−0.1963 (10)	−0.0819 (5)	0.088 (5)
H366	0.241713	−0.219479	−0.105771	0.105*
C338	0.4036 (5)	0.0140 (11)	0.3908 (4)	0.082 (4)
H338	0.428189	−0.022602	0.399760	0.098*
C302	0.3826 (7)	0.5212 (11)	0.8825 (5)	0.102 (6)
H302	0.405385	0.479669	0.890370	0.122*
C323	0.3953 (6)	0.6978 (8)	0.5666 (5)	0.091 (5)
H323	0.421796	0.671708	0.579704	0.109*
C354	0.4805 (6)	0.1964 (9)	0.1850 (4)	0.084 (5)
H354	0.498245	0.185509	0.166283	0.101*
C340	0.3620 (6)	0.1061 (10)	0.3425 (5)	0.087 (5)
H340	0.356697	0.135722	0.317579	0.104*
C7A	0.3233 (5)	0.4528 (8)	0.2254 (4)	0.066 (4)	0.7263
C4A	0.3198 (6)	0.3550 (7)	0.2149 (4)	0.061 (4)	0.7263
C5A	0.3140 (7)	0.2920 (8)	0.2434 (4)	0.077 (5)	0.7263
C6A	0.3133 (6)	0.2019 (8)	0.2330 (5)	0.080 (6)	0.7263
H6A	0.308868	0.158114	0.251702	0.096*	0.7263
C1A	0.3189 (5)	0.1759 (9)	0.1961 (5)	0.077 (6)	0.7263
H1A	0.318774	0.114328	0.189716	0.093*	0.7263
C2A	0.3247 (5)	0.2385 (8)	0.1678 (4)	0.069 (5)	0.7263
H2A	0.328772	0.220211	0.142401	0.083*	0.7263
C3A	0.3245 (5)	0.3281 (8)	0.1774 (4)	0.060 (4)	0.7263
H3A	0.327707	0.371510	0.158083	0.072*	0.7263
C359	0.3641 (5)	0.3249 (9)	0.0699 (5)	0.089 (5)
H359	0.360490	0.386146	0.075199	0.107*
C372	0.1564 (6)	0.2207 (9)	−0.1300 (6)	0.113 (7)
H372	0.136628	0.191187	−0.150614	0.136*
C301	0.3553 (7)	0.5402 (13)	0.9070 (6)	0.109 (7)
H301	0.360394	0.513161	0.932516	0.131*
C371	0.1892 (6)	0.1702 (8)	−0.1085 (5)	0.107 (7)
H371	0.192992	0.109392	−0.114590	0.128*
C318	0.4650 (5)	0.7149 (11)	0.6825 (5)	0.092 (5)
H318	0.488527	0.714731	0.669179	0.111*
C346	0.5048 (7)	−0.1835 (11)	0.3405 (6)	0.102 (6)
H346	0.485618	−0.176772	0.358260	0.122*
C347	0.5336 (7)	−0.2557 (11)	0.3437 (7)	0.113 (7)
H347	0.534108	−0.295787	0.365210	0.135*
C8A	0.3599 (5)	0.4879 (9)	0.2503 (5)	0.073 (5)	0.7263
C12A	0.2891 (5)	0.5092 (9)	0.2083 (4)	0.074 (5)	0.7263
C304	0.3443 (7)	0.6227 (13)	0.8378 (6)	0.118 (8)
H30A	0.340006	0.654864	0.813442	0.142*
C9A	0.3628 (7)	0.5796 (10)	0.2571 (6)	0.088 (6)	0.7263
H9A	0.388209	0.604485	0.273011	0.106*	0.7263
C10A	0.3290 (7)	0.6332 (11)	0.2408 (6)	0.098 (7)	0.7263
H10A	0.331000	0.695198	0.246203	0.117*	0.7263
C305	0.3173 (9)	0.6375 (15)	0.8645 (7)	0.136 (9)
H305	0.294995	0.680691	0.858129	0.164*
C11A	0.2922 (8)	0.6004 (10)	0.2167 (6)	0.097 (7)	0.7263
H11A	0.269075	0.639207	0.205791	0.116*	0.7263
C15A	0.2177 (8)	0.5242 (17)	0.1701 (7)	0.106 (8)	0.7263
H15A	0.211943	0.524486	0.140993	0.160*	0.7263
H15B	0.223732	0.584966	0.180067	0.160*	0.7263
H15C	0.192439	0.500951	0.179170	0.160*	0.7263
C13A	0.3112 (8)	0.3212 (12)	0.2853 (6)	0.098 (7)	0.7263
H13A	0.340870	0.331977	0.300783	0.117*	0.7263
H13B	0.295289	0.378186	0.283608	0.117*	0.7263
C415	0.4226 (18)	0.7457 (18)	0.7354 (10)	0.096 (8)	0.36 (2)
H415	0.419296	0.771919	0.759711	0.115*	0.36 (2)
C14A	0.4289 (7)	0.461 (2)	0.2901 (11)	0.145 (12)	0.7263
H14A	0.447880	0.485610	0.273460	0.217*	0.7263
H14B	0.443905	0.413459	0.306765	0.217*	0.7263
H14C	0.421360	0.508720	0.307103	0.217*	0.7263
I304	0.6144 (3)	0.1139 (5)	0.7619 (3)	0.108 (2)	0.53 (3)
Zn32	0.5909 (4)	0.1418 (9)	0.8249 (4)	0.091 (4)	0.53 (3)
I303	0.5665 (3)	0.0223 (7)	0.8653 (4)	0.160 (3)	0.53 (3)
I409	0.5644 (2)	−0.4722 (6)	0.3877 (5)	0.110 (3)	0.300 (16)
Zn45	0.6002 (10)	−0.3652 (17)	0.3422 (8)	0.075 (5)	0.300 (16)
I410	0.6256 (5)	−0.4105 (7)	0.2802 (4)	0.102 (3)	0.300 (16)
I401	0.3187 (6)	0.5327 (5)	1.0070 (4)	0.189 (6)	0.413 (11)
Zn41	0.2873 (6)	0.6108 (7)	0.9420 (4)	0.137 (6)	0.413 (11)
I402	0.2131 (5)	0.5689 (7)	0.9028 (6)	0.229 (6)	0.413 (11)
I405	0.39496 (16)	0.9959 (4)	0.63418 (17)	0.081 (3)	0.43 (3)
Zn43	0.4298 (3)	0.8485 (6)	0.6213 (3)	0.108 (7)	0.43 (3)
I406	0.50125 (17)	0.8304 (6)	0.5994 (2)	0.095 (3)	0.43 (3)
I311	0.4128 (2)	0.4932 (4)	0.1480 (2)	0.0837 (13)	0.65 (3)
Zn36	0.44625 (18)	0.3484 (4)	0.13092 (14)	0.0631 (18)	0.65 (3)
I312	0.51452 (14)	0.3342 (5)	0.10374 (18)	0.1005 (17)	0.65 (3)
I407	0.3299 (5)	0.0443 (7)	0.5069 (3)	0.272 (11)	0.353 (15)
Zn44	0.2948 (4)	0.0984 (6)	0.4389 (4)	0.160 (9)	0.353 (15)
I408	0.2202 (3)	0.0469 (6)	0.4070 (4)	0.235 (9)	0.353 (15)
C414	0.4160 (15)	0.796 (2)	0.7012 (10)	0.096 (8)	0.36 (2)
H414	0.400177	0.850093	0.699458	0.115*	0.36 (2)
C804	0.4046 (13)	0.766 (3)	0.3935 (10)	0.147 (16)	0.3581
H80A	0.410246	0.826652	0.384830	0.176*	0.3581
H80B	0.432751	0.737679	0.405002	0.176*	0.3581
C803	0.3766 (14)	0.770 (2)	0.4251 (8)	0.137 (16)	0.3581
H80C	0.391754	0.805229	0.448246	0.164*	0.3581
H80D	0.371790	0.709454	0.434443	0.164*	0.3581
C802	0.3327 (14)	0.814 (2)	0.4075 (10)	0.135 (16)	0.3581
H80E	0.337432	0.875629	0.399067	0.162*	0.3581
H80F	0.314804	0.816583	0.427883	0.162*	0.3581
C801	0.3091 (13)	0.760 (3)	0.3714 (11)	0.156 (16)	0.3581
H80G	0.302879	0.699202	0.380151	0.187*	0.3581
H80H	0.281290	0.788647	0.359668	0.187*	0.3581
C806	0.3371 (15)	0.753 (3)	0.3398 (8)	0.158 (17)	0.3581
H80I	0.322051	0.715973	0.317266	0.190*	0.3581
H80J	0.341347	0.813011	0.329394	0.190*	0.3581
C805	0.3814 (15)	0.711 (3)	0.3574 (11)	0.156 (17)	0.3581
H80K	0.377460	0.649395	0.365736	0.188*	0.3581
H80L	0.399366	0.710037	0.336973	0.188*	0.3581
C4B	0.7369 (19)	0.253 (2)	0.2571 (13)	0.181 (15)	0.3
C5B	0.7634 (18)	0.244 (3)	0.2298 (12)	0.177 (16)	0.3
C6B	0.7787 (18)	0.320 (4)	0.2137 (10)	0.169 (17)	0.3
H6B	0.796821	0.313924	0.195010	0.203*	0.3
C1B	0.767 (2)	0.404 (3)	0.2251 (13)	0.167 (17)	0.3
H1B	0.777889	0.455403	0.214166	0.200*	0.3
C2B	0.741 (3)	0.412 (2)	0.2525 (14)	0.170 (17)	0.3
H2B	0.733247	0.469848	0.260285	0.204*	0.3
C3B	0.726 (2)	0.337 (3)	0.2685 (13)	0.165 (16)	0.3
H3B	0.707540	0.342814	0.287250	0.199*	0.3
C7B	0.7230 (15)	0.171 (2)	0.2767 (12)	0.189 (15)	0.3
C12B	0.6853 (13)	0.128 (3)	0.2583 (12)	0.185 (16)	0.3
C11B	0.6773 (16)	0.041 (3)	0.2692 (15)	0.177 (17)	0.3
H11B	0.651518	0.011640	0.256608	0.212*	0.3
C10B	0.707 (2)	−0.002 (3)	0.2985 (16)	0.169 (17)	0.3
H10B	0.701609	−0.061195	0.306012	0.203*	0.3
C9B	0.7448 (18)	0.041 (3)	0.3169 (12)	0.168 (17)	0.3
H9B	0.765138	0.011498	0.337003	0.202*	0.3
C8B	0.7528 (14)	0.128 (3)	0.3060 (10)	0.171 (16)	0.3
C809	0.4803 (12)	0.2544 (19)	0.5475 (12)	0.080*	0.3171
H80M	0.468868	0.315600	0.542665	0.096*	0.3171
H80N	0.498518	0.252438	0.574671	0.096*	0.3171
C810	0.5081 (12)	0.2322 (19)	0.5174 (11)	0.080*	0.3171
H81A	0.532828	0.273963	0.520752	0.096*	0.3171
H81B	0.490705	0.239772	0.490087	0.096*	0.3171
C811	0.5251 (9)	0.136 (2)	0.5227 (13)	0.080*	0.3171
H81C	0.542650	0.123434	0.502654	0.096*	0.3171
H81D	0.543811	0.129678	0.549425	0.096*	0.3171
C812	0.4875 (11)	0.0706 (19)	0.5180 (12)	0.080*	0.3171
H81E	0.471749	0.070609	0.489909	0.096*	0.3171
H81F	0.499180	0.010002	0.524362	0.096*	0.3171
C807	0.4559 (12)	0.0922 (18)	0.5445 (12)	0.080*	0.3171
H80O	0.469067	0.074076	0.572089	0.096*	0.3171
H80P	0.429513	0.055780	0.535803	0.096*	0.3171
C808	0.4425 (10)	0.190 (2)	0.5450 (13)	0.080*	0.3171
H80Q	0.428806	0.199603	0.568059	0.096*	0.3171
H80R	0.420675	0.202317	0.520577	0.096*	0.3171
C817	0.0843 (18)	0.713 (4)	0.4551 (13)	0.150 (18)	0.2896
H81G	0.074993	0.763837	0.436842	0.180*	0.2896
H81H	0.114843	0.699908	0.454767	0.180*	0.2896
C818	0.0563 (19)	0.632 (4)	0.4408 (11)	0.157 (19)	0.2896
H81I	0.060790	0.613931	0.414208	0.188*	0.2896
H81J	0.025395	0.647721	0.438085	0.188*	0.2896
C813	0.067 (2)	0.553 (3)	0.4695 (14)	0.159 (19)	0.2896
H81K	0.096701	0.532144	0.469631	0.191*	0.2896
H81L	0.046826	0.503394	0.460120	0.191*	0.2896
C814	0.063 (2)	0.579 (4)	0.5118 (13)	0.155 (19)	0.2896
H81M	0.072666	0.528565	0.530045	0.186*	0.2896
H81N	0.032874	0.592826	0.512343	0.186*	0.2896
C815	0.0917 (17)	0.661 (4)	0.5260 (11)	0.145 (19)	0.2896
H81O	0.087631	0.678211	0.552793	0.174*	0.2896
H81P	0.122468	0.644709	0.528213	0.174*	0.2896
C816	0.0803 (19)	0.739 (3)	0.4975 (15)	0.153 (19)	0.2896
H81Q	0.100047	0.789674	0.506808	0.183*	0.2896
H81R	0.050401	0.759160	0.497221	0.183*	0.2896
O2B	0.7884 (18)	0.177 (4)	0.3219 (15)	0.183 (17)	0.3
O3B	0.664 (2)	0.183 (4)	0.2291 (16)	0.20 (2)	0.3
C823	0.6063 (14)	0.064 (2)	0.2270 (13)	0.080*	0.2574
H82A	0.617915	0.123786	0.223284	0.096*	0.2574
H82B	0.587881	0.068904	0.246942	0.096*	0.2574
C822	0.6439 (11)	0.001 (2)	0.2427 (14)	0.080*	0.2574
H82C	0.664877	0.003451	0.224979	0.096*	0.2574
H82D	0.658911	0.020799	0.269475	0.096*	0.2574
C821	0.6290 (14)	−0.095 (2)	0.2453 (12)	0.080*	0.2574
H82E	0.614318	−0.100713	0.267977	0.096*	0.2574
H82F	0.654752	−0.134545	0.250727	0.096*	0.2574
C820	0.5984 (14)	−0.127 (2)	0.2075 (13)	0.080*	0.2574
H82G	0.585808	−0.185151	0.213019	0.096*	0.2574
H82H	0.615173	−0.137130	0.186578	0.096*	0.2574
C819	0.5617 (11)	−0.062 (2)	0.1920 (13)	0.080*	0.2574
H81S	0.541646	−0.060577	0.210649	0.096*	0.2574
H81T	0.545279	−0.083029	0.165912	0.096*	0.2574
C824	0.5787 (14)	0.032 (2)	0.1875 (11)	0.080*	0.2574
H82I	0.554042	0.073131	0.178947	0.096*	0.2574
H82J	0.596265	0.032068	0.166727	0.096*	0.2574
C15B	0.629 (4)	0.146 (7)	0.200 (3)	0.24 (4)	0.3
H15D	0.632856	0.163015	0.173106	0.354*	0.3
H15E	0.601439	0.167992	0.204067	0.354*	0.3
H15F	0.629833	0.080659	0.201924	0.354*	0.3
C14B	0.821 (3)	0.137 (7)	0.353 (3)	0.24 (4)	0.3
H14D	0.836298	0.091385	0.340848	0.357*	0.3
H14E	0.806345	0.108904	0.372342	0.357*	0.3
H14F	0.840817	0.182285	0.365619	0.357*	0.3
O1B	0.803 (3)	0.142 (6)	0.197 (3)	0.26 (3)	0.3
H1BA	0.806824	0.088319	0.192016	0.392*	0.3
C13B	0.771 (3)	0.148 (3)	0.221 (2)	0.203 (19)	0.3
H13C	0.781769	0.115442	0.246457	0.243*	0.3
H13D	0.743918	0.119748	0.207393	0.243*	0.3
C314	0.3966 (7)	0.7479 (17)	0.6827 (7)	0.085 (7)	0.64 (2)
H314	0.370164	0.771404	0.668203	0.101*	0.64 (2)
C315	0.3950 (7)	0.6974 (17)	0.7156 (7)	0.078 (7)	0.64 (2)
H315	0.369282	0.691741	0.725562	0.093*	0.64 (2)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I411	0.138 (8)	0.040 (3)	0.153 (8)	−0.024 (3)	−0.087 (6)	0.013 (4)
I404	0.073 (5)	0.065 (2)	0.135 (4)	−0.005 (2)	−0.007 (3)	−0.036 (3)
I307	0.132 (3)	0.0509 (13)	0.0813 (17)	0.0368 (12)	0.0348 (16)	0.0365 (10)
I308	0.0785 (16)	0.0308 (10)	0.140 (2)	−0.0048 (8)	0.0181 (12)	0.0165 (10)
I403	0.074 (3)	0.0302 (17)	0.152 (3)	−0.0069 (13)	−0.007 (3)	0.0270 (16)
I305	0.322 (12)	0.0400 (18)	0.152 (5)	0.035 (3)	−0.136 (6)	−0.0124 (19)
I301	0.0994 (18)	0.0399 (8)	0.0880 (15)	0.0143 (9)	0.0446 (12)	0.0135 (9)
I310	0.0682 (19)	0.0844 (15)	0.1136 (17)	0.0028 (13)	−0.0043 (14)	−0.0410 (12)
I306	0.196 (7)	0.235 (8)	0.075 (3)	−0.141 (6)	−0.020 (3)	0.011 (4)
I412	0.212 (12)	0.140 (8)	0.127 (8)	−0.069 (7)	−0.012 (6)	0.028 (6)
I302	0.0802 (15)	0.0400 (11)	0.1193 (19)	−0.0067 (9)	0.0097 (13)	−0.0139 (9)
I309	0.1036 (14)	0.0407 (10)	0.120 (3)	0.0033 (8)	−0.0136 (13)	0.0124 (13)
Zn42	0.035 (3)	0.033 (4)	0.109 (7)	0.001 (2)	−0.011 (4)	−0.005 (4)
Zn33	0.071 (4)	0.054 (5)	0.051 (5)	−0.020 (3)	−0.021 (3)	0.007 (3)
Zn46	0.142 (11)	0.043 (5)	0.108 (10)	−0.030 (5)	−0.087 (8)	0.019 (5)
Zn34	0.078 (3)	0.030 (3)	0.075 (3)	0.0083 (18)	0.019 (2)	0.016 (2)
Zn35	0.070 (3)	0.035 (3)	0.087 (5)	0.0111 (19)	−0.028 (3)	−0.025 (2)
Zn31	0.073 (2)	0.036 (2)	0.082 (2)	0.0051 (14)	0.0264 (19)	−0.0038 (17)
N309	0.056 (5)	0.024 (4)	0.061 (5)	−0.001 (4)	−0.005 (4)	0.004 (4)
N308	0.063 (6)	0.025 (4)	0.062 (5)	0.000 (4)	−0.012 (4)	0.007 (4)
N316	0.063 (6)	0.030 (4)	0.064 (6)	0.007 (4)	−0.014 (5)	0.000 (4)
N304	0.071 (6)	0.038 (5)	0.056 (5)	0.001 (4)	0.007 (5)	0.004 (4)
N305	0.064 (6)	0.041 (5)	0.068 (6)	−0.006 (4)	−0.021 (5)	0.002 (5)
N314	0.068 (6)	0.045 (5)	0.053 (5)	0.004 (4)	−0.013 (5)	−0.004 (4)
N310	0.062 (5)	0.027 (4)	0.051 (5)	−0.001 (4)	−0.004 (4)	0.004 (3)
N312	0.098 (8)	0.028 (5)	0.073 (7)	0.001 (5)	0.009 (6)	0.006 (4)
N315	0.071 (7)	0.043 (5)	0.065 (6)	0.004 (5)	−0.008 (5)	−0.009 (4)
N320	0.070 (6)	0.031 (4)	0.066 (6)	−0.005 (4)	−0.019 (5)	0.011 (4)
N322	0.066 (6)	0.037 (5)	0.076 (7)	−0.005 (4)	−0.011 (5)	0.006 (4)
N318	0.078 (7)	0.057 (6)	0.054 (6)	0.006 (5)	−0.008 (5)	0.007 (5)
N311	0.065 (6)	0.023 (4)	0.087 (7)	−0.006 (4)	−0.030 (5)	0.005 (4)
N307	0.089 (7)	0.032 (5)	0.065 (6)	−0.014 (5)	−0.029 (5)	0.014 (4)
N321	0.074 (7)	0.032 (5)	0.075 (7)	0.000 (4)	−0.011 (5)	0.008 (4)
N313	0.093 (8)	0.042 (5)	0.071 (7)	0.001 (5)	0.010 (6)	0.003 (5)
N306	0.074 (7)	0.048 (5)	0.055 (6)	0.005 (5)	−0.004 (5)	0.005 (4)
N319	0.096 (8)	0.037 (5)	0.078 (7)	−0.004 (5)	−0.019 (6)	0.014 (5)
N303	0.075 (7)	0.052 (6)	0.055 (6)	0.007 (5)	0.008 (5)	0.005 (4)
N323	0.099 (9)	0.040 (5)	0.080 (8)	−0.002 (6)	0.018 (7)	−0.006 (5)
C325	0.051 (6)	0.025 (4)	0.048 (5)	0.000 (4)	−0.006 (4)	0.013 (4)
N317	0.068 (7)	0.056 (7)	0.094 (9)	0.011 (5)	−0.009 (6)	0.004 (6)
N324	0.075 (7)	0.030 (5)	0.102 (8)	−0.008 (5)	−0.025 (6)	0.013 (5)
N302	0.100 (9)	0.049 (6)	0.072 (7)	0.015 (6)	0.019 (6)	0.006 (5)
C324	0.052 (6)	0.034 (5)	0.046 (5)	−0.005 (4)	−0.007 (4)	0.006 (4)
C352	0.064 (7)	0.035 (5)	0.056 (6)	0.001 (5)	−0.015 (5)	−0.005 (5)
C326	0.065 (7)	0.029 (5)	0.053 (6)	−0.002 (5)	0.000 (5)	0.005 (4)
C334	0.059 (6)	0.032 (5)	0.052 (6)	0.004 (4)	−0.001 (5)	0.007 (4)
C327	0.055 (6)	0.035 (5)	0.063 (7)	−0.002 (5)	−0.004 (5)	0.006 (5)
C307	0.062 (7)	0.044 (6)	0.051 (6)	0.010 (5)	−0.003 (5)	0.003 (5)
C344	0.056 (6)	0.040 (6)	0.047 (6)	0.000 (5)	−0.019 (5)	−0.005 (4)
C309	0.065 (7)	0.038 (6)	0.053 (6)	−0.001 (5)	−0.008 (5)	0.001 (5)
C321	0.066 (7)	0.037 (6)	0.060 (7)	−0.007 (5)	−0.016 (5)	0.008 (5)
O2A	0.081 (9)	0.056 (7)	0.109 (10)	−0.022 (6)	0.033 (8)	−0.020 (7)
C335	0.059 (7)	0.042 (6)	0.079 (8)	0.000 (5)	−0.005 (6)	0.005 (6)
C336	0.087 (9)	0.032 (5)	0.066 (7)	0.003 (5)	−0.006 (6)	0.005 (5)
C345	0.059 (7)	0.033 (5)	0.084 (9)	0.004 (5)	−0.012 (6)	0.002 (5)
C343	0.065 (7)	0.041 (6)	0.064 (7)	−0.003 (5)	−0.023 (6)	−0.008 (5)
C308	0.076 (8)	0.048 (7)	0.071 (8)	0.018 (6)	0.011 (7)	0.003 (6)
C339	0.077 (8)	0.040 (6)	0.066 (7)	0.003 (6)	−0.005 (6)	0.001 (5)
C349	0.080 (9)	0.048 (7)	0.066 (8)	0.007 (6)	−0.017 (7)	0.000 (6)
O3A	0.131 (12)	0.063 (8)	0.065 (8)	0.048 (8)	0.017 (8)	0.014 (6)
C331	0.082 (8)	0.022 (5)	0.085 (9)	0.001 (5)	−0.010 (7)	0.001 (5)
C316	0.066 (7)	0.047 (6)	0.069 (8)	0.008 (5)	0.006 (6)	0.008 (5)
C357	0.090 (9)	0.037 (6)	0.073 (8)	−0.003 (6)	−0.017 (7)	0.009 (5)
C350	0.056 (7)	0.055 (7)	0.085 (9)	0.006 (6)	−0.022 (7)	0.016 (6)
C303	0.086 (10)	0.068 (8)	0.071 (8)	0.013 (7)	0.027 (7)	−0.001 (7)
C360	0.078 (8)	0.040 (6)	0.071 (8)	0.003 (6)	0.001 (6)	0.016 (5)
N301	0.127 (12)	0.063 (7)	0.110 (11)	0.021 (8)	0.061 (9)	0.006 (7)
C351	0.056 (7)	0.058 (7)	0.069 (8)	0.007 (6)	−0.003 (6)	0.010 (6)
C312	0.055 (7)	0.052 (7)	0.064 (7)	−0.009 (5)	−0.006 (5)	−0.008 (6)
C313	0.074 (8)	0.039 (6)	0.069 (8)	0.009 (5)	0.003 (6)	0.007 (5)
C342	0.069 (7)	0.049 (6)	0.049 (6)	−0.002 (6)	−0.016 (5)	0.001 (5)
C328	0.066 (7)	0.026 (5)	0.102 (10)	−0.007 (5)	−0.027 (7)	−0.006 (6)
C320	0.079 (8)	0.034 (5)	0.054 (6)	−0.003 (5)	−0.018 (6)	0.005 (5)
C363	0.072 (8)	0.044 (6)	0.062 (7)	0.001 (5)	0.006 (6)	0.008 (5)
C319	0.098 (10)	0.039 (6)	0.056 (7)	−0.009 (6)	−0.011 (7)	0.001 (5)
C370	0.070 (8)	0.039 (6)	0.068 (7)	−0.004 (5)	−0.017 (6)	0.015 (5)
C361	0.068 (7)	0.038 (6)	0.063 (7)	−0.002 (5)	−0.001 (6)	0.005 (5)
C362	0.074 (8)	0.032 (5)	0.069 (7)	0.000 (5)	−0.015 (6)	0.019 (5)
C369	0.079 (9)	0.045 (7)	0.084 (9)	0.001 (6)	−0.014 (7)	0.000 (6)
C329	0.079 (9)	0.030 (6)	0.101 (10)	0.009 (5)	−0.031 (8)	−0.005 (6)
C322	0.084 (9)	0.032 (6)	0.093 (9)	0.002 (6)	−0.053 (8)	−0.011 (6)
C333	0.108 (11)	0.039 (6)	0.060 (7)	0.003 (6)	−0.011 (7)	0.002 (5)
O1A	0.069 (8)	0.082 (9)	0.118 (11)	0.015 (7)	0.011 (8)	0.053 (8)
C348	0.081 (9)	0.052 (7)	0.076 (9)	0.014 (6)	−0.024 (7)	−0.009 (6)
C332	0.114 (11)	0.026 (5)	0.080 (9)	0.015 (6)	−0.013 (8)	0.013 (6)
C330	0.079 (9)	0.037 (6)	0.080 (8)	0.005 (6)	−0.034 (7)	−0.003 (6)
C310	0.089 (10)	0.057 (8)	0.071 (8)	0.014 (7)	0.008 (7)	0.018 (6)
C356	0.097 (11)	0.040 (7)	0.103 (11)	0.007 (7)	−0.028 (9)	0.011 (7)
C306	0.099 (10)	0.054 (7)	0.060 (7)	0.014 (7)	0.017 (7)	0.002 (6)
C353	0.098 (11)	0.059 (8)	0.072 (9)	0.022 (7)	−0.006 (8)	0.013 (7)
C358	0.099 (11)	0.037 (6)	0.088 (9)	0.008 (6)	−0.025 (8)	0.015 (6)
C367	0.117 (12)	0.032 (6)	0.089 (10)	−0.008 (7)	−0.015 (9)	−0.006 (6)
C311	0.103 (12)	0.068 (9)	0.085 (10)	0.018 (8)	0.024 (9)	0.035 (8)
C317	0.077 (10)	0.075 (10)	0.109 (12)	0.016 (8)	−0.005 (9)	0.039 (9)
C368	0.072 (8)	0.046 (7)	0.095 (10)	0.004 (6)	−0.025 (7)	0.002 (6)
C364	0.113 (12)	0.035 (6)	0.083 (9)	0.001 (7)	−0.004 (8)	0.008 (6)
C341	0.104 (12)	0.076 (10)	0.106 (12)	0.039 (9)	0.033 (10)	0.045 (9)
C337	0.097 (11)	0.075 (10)	0.076 (9)	0.014 (9)	0.003 (8)	0.011 (8)
C355	0.105 (11)	0.034 (6)	0.105 (11)	−0.008 (7)	−0.052 (9)	0.023 (7)
C365	0.090 (10)	0.041 (7)	0.112 (12)	0.018 (7)	0.020 (9)	0.031 (7)
C366	0.128 (14)	0.055 (8)	0.074 (9)	−0.005 (9)	0.010 (9)	−0.003 (7)
C338	0.084 (10)	0.092 (11)	0.069 (9)	0.031 (8)	0.014 (7)	0.019 (8)
C302	0.134 (15)	0.083 (11)	0.104 (12)	0.040 (11)	0.061 (12)	0.036 (9)
C323	0.113 (12)	0.033 (6)	0.100 (11)	−0.007 (7)	−0.037 (9)	0.001 (6)
C354	0.128 (13)	0.050 (7)	0.071 (9)	0.028 (8)	0.017 (9)	0.014 (6)
C340	0.103 (12)	0.072 (9)	0.086 (10)	0.020 (8)	0.018 (9)	0.036 (8)
C7A	0.095 (12)	0.038 (8)	0.073 (10)	0.010 (8)	0.031 (9)	0.018 (7)
C4A	0.072 (10)	0.025 (7)	0.087 (11)	0.000 (6)	0.015 (8)	0.008 (7)
C5A	0.086 (11)	0.036 (8)	0.105 (13)	−0.002 (8)	0.013 (10)	0.006 (8)
C6A	0.059 (10)	0.043 (9)	0.130 (15)	0.002 (7)	−0.001 (10)	0.027 (10)
C1A	0.052 (9)	0.050 (9)	0.111 (14)	0.000 (7)	−0.026 (9)	−0.023 (10)
C2A	0.047 (8)	0.057 (10)	0.093 (12)	0.005 (7)	−0.009 (8)	−0.024 (9)
C3A	0.046 (8)	0.035 (7)	0.087 (11)	0.003 (6)	−0.018 (8)	−0.002 (7)
C359	0.097 (11)	0.049 (7)	0.101 (11)	0.003 (7)	−0.023 (9)	0.016 (7)
C372	0.120 (14)	0.046 (8)	0.129 (14)	−0.002 (8)	−0.074 (12)	0.004 (8)
C301	0.160 (19)	0.093 (12)	0.094 (12)	0.025 (13)	0.072 (13)	0.030 (10)
C371	0.132 (13)	0.029 (6)	0.113 (12)	0.008 (7)	−0.084 (11)	0.002 (6)
C318	0.078 (10)	0.085 (11)	0.114 (13)	0.005 (8)	0.020 (9)	0.053 (10)
C346	0.126 (15)	0.065 (9)	0.121 (14)	0.025 (10)	0.038 (12)	0.033 (9)
C347	0.105 (14)	0.066 (10)	0.162 (19)	0.025 (10)	0.015 (13)	0.056 (11)
C8A	0.104 (13)	0.042 (8)	0.088 (11)	−0.015 (9)	0.052 (10)	−0.004 (8)
C12A	0.130 (15)	0.038 (8)	0.066 (10)	0.023 (9)	0.046 (10)	0.018 (7)
C304	0.158 (19)	0.109 (14)	0.103 (13)	0.064 (14)	0.063 (13)	0.036 (11)
C9A	0.142 (17)	0.050 (10)	0.092 (13)	−0.020 (11)	0.067 (13)	−0.014 (9)
C10A	0.19 (2)	0.042 (9)	0.087 (13)	−0.005 (12)	0.084 (14)	−0.001 (9)
C305	0.18 (2)	0.118 (16)	0.137 (18)	0.069 (16)	0.102 (18)	0.029 (14)
C11A	0.18 (2)	0.052 (10)	0.074 (12)	0.035 (12)	0.053 (13)	0.020 (9)
C15A	0.13 (2)	0.105 (18)	0.098 (16)	0.053 (16)	0.053 (15)	0.025 (14)
C13A	0.131 (18)	0.049 (10)	0.111 (16)	−0.022 (11)	0.020 (14)	0.023 (11)
C415	0.115 (17)	0.082 (16)	0.090 (16)	0.019 (14)	0.018 (14)	0.022 (13)
C14A	0.072 (15)	0.10 (2)	0.25 (4)	−0.007 (14)	0.02 (2)	−0.04 (2)
I304	0.0456 (18)	0.096 (3)	0.162 (4)	0.0118 (14)	−0.0252 (16)	−0.086 (4)
Zn32	0.098 (7)	0.025 (3)	0.114 (7)	0.003 (3)	−0.056 (5)	−0.010 (3)
I303	0.174 (5)	0.043 (2)	0.196 (5)	−0.031 (2)	−0.120 (5)	0.048 (3)
I409	0.151 (5)	0.047 (3)	0.125 (8)	0.007 (2)	0.010 (4)	0.009 (4)
Zn45	0.084 (8)	0.028 (6)	0.095 (13)	0.008 (4)	−0.023 (8)	−0.024 (6)
I410	0.078 (5)	0.080 (4)	0.133 (6)	0.007 (4)	−0.013 (4)	−0.051 (4)
I401	0.366 (14)	0.075 (3)	0.182 (7)	0.114 (6)	0.186 (9)	0.076 (4)
Zn41	0.249 (15)	0.028 (3)	0.172 (11)	−0.003 (7)	0.130 (11)	−0.001 (5)
I402	0.302 (11)	0.087 (5)	0.358 (14)	−0.099 (6)	0.210 (11)	−0.087 (7)
I405	0.119 (5)	0.0309 (18)	0.070 (3)	−0.0058 (18)	−0.035 (3)	−0.0010 (13)
Zn43	0.196 (14)	0.035 (6)	0.069 (9)	−0.035 (6)	−0.033 (7)	0.016 (5)
I406	0.085 (4)	0.123 (4)	0.081 (4)	−0.057 (3)	0.025 (3)	−0.034 (3)
I311	0.101 (2)	0.0370 (13)	0.0993 (19)	−0.0099 (12)	−0.012 (2)	−0.0023 (10)
Zn36	0.079 (3)	0.050 (3)	0.055 (3)	−0.005 (2)	0.001 (3)	0.0105 (19)
I312	0.100 (3)	0.124 (3)	0.081 (2)	−0.0299 (17)	0.0261 (15)	−0.0039 (18)
I407	0.55 (3)	0.106 (5)	0.244 (12)	0.173 (10)	0.268 (16)	0.118 (7)
Zn44	0.29 (2)	0.014 (6)	0.217 (16)	0.008 (7)	0.150 (15)	0.007 (6)
I408	0.281 (14)	0.060 (3)	0.424 (19)	−0.077 (6)	0.212 (15)	−0.075 (7)
C414	0.115 (17)	0.082 (16)	0.090 (16)	0.019 (14)	0.018 (14)	0.022 (13)
C804	0.30 (4)	0.07 (2)	0.11 (2)	−0.06 (2)	0.13 (3)	−0.033 (18)
C803	0.30 (4)	0.042 (18)	0.11 (2)	−0.07 (2)	0.13 (3)	−0.030 (16)
C802	0.28 (4)	0.06 (2)	0.10 (2)	−0.09 (2)	0.13 (3)	−0.034 (16)
C801	0.30 (4)	0.09 (2)	0.11 (2)	−0.09 (3)	0.13 (3)	−0.056 (19)
C806	0.30 (5)	0.10 (3)	0.11 (2)	−0.09 (3)	0.13 (3)	−0.05 (2)
C805	0.31 (5)	0.09 (2)	0.12 (2)	−0.08 (3)	0.14 (3)	−0.050 (19)
C4B	0.19 (3)	0.25 (3)	0.09 (3)	−0.03 (3)	−0.01 (2)	0.05 (2)
C5B	0.17 (3)	0.25 (3)	0.09 (3)	−0.03 (3)	−0.01 (2)	0.05 (3)
C6B	0.16 (3)	0.26 (4)	0.07 (3)	−0.03 (4)	−0.04 (2)	0.05 (3)
C1B	0.17 (3)	0.25 (3)	0.06 (3)	−0.04 (4)	−0.03 (3)	0.06 (3)
C2B	0.18 (4)	0.25 (3)	0.06 (3)	−0.04 (4)	−0.03 (3)	0.05 (3)
C3B	0.18 (4)	0.24 (3)	0.06 (3)	−0.04 (3)	−0.02 (3)	0.04 (3)
C7B	0.22 (3)	0.23 (3)	0.12 (3)	−0.03 (3)	0.03 (2)	0.03 (2)
C12B	0.22 (4)	0.20 (3)	0.13 (3)	−0.02 (3)	0.03 (2)	0.01 (2)
C11B	0.22 (4)	0.20 (3)	0.12 (3)	−0.01 (3)	0.06 (3)	0.01 (3)
C10B	0.22 (4)	0.20 (4)	0.11 (3)	−0.01 (3)	0.08 (3)	0.01 (3)
C9B	0.21 (4)	0.21 (3)	0.10 (3)	−0.01 (3)	0.08 (3)	0.01 (3)
C8B	0.22 (4)	0.21 (3)	0.09 (3)	−0.01 (3)	0.05 (2)	0.02 (2)
C817	0.07 (3)	0.28 (5)	0.10 (2)	0.00 (3)	0.02 (2)	−0.04 (3)
C818	0.10 (3)	0.28 (6)	0.09 (2)	0.00 (3)	0.02 (3)	−0.05 (3)
C813	0.11 (3)	0.28 (5)	0.08 (2)	−0.01 (3)	0.01 (2)	−0.05 (3)
C814	0.10 (3)	0.28 (5)	0.09 (2)	−0.03 (3)	0.03 (2)	−0.05 (3)
C815	0.08 (3)	0.27 (6)	0.09 (2)	−0.02 (3)	0.02 (2)	−0.05 (3)
C816	0.08 (3)	0.28 (5)	0.10 (3)	−0.02 (3)	0.02 (2)	−0.04 (3)
O2B	0.25 (4)	0.18 (4)	0.10 (3)	0.00 (3)	0.01 (3)	0.00 (3)
O3B	0.25 (4)	0.19 (4)	0.16 (4)	−0.02 (3)	0.00 (3)	0.01 (3)
C15B	0.28 (7)	0.18 (7)	0.21 (6)	0.01 (5)	−0.04 (5)	−0.02 (5)
C14B	0.29 (6)	0.26 (7)	0.13 (5)	0.04 (5)	−0.02 (4)	−0.02 (5)
O1B	0.23 (6)	0.36 (6)	0.20 (5)	−0.08 (5)	0.05 (4)	−0.06 (5)
C13B	0.19 (4)	0.26 (4)	0.15 (4)	−0.04 (4)	0.01 (3)	0.01 (4)
C314	0.085 (14)	0.083 (15)	0.081 (14)	0.033 (11)	0.007 (11)	0.046 (12)
C315	0.064 (12)	0.096 (15)	0.074 (13)	0.030 (11)	0.017 (10)	0.040 (11)

Geometric parameters (Å, º)

I411—Zn46	2.542 (12)	C355—H355	0.9500
I404—Zn42	2.611 (18)	C365—H365	0.9500
I307—Zn34	2.534 (4)	C366—H366	0.9500
I308—Zn34	2.536 (4)	C338—H338	0.9500
I403—Zn42	2.597 (14)	C302—H302	0.9500
I305—Zn33	2.506 (7)	C302—C301	1.35 (2)
I301—Zn31	2.523 (6)	C323—H323	0.9500
I310—Zn35	2.526 (12)	C354—H354	0.9500
I306—Zn33	2.503 (7)	C340—H340	0.9500
I412—Zn46	2.513 (13)	C7A—C4A	1.513 (14)
I302—Zn31	2.517 (6)	C7A—C8A	1.392 (15)
I309—Zn35	2.514 (15)	C7A—C12A	1.405 (15)
Zn42—N305	2.029 (16)	C4A—C5A	1.401 (12)
Zn42—N311^i	2.040 (15)	C4A—C3A	1.389 (13)
Zn33—N307	2.051 (11)	C5A—C6A	1.400 (13)
Zn33—N306	2.056 (12)	C5A—C13A	1.525 (16)
Zn46—N318	2.072 (15)	C6A—H6A	0.9500
Zn46—N319	2.066 (14)	C6A—C1A	1.374 (13)
Zn34—N312	2.094 (10)	C1A—H1A	0.9500
Zn34—N313	2.050 (13)	C1A—C2A	1.392 (13)
Zn35—N317	2.095 (15)	C2A—H2A	0.9500
Zn35—N324^ii	2.135 (14)	C2A—C3A	1.386 (12)
Zn31—N323^iii	2.093 (13)	C3A—H3A	0.9500
Zn31—N301	2.080 (14)	C359—H359	0.9500
N309—C325	1.322 (13)	C372—H372	0.9500
N309—C324	1.360 (13)	C372—C371	1.373 (18)
N308—C324	1.313 (13)	C301—H301	0.9500
N308—C326	1.333 (14)	C371—H371	0.9500
N316—C344	1.356 (14)	C318—H318	0.9500
N316—C343	1.354 (16)	C346—H346	0.9500
N304—C307	1.345 (15)	C346—C347	1.40 (2)
N304—C308	1.357 (15)	C347—H347	0.9500
N305—C312	1.338 (16)	C8A—C9A	1.398 (15)
N305—C311	1.330 (19)	C12A—C11A	1.399 (15)
N305—Zn32	2.141 (16)	C304—H30A	0.9500
N314—C344	1.323 (16)	C304—C305	1.39 (2)
N314—C342	1.342 (15)	C9A—H9A	0.9500
N310—C325	1.325 (13)	C9A—C10A	1.362 (17)
N310—C326	1.330 (13)	C10A—H10A	0.9500
N312—C336	1.319 (15)	C10A—C11A	1.372 (17)
N312—C332	1.297 (17)	C305—H305	0.9500
N312—Zn44	2.061 (13)	C11A—H11A	0.9500
N315—C343	1.333 (18)	C15A—H15A	0.9800
N315—C342	1.313 (15)	C15A—H15B	0.9800
N320—C360	1.325 (15)	C15A—H15C	0.9800
N320—C362	1.340 (15)	C13A—H13A	0.9900
N322—C361	1.357 (15)	C13A—H13B	0.9900
N322—C362	1.345 (15)	C415—H415	0.9500
N318—C350	1.333 (18)	C415—C414	1.38 (3)
N318—C354	1.323 (17)	C14A—H14A	0.9800
N318—Zn36	2.069 (11)	C14A—H14B	0.9800
N311—C329	1.348 (15)	C14A—H14C	0.9800
N311—C330	1.333 (15)	I304—Zn32	2.468 (18)
N311—Zn32^iv	2.096 (14)	Zn32—I303	2.489 (16)
N307—C319	1.333 (16)	I409—Zn45	2.66 (3)
N307—C323	1.339 (17)	Zn45—I410	2.52 (2)
N307—Zn43	2.109 (13)	I401—Zn41	2.536 (11)
N321—C360	1.312 (15)	Zn41—I402	2.531 (13)
N321—C361	1.320 (15)	I405—Zn43	2.554 (9)
N313—C341	1.302 (18)	Zn43—I406	2.537 (11)
N313—C337	1.333 (19)	I311—Zn36	2.540 (6)
N313—Zn44	2.054 (17)	Zn36—I312	2.532 (5)
N306—C318	1.286 (18)	I407—Zn44	2.505 (13)
N306—Zn43	2.048 (13)	Zn44—I408	2.509 (13)
N306—C414	1.38 (3)	C414—H414	0.9500
N306—C314	1.35 (2)	C804—H80A	0.9900
N319—C355	1.337 (17)	C804—H80B	0.9900
N319—C359	1.354 (17)	C804—C803	1.541 (13)
N319—Zn36	2.065 (12)	C804—C805	1.536 (13)
N303—C307	1.308 (16)	C803—H80C	0.9900
N303—C306	1.322 (16)	C803—H80D	0.9900
N323—C365	1.29 (2)	C803—C802	1.540 (13)
N323—C366	1.317 (19)	C802—H80E	0.9900
N323—Zn41^v	2.076 (15)	C802—H80F	0.9900
C325—C327	1.514 (14)	C802—C801	1.543 (13)
N317—C348	1.306 (19)	C801—H80G	0.9900
N317—C347	1.30 (2)	C801—H80H	0.9900
N317—Zn45	1.95 (3)	C801—C806	1.540 (13)
N324—C368	1.325 (16)	C806—H80I	0.9900
N324—C372	1.294 (18)	C806—H80J	0.9900
N324—Zn45^vi	1.95 (3)	C806—C805	1.539 (13)
N302—C308	1.313 (17)	C805—H80K	0.9900
N302—C306	1.356 (17)	C805—H80L	0.9900
C324—C321	1.465 (14)	C4B—C5B	1.3900
C352—C344	1.480 (16)	C4B—C3B	1.3900
C352—C351	1.363 (16)	C4B—C7B	1.51 (2)
C352—C353	1.35 (2)	C5B—C6B	1.3900
C326—C334	1.497 (14)	C5B—C13B	1.51 (2)
C334—C335	1.383 (16)	C6B—H6B	0.9500
C334—C333	1.377 (16)	C6B—C1B	1.3900
C327—C331	1.356 (16)	C1B—H1B	0.9500
C327—C328	1.358 (16)	C1B—C2B	1.3900
C307—C309	1.501 (15)	C2B—H2B	0.9500
C309—C313	1.373 (18)	C2B—C3B	1.3900
C309—C310	1.392 (17)	C3B—H3B	0.9500
C321—C320	1.364 (16)	C7B—C12B	1.3900
C321—C322	1.404 (16)	C7B—C8B	1.3900
O2A—C8A	1.360 (15)	C12B—C11B	1.3900
O2A—C14A	1.404 (18)	C12B—O3B	1.37 (2)
C335—H335	0.9500	C11B—H11B	0.9500
C335—C336	1.374 (16)	C11B—C10B	1.3900
C336—H336	0.9500	C10B—H10B	0.9500
C345—C343	1.482 (16)	C10B—C9B	1.3900
C345—C349	1.38 (2)	C9B—H9B	0.9500
C345—C346	1.38 (2)	C9B—C8B	1.3900
C308—C316	1.451 (18)	C8B—O2B	1.37 (2)
C339—C342	1.490 (19)	C809—H80M	0.9900
C339—C338	1.376 (18)	C809—H80N	0.9900
C339—C340	1.351 (19)	C809—C810	1.528 (13)
C349—H349	0.9500	C809—C808	1.530 (13)
C349—C348	1.405 (18)	C810—H81A	0.9900
O3A—C12A	1.366 (15)	C810—H81B	0.9900
O3A—C15A	1.420 (17)	C810—C811	1.534 (13)
C331—H331	0.9500	C811—H81C	0.9900
C331—C330	1.411 (16)	C811—H81D	0.9900
C316—C317	1.33 (2)	C811—C812	1.529 (13)
C316—C415	1.44 (3)	C812—H81E	0.9900
C316—C315	1.43 (2)	C812—H81F	0.9900
C357—C360	1.526 (18)	C812—C807	1.521 (13)
C357—C356	1.357 (18)	C807—H80O	0.9900
C357—C358	1.369 (18)	C807—H80P	0.9900
C350—H350	0.9500	C807—C808	1.524 (13)
C350—C351	1.396 (18)	C808—H80Q	0.9900
C303—C306	1.497 (19)	C808—H80R	0.9900
C303—C302	1.36 (2)	C817—H81G	0.9900
C303—C304	1.36 (2)	C817—H81H	0.9900
N301—C301	1.33 (2)	C817—C818	1.532 (13)
N301—C305	1.28 (2)	C817—C816	1.536 (13)
N301—Zn41	2.076 (16)	C818—H81I	0.9900
C351—H351	0.9500	C818—H81J	0.9900
C312—H312	0.9500	C818—C813	1.533 (13)
C312—C313	1.368 (17)	C813—H81K	0.9900
C313—H313	0.9500	C813—H81L	0.9900
C328—H328	0.9500	C813—C814	1.534 (13)
C328—C329	1.363 (16)	C814—H81M	0.9900
C320—H320	0.9500	C814—H81N	0.9900
C320—C319	1.371 (16)	C814—C815	1.535 (13)
C363—C361	1.478 (16)	C815—H81O	0.9900
C363—C367	1.350 (18)	C815—H81P	0.9900
C363—C364	1.373 (18)	C815—C816	1.533 (13)
C319—H319	0.9500	C816—H81Q	0.9900
C370—C362	1.475 (15)	C816—H81R	0.9900
C370—C369	1.358 (17)	O2B—C14B	1.44 (2)
C370—C371	1.381 (17)	O3B—C15B	1.44 (2)
C369—H369	0.9500	C823—H82A	0.9900
C369—C368	1.389 (18)	C823—H82B	0.9900
C329—H329	0.9500	C823—C822	1.529 (13)
C322—H32A	0.9500	C823—C824	1.533 (13)
C322—C323	1.366 (17)	C822—H82C	0.9900
C333—H333	0.9500	C822—H82D	0.9900
C333—C332	1.376 (16)	C822—C821	1.527 (13)
O1A—H1AA	0.8400	C821—H82E	0.9900
O1A—C13A	1.415 (13)	C821—H82F	0.9900
C348—H348	0.9500	C821—C820	1.528 (13)
C332—H332	0.9500	C820—H82G	0.9900
C330—H330	0.9500	C820—H82H	0.9900
C310—H310	0.9500	C820—C819	1.528 (13)
C310—C311	1.37 (2)	C819—H81S	0.9900
C356—H356	0.9500	C819—H81T	0.9900
C356—C355	1.434 (19)	C819—C824	1.532 (13)
C353—H353	0.9500	C824—H82I	0.9900
C353—C354	1.396 (19)	C824—H82J	0.9900
C358—H358	0.9500	C15B—H15D	0.9800
C358—C359	1.37 (2)	C15B—H15E	0.9800
C367—H367	0.9500	C15B—H15F	0.9800
C367—C366	1.379 (19)	C14B—H14D	0.9800
C311—H311	0.9500	C14B—H14E	0.9800
C317—H317	0.9500	C14B—H14F	0.9800
C317—C318	1.41 (2)	O1B—H1BA	0.8400
C368—H368	0.9500	O1B—C13B	1.42 (2)
C364—H364	0.9500	C13B—H13C	0.9900
C364—C365	1.419 (19)	C13B—H13D	0.9900
C341—H341	0.9500	C314—H314	0.9500
C341—C340	1.41 (2)	C314—C315	1.37 (2)
C337—H337	0.9500	C315—H315	0.9500
C337—C338	1.35 (2)
I403—Zn42—I404	125.6 (6)	C3A—C2A—C1A	119.0 (9)
N305—Zn42—I404	112.4 (8)	C3A—C2A—H2A	120.5
N305—Zn42—I403	105.1 (5)	C4A—C3A—H3A	119.7
N305—Zn42—N311^i	103.4 (7)	C2A—C3A—C4A	120.6 (9)
N311^i—Zn42—I404	102.5 (6)	C2A—C3A—H3A	119.7
N311^i—Zn42—I403	105.5 (7)	N319—C359—C358	123.1 (13)
I306—Zn33—I305	124.3 (4)	N319—C359—H359	118.5
N307—Zn33—I305	109.0 (4)	C358—C359—H359	118.5
N307—Zn33—I306	105.9 (5)	N324—C372—H372	116.8
N307—Zn33—N306	103.4 (5)	N324—C372—C371	126.5 (13)
N306—Zn33—I305	104.1 (5)	C371—C372—H372	116.8
N306—Zn33—I306	108.5 (4)	N301—C301—C302	123.4 (16)
I412—Zn46—I411	123.7 (7)	N301—C301—H301	118.3
N318—Zn46—I411	107.3 (7)	C302—C301—H301	118.3
N318—Zn46—I412	111.0 (8)	C370—C371—H371	121.9
N319—Zn46—I411	102.9 (7)	C372—C371—C370	116.2 (12)
N319—Zn46—I412	107.8 (7)	C372—C371—H371	121.9
N319—Zn46—N318	101.8 (6)	N306—C318—C317	123.1 (16)
I307—Zn34—I308	121.02 (18)	N306—C318—H318	118.4
N312—Zn34—I307	109.8 (4)	C317—C318—H318	118.4
N312—Zn34—I308	108.2 (4)	C345—C346—H346	121.4
N313—Zn34—I307	107.5 (4)	C345—C346—C347	117.1 (17)
N313—Zn34—I308	107.0 (4)	C347—C346—H346	121.4
N313—Zn34—N312	101.6 (5)	N317—C347—C346	125.6 (17)
I309—Zn35—I310	127.8 (4)	N317—C347—H347	117.2
N317—Zn35—I310	110.1 (7)	C346—C347—H347	117.2
N317—Zn35—I309	104.8 (6)	O2A—C8A—C7A	115.5 (12)
N317—Zn35—N324^ii	94.9 (5)	O2A—C8A—C9A	124.8 (15)
N324^ii—Zn35—I310	105.5 (7)	C7A—C8A—C9A	119.6 (14)
N324^ii—Zn35—I309	108.8 (6)	O3A—C12A—C7A	116.2 (12)
I302—Zn31—I301	122.0 (3)	O3A—C12A—C11A	124.5 (15)
N323^iii—Zn31—I301	109.1 (4)	C11A—C12A—C7A	119.3 (14)
N323^iii—Zn31—I302	107.1 (4)	C303—C304—H30A	120.1
N301—Zn31—I301	104.4 (5)	C303—C304—C305	119.8 (17)
N301—Zn31—I302	110.7 (6)	C305—C304—H30A	120.1
N301—Zn31—N323^iii	101.8 (6)	C8A—C9A—H9A	120.2
C325—N309—C324	114.3 (8)	C10A—C9A—C8A	119.7 (16)
C324—N308—C326	115.6 (9)	C10A—C9A—H9A	120.2
C343—N316—C344	113.4 (11)	C9A—C10A—H10A	119.0
C307—N304—C308	113.1 (11)	C9A—C10A—C11A	122.0 (15)
C312—N305—Zn42	122.4 (11)	C11A—C10A—H10A	119.0
C312—N305—Zn32	121.7 (11)	N301—C305—C304	122.0 (19)
C311—N305—Zn42	117.9 (9)	N301—C305—H305	119.0
C311—N305—C312	119.4 (11)	C304—C305—H305	119.0
C311—N305—Zn32	118.8 (9)	C12A—C11A—H11A	120.3
C344—N314—C342	114.3 (10)	C10A—C11A—C12A	119.4 (16)
C325—N310—C326	113.5 (9)	C10A—C11A—H11A	120.3
C336—N312—Zn34	121.8 (9)	O3A—C15A—H15A	109.5
C336—N312—Zn44	121.4 (9)	O3A—C15A—H15B	109.5
C332—N312—Zn34	120.4 (8)	O3A—C15A—H15C	109.5
C332—N312—C336	117.8 (10)	H15A—C15A—H15B	109.5
C332—N312—Zn44	120.8 (9)	H15A—C15A—H15C	109.5
C342—N315—C343	114.1 (11)	H15B—C15A—H15C	109.5
C360—N320—C362	114.1 (10)	O1A—C13A—C5A	113.9 (14)
C362—N322—C361	114.9 (10)	O1A—C13A—H13A	108.8
C350—N318—Zn46	124.7 (10)	O1A—C13A—H13B	108.8
C350—N318—Zn36	118.8 (8)	C5A—C13A—H13A	108.8
C354—N318—Zn46	117.2 (12)	C5A—C13A—H13B	108.8
C354—N318—C350	118.0 (12)	H13A—C13A—H13B	107.7
C354—N318—Zn36	123.0 (10)	C316—C415—H415	120.0
Zn42^iv—N311—Zn32^iv	3.5 (7)	C414—C415—C316	120 (3)
C329—N311—Zn42^iv	121.6 (8)	C414—C415—H415	120.0
C329—N311—Zn32^iv	119.1 (8)	O2A—C14A—H14A	109.5
C330—N311—Zn42^iv	119.7 (8)	O2A—C14A—H14B	109.5
C330—N311—C329	118.6 (10)	O2A—C14A—H14C	109.5
C330—N311—Zn32^iv	122.1 (8)	H14A—C14A—H14B	109.5
C319—N307—Zn33	122.9 (8)	H14A—C14A—H14C	109.5
C319—N307—C323	117.7 (11)	H14B—C14A—H14C	109.5
C319—N307—Zn43	122.8 (8)	N305—Zn32—I304	106.6 (7)
C323—N307—Zn33	119.1 (9)	N305—Zn32—I303	109.3 (7)
C323—N307—Zn43	119.2 (9)	N311^i—Zn32—N305	97.8 (6)
C360—N321—C361	114.8 (10)	N311^i—Zn32—I304	107.2 (7)
C341—N313—Zn34	120.4 (11)	N311^i—Zn32—I303	109.4 (7)
C341—N313—C337	115.9 (14)	I304—Zn32—I303	123.5 (6)
C341—N313—Zn44	119.5 (11)	N317—Zn45—N324^ii	106.1 (12)
C337—N313—Zn34	123.7 (10)	N317—Zn45—I409	109.7 (14)
C337—N313—Zn44	124.6 (11)	N317—Zn45—I410	99.2 (13)
C318—N306—Zn33	123.4 (11)	N324^ii—Zn45—I409	109.4 (12)
C318—N306—Zn43	123.1 (11)	N324^ii—Zn45—I410	104.9 (14)
C318—N306—C414	108.9 (16)	I410—Zn45—I409	125.7 (9)
C318—N306—C314	114.9 (12)	N323^iii—Zn41—N301	102.5 (7)
C414—N306—Zn33	119.7 (12)	N323^iii—Zn41—I401	116.7 (6)
C314—N306—Zn43	120.0 (10)	N323^iii—Zn41—I402	100.3 (6)
C355—N319—Zn46	117.3 (10)	N301—Zn41—I401	115.5 (7)
C355—N319—C359	116.3 (12)	N301—Zn41—I402	98.4 (7)
C355—N319—Zn36	122.1 (9)	I402—Zn41—I401	120.3 (5)
C359—N319—Zn46	125.7 (10)	N307—Zn43—I405	107.6 (5)
C359—N319—Zn36	121.4 (9)	N307—Zn43—I406	103.4 (6)
C307—N303—C306	114.5 (11)	N306—Zn43—N307	101.7 (5)
C365—N323—Zn31^v	126.5 (10)	N306—Zn43—I405	109.3 (6)
C365—N323—C366	118.4 (12)	N306—Zn43—I406	106.3 (5)
C365—N323—Zn41^v	111.0 (11)	I406—Zn43—I405	125.9 (4)
C366—N323—Zn31^v	115.1 (10)	N318—Zn36—I311	107.8 (4)
C366—N323—Zn41^v	130.3 (12)	N318—Zn36—I312	105.9 (4)
N309—C325—N310	126.7 (9)	N319—Zn36—N318	102.0 (5)
N309—C325—C327	115.4 (9)	N319—Zn36—I311	106.6 (4)
N310—C325—C327	117.9 (9)	N319—Zn36—I312	106.4 (5)
C348—N317—Zn35	121.8 (12)	I312—Zn36—I311	125.8 (3)
C348—N317—Zn45	131.9 (15)	N312—Zn44—I407	107.6 (6)
C347—N317—Zn35	121.2 (11)	N312—Zn44—I408	105.5 (6)
C347—N317—C348	116.7 (13)	N313—Zn44—N312	102.6 (6)
C347—N317—Zn45	110.0 (14)	N313—Zn44—I407	105.7 (6)
C368—N324—Zn35^vi	122.6 (9)	N313—Zn44—I408	113.7 (7)
C368—N324—Zn45^vi	122.7 (12)	I407—Zn44—I408	120.1 (6)
C372—N324—Zn35^vi	120.3 (10)	N306—C414—H414	120.5
C372—N324—C368	116.2 (11)	C415—C414—N306	119 (2)
C372—N324—Zn45^vi	120.9 (13)	C415—C414—H414	120.5
C308—N302—C306	115.1 (11)	H80A—C804—H80B	108.1
N309—C324—C321	116.4 (9)	C803—C804—H80A	109.6
N308—C324—N309	123.9 (9)	C803—C804—H80B	109.6
N308—C324—C321	119.7 (9)	C805—C804—H80A	109.6
C351—C352—C344	119.7 (12)	C805—C804—H80B	109.6
C353—C352—C344	121.7 (11)	C805—C804—C803	110.2 (18)
C353—C352—C351	118.6 (12)	C804—C803—H80C	109.7
N308—C326—C334	117.2 (9)	C804—C803—H80D	109.7
N310—C326—N308	125.6 (9)	C804—C803—C802	110.0 (16)
N310—C326—C334	117.3 (9)	H80C—C803—H80D	108.2
C335—C334—C326	122.4 (10)	C802—C803—H80C	109.7
C333—C334—C326	120.6 (10)	C802—C803—H80D	109.7
C333—C334—C335	117.0 (10)	C803—C802—H80E	109.7
C331—C327—C325	119.6 (10)	C803—C802—H80F	109.7
C331—C327—C328	119.1 (11)	C803—C802—C801	109.7 (17)
C328—C327—C325	121.3 (10)	H80E—C802—H80F	108.2
N304—C307—C309	115.1 (11)	C801—C802—H80E	109.7
N303—C307—N304	127.1 (10)	C801—C802—H80F	109.7
N303—C307—C309	117.8 (10)	C802—C801—H80G	109.6
N316—C344—C352	116.5 (11)	C802—C801—H80H	109.6
N314—C344—N316	125.5 (11)	H80G—C801—H80H	108.1
N314—C344—C352	117.9 (10)	C806—C801—C802	110.4 (17)
C313—C309—C307	121.8 (10)	C806—C801—H80G	109.6
C313—C309—C310	118.1 (11)	C806—C801—H80H	109.6
C310—C309—C307	120.1 (12)	C801—C806—H80I	109.5
C320—C321—C324	122.3 (10)	C801—C806—H80J	109.5
C320—C321—C322	117.3 (10)	H80I—C806—H80J	108.0
C322—C321—C324	120.3 (10)	C805—C806—C801	110.9 (18)
C8A—O2A—C14A	117.0 (17)	C805—C806—H80I	109.5
C334—C335—H335	120.7	C805—C806—H80J	109.5
C336—C335—C334	118.7 (11)	C804—C805—C806	110.2 (18)
C336—C335—H335	120.7	C804—C805—H80K	109.6
N312—C336—C335	123.6 (12)	C804—C805—H80L	109.6
N312—C336—H336	118.2	C806—C805—H80K	109.6
C335—C336—H336	118.2	C806—C805—H80L	109.6
C349—C345—C343	122.5 (12)	H80K—C805—H80L	108.1
C349—C345—C346	118.0 (12)	C5B—C4B—C3B	120.0
C346—C345—C343	119.5 (14)	C5B—C4B—C7B	119.7 (16)
N316—C343—C345	115.8 (13)	C3B—C4B—C7B	120.1 (16)
N315—C343—N316	125.9 (11)	C4B—C5B—C13B	112 (3)
N315—C343—C345	118.2 (12)	C6B—C5B—C4B	120.0
N304—C308—C316	116.7 (12)	C6B—C5B—C13B	128 (3)
N302—C308—N304	125.1 (12)	C5B—C6B—H6B	120.0
N302—C308—C316	118.1 (11)	C5B—C6B—C1B	120.0
C338—C339—C342	121.3 (12)	C1B—C6B—H6B	120.0
C340—C339—C342	120.2 (12)	C6B—C1B—H1B	120.0
C340—C339—C338	118.5 (14)	C6B—C1B—C2B	120.0
C345—C349—H349	120.8	C2B—C1B—H1B	120.0
C345—C349—C348	118.3 (13)	C1B—C2B—H2B	120.0
C348—C349—H349	120.8	C3B—C2B—C1B	120.0
C12A—O3A—C15A	116.9 (17)	C3B—C2B—H2B	120.0
C327—C331—H331	120.3	C4B—C3B—H3B	120.0
C327—C331—C330	119.3 (10)	C2B—C3B—C4B	120.0
C330—C331—H331	120.3	C2B—C3B—H3B	120.0
C317—C316—C308	122.3 (12)	C12B—C7B—C4B	118.7 (16)
C317—C316—C415	101 (2)	C12B—C7B—C8B	120.0
C317—C316—C315	116.7 (13)	C8B—C7B—C4B	119.3 (16)
C415—C316—C308	122.8 (16)	C7B—C12B—C11B	120.0
C315—C316—C308	119.8 (14)	O3B—C12B—C7B	107 (4)
C356—C357—C360	118.0 (12)	O3B—C12B—C11B	132 (4)
C356—C357—C358	120.9 (13)	C12B—C11B—H11B	120.0
C358—C357—C360	121.0 (11)	C12B—C11B—C10B	120.0
N318—C350—H350	118.5	C10B—C11B—H11B	120.0
N318—C350—C351	122.9 (12)	C11B—C10B—H10B	120.0
C351—C350—H350	118.5	C9B—C10B—C11B	120.0
C302—C303—C306	121.1 (14)	C9B—C10B—H10B	120.0
C302—C303—C304	117.3 (14)	C10B—C9B—H9B	120.0
C304—C303—C306	121.4 (14)	C10B—C9B—C8B	120.0
N320—C360—C357	115.2 (10)	C8B—C9B—H9B	120.0
N321—C360—N320	127.3 (12)	C9B—C8B—C7B	120.0
N321—C360—C357	117.5 (11)	O2B—C8B—C7B	114 (4)
C301—N301—Zn31	126.0 (12)	O2B—C8B—C9B	126 (4)
C301—N301—Zn41	113.3 (12)	H80M—C809—H80N	107.9
C305—N301—Zn31	115.9 (13)	C810—C809—H80M	109.2
C305—N301—C301	118.0 (15)	C810—C809—H80N	109.2
C305—N301—Zn41	128.1 (13)	C810—C809—C808	112.0 (19)
C352—C351—C350	118.4 (13)	C808—C809—H80M	109.2
C352—C351—H351	120.8	C808—C809—H80N	109.2
C350—C351—H351	120.8	C809—C810—H81A	109.4
N305—C312—H312	119.5	C809—C810—H81B	109.4
N305—C312—C313	120.9 (13)	C809—C810—C811	111.0 (17)
C313—C312—H312	119.5	H81A—C810—H81B	108.0
C309—C313—H313	119.7	C811—C810—H81A	109.4
C312—C313—C309	120.5 (12)	C811—C810—H81B	109.4
C312—C313—H313	119.7	C810—C811—H81C	109.5
N314—C342—C339	116.2 (11)	C810—C811—H81D	109.5
N315—C342—N314	126.8 (13)	H81C—C811—H81D	108.1
N315—C342—C339	116.9 (11)	C812—C811—C810	110.5 (17)
C327—C328—H328	119.9	C812—C811—H81C	109.5
C327—C328—C329	120.2 (11)	C812—C811—H81D	109.5
C329—C328—H328	119.9	C811—C812—H81E	109.0
C321—C320—H320	120.1	C811—C812—H81F	109.0
C321—C320—C319	119.8 (11)	H81E—C812—H81F	107.8
C319—C320—H320	120.1	C807—C812—C811	113.0 (17)
C367—C363—C361	122.5 (11)	C807—C812—H81E	109.0
C367—C363—C364	116.0 (12)	C807—C812—H81F	109.0
C364—C363—C361	121.5 (12)	C812—C807—H80O	108.4
N307—C319—C320	123.1 (12)	C812—C807—H80P	108.4
N307—C319—H319	118.5	C812—C807—C808	115.4 (17)
C320—C319—H319	118.5	H80O—C807—H80P	107.5
C369—C370—C362	121.8 (11)	C808—C807—H80O	108.4
C369—C370—C371	119.5 (11)	C808—C807—H80P	108.4
C371—C370—C362	118.7 (11)	C809—C808—H80Q	108.9
N322—C361—C363	114.0 (10)	C809—C808—H80R	108.9
N321—C361—N322	124.3 (10)	C807—C808—C809	113.5 (16)
N321—C361—C363	121.7 (10)	C807—C808—H80Q	108.9
N320—C362—N322	124.1 (10)	C807—C808—H80R	108.9
N320—C362—C370	118.5 (10)	H80Q—C808—H80R	107.7
N322—C362—C370	117.4 (10)	H81G—C817—H81H	108.1
C370—C369—H369	120.8	C818—C817—H81G	109.5
C370—C369—C368	118.3 (12)	C818—C817—H81H	109.5
C368—C369—H369	120.8	C818—C817—C816	111 (2)
N311—C329—C328	121.9 (11)	C816—C817—H81G	109.5
N311—C329—H329	119.0	C816—C817—H81H	109.5
C328—C329—H329	119.0	C817—C818—H81I	109.2
C321—C322—H32A	120.3	C817—C818—H81J	109.2
C323—C322—C321	119.5 (11)	C817—C818—C813	112 (2)
C323—C322—H32A	120.3	H81I—C818—H81J	107.9
C334—C333—H333	120.3	C813—C818—H81I	109.2
C332—C333—C334	119.5 (12)	C813—C818—H81J	109.2
C332—C333—H333	120.3	C818—C813—H81K	109.4
C13A—O1A—H1AA	109.5	C818—C813—H81L	109.4
N317—C348—C349	124.1 (16)	C818—C813—C814	111 (2)
N317—C348—H348	117.9	H81K—C813—H81L	108.0
C349—C348—H348	117.9	C814—C813—H81K	109.4
N312—C332—C333	123.2 (12)	C814—C813—H81L	109.4
N312—C332—H332	118.4	C813—C814—H81M	109.5
C333—C332—H332	118.4	C813—C814—H81N	109.5
N311—C330—C331	120.8 (10)	C813—C814—C815	110.7 (19)
N311—C330—H330	119.6	H81M—C814—H81N	108.1
C331—C330—H330	119.6	C815—C814—H81M	109.5
C309—C310—H310	120.7	C815—C814—H81N	109.5
C311—C310—C309	118.6 (14)	C814—C815—H81O	109.3
C311—C310—H310	120.7	C814—C815—H81P	109.3
C357—C356—H356	121.9	H81O—C815—H81P	108.0
C357—C356—C355	116.1 (12)	C816—C815—C814	112 (2)
C355—C356—H356	121.9	C816—C815—H81O	109.3
N303—C306—N302	125.0 (13)	C816—C815—H81P	109.3
N303—C306—C303	118.6 (12)	C817—C816—H81Q	109.5
N302—C306—C303	116.4 (12)	C817—C816—H81R	109.5
C352—C353—H353	119.8	C815—C816—C817	110.9 (19)
C352—C353—C354	120.3 (13)	C815—C816—H81Q	109.5
C354—C353—H353	119.8	C815—C816—H81R	109.5
C357—C358—H358	120.3	H81Q—C816—H81R	108.1
C359—C358—C357	119.5 (12)	C8B—O2B—C14B	117 (3)
C359—C358—H358	120.3	C12B—O3B—C15B	118 (3)
C363—C367—H367	119.3	H82A—C823—H82B	107.9
C363—C367—C366	121.4 (14)	C822—C823—H82A	109.2
C366—C367—H367	119.3	C822—C823—H82B	109.2
N305—C311—C310	122.4 (13)	C822—C823—C824	112 (2)
N305—C311—H311	118.8	C824—C823—H82A	109.2
C310—C311—H311	118.8	C824—C823—H82B	109.2
C316—C317—H317	119.6	C823—C822—H82C	109.1
C316—C317—C318	120.8 (14)	C823—C822—H82D	109.1
C318—C317—H317	119.6	H82C—C822—H82D	107.9
N324—C368—C369	123.2 (12)	C821—C822—C823	112.4 (18)
N324—C368—H368	118.4	C821—C822—H82C	109.1
C369—C368—H368	118.4	C821—C822—H82D	109.1
C363—C364—H364	120.1	C822—C821—H82E	108.9
C363—C364—C365	119.7 (14)	C822—C821—H82F	108.9
C365—C364—H364	120.1	C822—C821—C820	113.4 (18)
N313—C341—H341	117.8	H82E—C821—H82F	107.7
N313—C341—C340	124.3 (14)	C820—C821—H82E	108.9
C340—C341—H341	117.8	C820—C821—H82F	108.9
N313—C337—H337	117.8	C821—C820—H82G	108.9
N313—C337—C338	124.3 (14)	C821—C820—H82H	108.9
C338—C337—H337	117.8	C821—C820—C819	113.4 (18)
N319—C355—C356	124.0 (12)	H82G—C820—H82H	107.7
N319—C355—H355	118.0	C819—C820—H82G	108.9
C356—C355—H355	118.0	C819—C820—H82H	108.9
N323—C365—C364	122.0 (13)	C820—C819—H81S	109.3
N323—C365—H365	119.0	C820—C819—H81T	109.3
C364—C365—H365	119.0	C820—C819—C824	111.8 (18)
N323—C366—C367	122.3 (15)	H81S—C819—H81T	107.9
N323—C366—H366	118.8	C824—C819—H81S	109.3
C367—C366—H366	118.8	C824—C819—H81T	109.3
C339—C338—H338	120.4	C823—C824—H82I	109.6
C337—C338—C339	119.2 (14)	C823—C824—H82J	109.6
C337—C338—H338	120.4	C819—C824—C823	110.2 (18)
C303—C302—H302	120.4	C819—C824—H82I	109.6
C301—C302—C303	119.2 (16)	C819—C824—H82J	109.6
C301—C302—H302	120.4	H82I—C824—H82J	108.1
N307—C323—C322	122.2 (13)	O3B—C15B—H15D	109.5
N307—C323—H323	118.9	O3B—C15B—H15E	109.5
C322—C323—H323	118.9	O3B—C15B—H15F	109.5
N318—C354—C353	121.4 (15)	H15D—C15B—H15E	109.5
N318—C354—H354	119.3	H15D—C15B—H15F	109.5
C353—C354—H354	119.3	H15E—C15B—H15F	109.5
C339—C340—C341	117.7 (13)	O2B—C14B—H14D	109.5
C339—C340—H340	121.2	O2B—C14B—H14E	109.5
C341—C340—H340	121.2	O2B—C14B—H14F	109.5
C8A—C7A—C4A	121.8 (13)	H14D—C14B—H14E	109.5
C8A—C7A—C12A	119.9 (12)	H14D—C14B—H14F	109.5
C12A—C7A—C4A	118.3 (13)	H14E—C14B—H14F	109.5
C5A—C4A—C7A	120.2 (10)	C13B—O1B—H1BA	109.5
C3A—C4A—C7A	119.2 (10)	C5B—C13B—H13C	109.8
C3A—C4A—C5A	120.5 (8)	C5B—C13B—H13D	109.8
C4A—C5A—C13A	120.5 (11)	O1B—C13B—C5B	110 (3)
C6A—C5A—C4A	118.2 (9)	O1B—C13B—H13C	109.8
C6A—C5A—C13A	121.3 (11)	O1B—C13B—H13D	109.8
C5A—C6A—H6A	119.6	H13C—C13B—H13D	108.2
C1A—C6A—C5A	120.9 (9)	N306—C314—H314	117.4
C1A—C6A—H6A	119.6	N306—C314—C315	125.1 (17)
C6A—C1A—H1A	119.6	C315—C314—H314	117.4
C6A—C1A—C2A	120.8 (9)	C316—C315—H315	121.8
C2A—C1A—H1A	119.6	C314—C315—C316	116.4 (17)
C1A—C2A—H2A	120.5	C314—C315—H315	121.8
Zn42—N305—C312—C313	−170.3 (10)	C306—N302—C308—C316	178.6 (13)
Zn42—N305—C311—C310	170.1 (13)	C306—C303—C302—C301	177.1 (18)
Zn42^iv—N311—C329—C328	−176.9 (13)	C306—C303—C304—C305	−178 (2)
Zn42^iv—N311—C330—C331	177.6 (12)	C353—C352—C344—N316	2.4 (16)
Zn33—N307—C319—C320	174.1 (11)	C353—C352—C344—N314	−173.9 (11)
Zn33—N307—C323—C322	−179.3 (14)	C353—C352—C351—C350	6.7 (18)
Zn33—N306—C318—C317	−178.0 (14)	C358—C357—C360—N320	0 (2)
Zn33—N306—C414—C415	−174 (4)	C358—C357—C360—N321	−179.1 (15)
Zn46—N318—C350—C351	172.9 (10)	C358—C357—C356—C355	−1 (3)
Zn46—N318—C354—C353	−172.6 (13)	C367—C363—C361—N322	9 (2)
Zn46—N319—C355—C356	−170.4 (15)	C367—C363—C361—N321	−173.0 (15)
Zn46—N319—C359—C358	167.7 (15)	C367—C363—C364—C365	−1 (2)
Zn34—N312—C336—C335	179.5 (11)	C311—N305—C312—C313	2.8 (18)
Zn34—N312—C332—C333	177.9 (13)	C317—C316—C415—C414	50 (5)
Zn34—N313—C341—C340	−177.5 (14)	C317—C316—C315—C314	−7 (3)
Zn34—N313—C337—C338	176.9 (13)	C368—N324—C372—C371	−1 (3)
Zn35—N317—C348—C349	−173.4 (10)	C364—C363—C361—N322	−171.3 (14)
Zn35—N317—C347—C346	174.4 (17)	C364—C363—C361—N321	7 (2)
Zn35^vi—N324—C368—C369	−170.1 (13)	C364—C363—C367—C366	1 (3)
Zn35^vi—N324—C372—C371	167.9 (19)	C341—N313—C337—C338	−2 (2)
Zn31^v—N323—C365—C364	−179.2 (12)	C337—N313—C341—C340	1 (3)
Zn31^v—N323—C366—C367	178.9 (14)	C355—N319—C359—C358	−2 (3)
Zn31—N301—C301—C302	170.3 (17)	C365—N323—C366—C367	−3 (3)
Zn31—N301—C305—C304	−172 (2)	C366—N323—C365—C364	3 (2)
N309—C325—C327—C331	−177.8 (12)	C338—C339—C342—N314	−157.6 (13)
N309—C325—C327—C328	0.3 (17)	C338—C339—C342—N315	23.0 (18)
N309—C324—C321—C320	8.6 (18)	C338—C339—C340—C341	−3 (2)
N309—C324—C321—C322	−175.1 (13)	C302—C303—C306—N303	18 (2)
N308—C324—C321—C320	−171.3 (12)	C302—C303—C306—N302	−163.0 (17)
N308—C324—C321—C322	5.0 (19)	C302—C303—C304—C305	−3 (3)
N308—C326—C334—C335	−169.4 (12)	C323—N307—C319—C320	0 (2)
N308—C326—C334—C333	10.6 (18)	C354—N318—C350—C351	−2 (2)
N304—C307—C309—C313	−9.1 (16)	C340—C339—C342—N314	19.6 (18)
N304—C307—C309—C310	168.4 (12)	C340—C339—C342—N315	−159.8 (13)
N304—C308—C316—C317	−19 (2)	C340—C339—C338—C337	2 (2)
N304—C308—C316—C415	−152 (3)	C7A—C4A—C5A—C6A	−176.5 (17)
N304—C308—C316—C315	147.8 (17)	C7A—C4A—C5A—C13A	0 (3)
N305—C312—C313—C309	0.1 (18)	C7A—C4A—C3A—C2A	175.1 (15)
N310—C325—C327—C331	−0.2 (17)	C7A—C8A—C9A—C10A	3 (2)
N310—C325—C327—C328	177.9 (12)	C7A—C12A—C11A—C10A	1 (2)
N310—C326—C334—C335	11.0 (18)	C4A—C7A—C8A—O2A	−3.0 (18)
N310—C326—C334—C333	−168.9 (12)	C4A—C7A—C8A—C9A	175.9 (15)
N318—C350—C351—C352	−2.7 (19)	C4A—C7A—C12A—O3A	3.3 (17)
N313—C341—C340—C339	1 (3)	C4A—C7A—C12A—C11A	−178.1 (15)
N313—C337—C338—C339	0 (3)	C4A—C5A—C6A—C1A	1 (3)
N306—C314—C315—C316	−7 (4)	C4A—C5A—C13A—O1A	158.6 (19)
N303—C307—C309—C313	169.5 (11)	C5A—C4A—C3A—C2A	−2 (3)
N303—C307—C309—C310	−12.9 (17)	C5A—C6A—C1A—C2A	−1 (3)
C325—N309—C324—N308	−3.3 (17)	C6A—C5A—C13A—O1A	−25 (3)
C325—N309—C324—C321	176.8 (10)	C6A—C1A—C2A—C3A	0 (3)
C325—N310—C326—N308	−7.6 (17)	C1A—C2A—C3A—C4A	2 (2)
C325—N310—C326—C334	171.9 (10)	C3A—C4A—C5A—C6A	0 (3)
C325—C327—C331—C330	178.9 (13)	C3A—C4A—C5A—C13A	176.7 (19)
C325—C327—C328—C329	−178.1 (14)	C359—N319—C355—C356	0 (3)
N324—C372—C371—C370	3 (4)	C372—N324—C368—C369	−1 (3)
N302—C308—C316—C317	164.3 (15)	C301—N301—C305—C304	6 (4)
N302—C308—C316—C415	31 (3)	C371—C370—C362—N320	−176.9 (15)
N302—C308—C316—C315	−28 (2)	C371—C370—C362—N322	1 (2)
C324—N309—C325—N310	1.5 (17)	C371—C370—C369—C368	0 (2)
C324—N309—C325—C327	178.9 (10)	C318—N306—C414—C415	−24 (5)
C324—N308—C326—N310	6.2 (18)	C318—N306—C314—C315	19 (4)
C324—N308—C326—C334	−173.4 (10)	C346—C345—C343—N316	177.5 (13)
C324—C321—C320—C319	176.8 (12)	C346—C345—C343—N315	−5.9 (18)
C324—C321—C322—C323	178.5 (15)	C346—C345—C349—C348	−3 (2)
C352—C353—C354—N318	1 (2)	C347—N317—C348—C349	0 (2)
C326—N308—C324—N309	−0.2 (17)	C8A—C7A—C4A—C5A	72 (2)
C326—N308—C324—C321	179.7 (11)	C8A—C7A—C4A—C3A	−104.5 (17)
C326—N310—C325—N309	3.5 (17)	C8A—C7A—C12A—O3A	−179.0 (14)
C326—N310—C325—C327	−173.8 (10)	C8A—C7A—C12A—C11A	−0.3 (16)
C326—C334—C335—C336	−177.4 (12)	C8A—C9A—C10A—C11A	−2 (3)
C326—C334—C333—C332	175.0 (14)	C12A—C7A—C4A—C5A	−110.2 (18)
C334—C335—C336—N312	1 (2)	C12A—C7A—C4A—C3A	73.2 (19)
C334—C333—C332—N312	5 (3)	C12A—C7A—C8A—O2A	179.3 (14)
C327—C331—C330—N311	−1 (2)	C12A—C7A—C8A—C9A	−1.7 (15)
C327—C328—C329—N311	−1 (3)	C304—C303—C306—N303	−167.3 (18)
C307—N304—C308—N302	−0.3 (19)	C304—C303—C306—N302	12 (2)
C307—N304—C308—C316	−176.2 (11)	C304—C303—C302—C301	2 (3)
C307—N303—C306—N302	1 (2)	C9A—C10A—C11A—C12A	0 (3)
C307—N303—C306—C303	180.0 (12)	C305—N301—C301—C302	−7 (3)
C307—C309—C313—C312	175.1 (11)	C15A—O3A—C12A—C7A	174.7 (14)
C307—C309—C310—C311	−175.6 (13)	C15A—O3A—C12A—C11A	−4 (2)
C344—N316—C343—N315	−1.0 (15)	C13A—C5A—C6A—C1A	−175.3 (19)
C344—N316—C343—C345	175.3 (9)	C415—C316—C317—C318	−42 (3)
C344—N314—C342—N315	−2.7 (16)	C14A—O2A—C8A—C7A	178 (2)
C344—N314—C342—C339	177.9 (9)	C14A—O2A—C8A—C9A	0 (3)
C344—C352—C351—C350	−176.7 (10)	Zn32—N305—C312—C313	−172.8 (9)
C344—C352—C353—C354	177.4 (13)	Zn32—N305—C311—C310	172.4 (13)
C309—C310—C311—N305	1 (2)	Zn32^iv—N311—C329—C328	−174.1 (13)
C321—C320—C319—N307	2 (2)	Zn32^iv—N311—C330—C331	174.7 (12)
C321—C322—C323—N307	8 (3)	Zn45—N317—C348—C349	−164.8 (14)
O2A—C8A—C9A—C10A	−178.4 (17)	Zn45—N317—C347—C346	169 (2)
C335—C334—C333—C332	−5 (2)	Zn45^vi—N324—C368—C369	176.0 (16)
C336—N312—C332—C333	−2 (3)	Zn45^vi—N324—C372—C371	−178 (2)
C345—C349—C348—N317	1 (2)	Zn41^v—N323—C365—C364	178.1 (13)
C345—C346—C347—N317	−3 (3)	Zn41^v—N323—C366—C367	−176.9 (14)
C343—N316—C344—N314	−0.8 (15)	Zn41—N301—C301—C302	−179.0 (18)
C343—N316—C344—C352	−176.8 (9)	Zn41—N301—C305—C304	176.6 (19)
C343—N315—C342—N314	1.2 (17)	Zn43—N307—C319—C320	174.0 (11)
C343—N315—C342—C339	−179.5 (10)	Zn43—N307—C323—C322	−179.2 (14)
C343—C345—C349—C348	175.3 (11)	Zn43—N306—C318—C317	−179.9 (14)
C343—C345—C346—C347	−174.5 (16)	Zn43—N306—C314—C315	−177 (2)
C308—N304—C307—N303	−2.5 (18)	Zn36—N318—C350—C351	173.1 (10)
C308—N304—C307—C309	175.9 (10)	Zn36—N318—C354—C353	−172.2 (12)
C308—N302—C306—N303	−3 (2)	Zn36—N319—C355—C356	−174.4 (14)
C308—N302—C306—C303	177.7 (13)	Zn36—N319—C359—C358	172.6 (14)
C308—C316—C317—C318	176.9 (15)	Zn44—N312—C336—C335	179.5 (12)
C308—C316—C415—C414	−169 (4)	Zn44—N312—C332—C333	177.9 (13)
C308—C316—C315—C314	−175 (2)	Zn44—N313—C341—C340	−178.1 (15)
C349—C345—C343—N316	−1.2 (16)	Zn44—N313—C337—C338	177.5 (14)
C349—C345—C343—N315	175.4 (11)	C414—N306—C318—C317	33 (3)
C349—C345—C346—C347	4 (3)	C804—C803—C802—C801	59 (3)
O3A—C12A—C11A—C10A	179.9 (17)	C803—C804—C805—C806	58 (4)
C331—C327—C328—C329	0 (2)	C803—C802—C801—C806	−58 (3)
C316—C317—C318—N306	3 (3)	C802—C801—C806—C805	57 (4)
C316—C415—C414—N306	−19 (7)	C801—C806—C805—C804	−57 (4)
C357—C356—C355—N319	1 (3)	C805—C804—C803—C802	−59 (3)
C357—C358—C359—N319	2 (3)	C4B—C5B—C6B—C1B	0.0
C350—N318—C354—C353	3 (2)	C4B—C5B—C13B—O1B	−173 (6)
C303—C302—C301—N301	3 (3)	C4B—C7B—C12B—C11B	163 (3)
C303—C304—C305—N301	−1 (4)	C4B—C7B—C12B—O3B	−13 (4)
C360—N320—C362—N322	2 (2)	C4B—C7B—C8B—C9B	−163 (3)
C360—N320—C362—C370	179.2 (12)	C4B—C7B—C8B—O2B	17 (3)
C360—N321—C361—N322	3 (2)	C5B—C4B—C3B—C2B	0.0
C360—N321—C361—C363	−174.7 (13)	C5B—C4B—C7B—C12B	−89 (3)
C360—C357—C356—C355	175.9 (15)	C5B—C4B—C7B—C8B	74 (3)
C360—C357—C358—C359	−177.5 (15)	C5B—C6B—C1B—C2B	0.0
C351—C352—C344—N316	−174.1 (10)	C6B—C5B—C13B—O1B	8 (7)
C351—C352—C344—N314	9.6 (15)	C6B—C1B—C2B—C3B	0.0
C351—C352—C353—C354	−6 (2)	C1B—C2B—C3B—C4B	0.0
C312—N305—C311—C310	−3 (2)	C3B—C4B—C5B—C6B	0.0
C313—C309—C310—C311	2 (2)	C3B—C4B—C5B—C13B	−179 (2)
C342—N314—C344—N316	2.5 (15)	C3B—C4B—C7B—C12B	95 (3)
C342—N314—C344—C352	178.4 (9)	C3B—C4B—C7B—C8B	−101 (3)
C342—N315—C343—N316	0.8 (16)	C7B—C4B—C5B—C6B	−176 (3)
C342—N315—C343—C345	−175.4 (10)	C7B—C4B—C5B—C13B	5 (4)
C342—C339—C338—C337	179.4 (14)	C7B—C4B—C3B—C2B	176 (3)
C342—C339—C340—C341	−179.9 (14)	C7B—C12B—C11B—C10B	0.0
C328—C327—C331—C330	1 (2)	C7B—C12B—O3B—C15B	165 (8)
C320—C321—C322—C323	−5 (2)	C7B—C8B—O2B—C14B	180 (7)
C363—C367—C366—N323	1 (3)	C12B—C7B—C8B—C9B	0.0
C363—C364—C365—N323	−1 (3)	C12B—C7B—C8B—O2B	−180 (3)
C319—N307—C323—C322	−5 (2)	C12B—C11B—C10B—C9B	0.0
C370—C369—C368—N324	2 (3)	C11B—C12B—O3B—C15B	−10 (10)
C361—N322—C362—N320	4 (2)	C11B—C10B—C9B—C8B	0.0
C361—N322—C362—C370	−173.7 (12)	C10B—C9B—C8B—C7B	0.0
C361—N321—C360—N320	3 (2)	C10B—C9B—C8B—O2B	180 (3)
C361—N321—C360—C357	−177.5 (13)	C9B—C8B—O2B—C14B	0 (7)
C361—C363—C367—C366	−178.8 (15)	C8B—C7B—C12B—C11B	0.0
C361—C363—C364—C365	178.8 (14)	C8B—C7B—C12B—O3B	−176 (3)
C362—N320—C360—N321	−6 (2)	C809—C810—C811—C812	59 (4)
C362—N320—C360—C357	175.0 (12)	C810—C809—C808—C807	48 (4)
C362—N322—C361—N321	−7 (2)	C810—C811—C812—C807	−53 (4)
C362—N322—C361—C363	171.7 (12)	C811—C812—C807—C808	46 (4)
C362—C370—C369—C368	180.0 (14)	C812—C807—C808—C809	−43 (5)
C362—C370—C371—C372	177.9 (18)	C808—C809—C810—C811	−57 (4)
C369—C370—C362—N320	3 (2)	C817—C818—C813—C814	55 (5)
C369—C370—C362—N322	−179.5 (14)	C818—C817—C816—C815	56 (5)
C369—C370—C371—C372	−2 (3)	C818—C813—C814—C815	−55 (5)
C329—N311—C330—C331	0 (2)	C813—C814—C815—C816	56 (4)
C322—C321—C320—C319	0 (2)	C814—C815—C816—C817	−56 (4)
C333—C334—C335—C336	3 (2)	C816—C817—C818—C813	−55 (5)
C348—N317—C347—C346	1 (3)	O3B—C12B—C11B—C10B	175 (4)
C332—N312—C336—C335	−1 (2)	C823—C822—C821—C820	48 (5)
C330—N311—C329—C328	0 (2)	C822—C823—C824—C819	57 (4)
C310—C309—C313—C312	−2.5 (18)	C822—C821—C820—C819	−48 (5)
C356—C357—C360—N320	−176.9 (15)	C821—C820—C819—C824	52 (4)
C356—C357—C360—N321	4 (2)	C820—C819—C824—C823	−56 (4)
C356—C357—C358—C359	0 (3)	C824—C823—C822—C821	−53 (5)
C306—N303—C307—N304	2.3 (19)	C13B—C5B—C6B—C1B	179 (3)
C306—N303—C307—C309	−176.1 (11)	C314—N306—C318—C317	−16 (3)
C306—N302—C308—N304	3 (2)	C315—C316—C317—C318	9 (3)

Symmetry codes: (i) x+1/2, −y+1, z+1/2; (ii) x+1/2, −y, z+1/2; (iii) x, y+1, z+1; (iv) x−1/2, −y+1, z−1/2; (v) x, y−1, z−1; (vi) x−1/2, −y, z−1/2.

[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (50_5_48c)

Crystal data

C36H24I6N12Zn3	F(000) = 5856
Mr = 1582.18	Dx = 1.380 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.412 (2) Å	Cell parameters from 8962 reflections
b = 15.0303 (5) Å	θ = 3.2–65.1°
c = 29.994 (3) Å	µ = 20.39 mm^−1
β = 100.858 (7)°	T = 100 K
V = 15235.8 (18) Å^3	Block, colourless
Z = 8	0.19 × 0.17 × 0.07 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	13941 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	8014 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.083
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −41→40
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −18→16
Tmin = 0.067, Tmax = 0.350	l = −36→36
90613 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.090	H-atom parameters constrained
wR(F^2) = 0.334	w = 1/[σ^2(Fo^2) + (0.1949P)^2 + 22.6024P] where P = (Fo^2 + 2Fc^2)/3
S = 1.11	(Δ/σ)max = 0.001
13941 reflections	Δρmax = 0.93 e Å^−3
619 parameters	Δρmin = −0.75 e Å^−3
24 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. No guests or solvent were identified from the electron density map, SQUEEZE has been applied to address the residual electron density within the pore.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I303	0.38236 (17)	0.2658 (3)	0.44257 (13)	0.1017 (9)	0.49
I304	0.47780 (12)	0.3481 (3)	0.36162 (13)	0.0961 (8)	0.49
I402	0.1112 (3)	0.2538 (4)	0.0980 (3)	0.187 (3)	0.3806
I305	0.26638 (9)	0.76692 (12)	0.70369 (12)	0.1562 (9)	0.651 (2)
I306	0.37278 (10)	0.83707 (12)	0.80627 (7)	0.1556 (9)	0.651 (2)
I401	0.1495 (3)	0.4063 (9)	−0.0174 (3)	0.177 (2)	0.3806
Zn32	0.42145 (18)	0.3757 (3)	0.40328 (15)	0.0776 (16)	0.49
Zn41	0.1270 (5)	0.3946 (8)	0.0587 (5)	0.119 (2)	0.3806
Zn33	0.32878 (11)	0.85743 (14)	0.72998 (12)	0.1203 (9)	0.651 (2)
N302	0.2816 (2)	0.5541 (4)	0.2240 (3)	0.099 (3)
N304	0.3187 (3)	0.6828 (5)	0.2486 (4)	0.107 (3)
N308	0.4297 (4)	0.7220 (6)	0.5586 (4)	0.109 (3)
N309	0.4831 (3)	0.7687 (5)	0.5246 (4)	0.105 (3)
N303	0.2665 (3)	0.6922 (6)	0.1855 (4)	0.112 (3)
N306	0.3818 (3)	0.4495 (5)	0.3571 (4)	0.110 (3)
N310	0.4638 (4)	0.8539 (7)	0.5839 (4)	0.116 (4)
C307	0.2944 (3)	0.7291 (5)	0.2143 (5)	0.104 (4)
C324	0.4541 (4)	0.7128 (8)	0.5307 (5)	0.105 (4)
C308	0.3101 (3)	0.5963 (5)	0.2513 (4)	0.100 (4)
C319	0.4685 (3)	0.5352 (8)	0.4473 (5)	0.105 (3)
H319	0.485989	0.521296	0.427340	0.126*
C320	0.4752 (4)	0.6133 (6)	0.4734 (5)	0.103 (4)
H320	0.495885	0.653389	0.470532	0.123*
C325	0.4863 (4)	0.8373 (5)	0.5525 (5)	0.109 (5)
C326	0.4356 (4)	0.7938 (7)	0.5850 (5)	0.104 (4)
C315	0.3269 (3)	0.4592 (6)	0.2949 (4)	0.115 (5)
H315	0.305591	0.431006	0.275164	0.138*
N312	0.3582 (5)	0.8399 (7)	0.6754 (6)	0.156 (6)
C321	0.4498 (4)	0.6287 (6)	0.5035 (5)	0.099 (4)
C309	0.3012 (4)	0.8259 (6)	0.2156 (5)	0.110 (4)
C314	0.3504 (4)	0.4126 (6)	0.3302 (4)	0.115 (4)
H314	0.343917	0.352524	0.335375	0.138*
C334	0.4096 (5)	0.8037 (8)	0.6173 (5)	0.118 (4)
C303	0.2298 (4)	0.5613 (7)	0.1582 (5)	0.112 (4)
C306	0.2603 (3)	0.6058 (6)	0.1897 (5)	0.107 (4)
C316	0.3353 (3)	0.5454 (7)	0.2897 (4)	0.102 (4)
C304	0.2236 (4)	0.4705 (7)	0.1625 (6)	0.143 (7)
H304	0.239256	0.437224	0.186147	0.171*
C302	0.2073 (5)	0.6038 (8)	0.1220 (6)	0.149 (7)
H302	0.211118	0.665508	0.117660	0.179*
C301	0.1789 (5)	0.5583 (7)	0.0917 (6)	0.164 (8)
H301	0.164450	0.587999	0.065916	0.196*
C323	0.4154 (5)	0.4967 (8)	0.4780 (7)	0.140 (6)
H323	0.395343	0.454828	0.481061	0.168*
C322	0.4186 (5)	0.5747 (10)	0.5048 (6)	0.132 (5)
H322	0.399564	0.588672	0.522977	0.159*
C311	0.2864 (6)	0.9729 (11)	0.1891 (8)	0.164 (7)
H311	0.271722	1.011746	0.167195	0.197*
C335	0.4149 (7)	0.8774 (11)	0.6504 (7)	0.153 (6)
H335	0.436114	0.918407	0.651422	0.184*
C305	0.1942 (4)	0.4299 (7)	0.1317 (7)	0.176 (9)
H305	0.190104	0.367853	0.134727	0.211*
C318	0.3887 (4)	0.5354 (8)	0.3483 (6)	0.156 (8)
H318	0.411330	0.563351	0.365728	0.187*
C317	0.3646 (5)	0.5851 (7)	0.3150 (7)	0.176 (9)
H317	0.369638	0.646517	0.311017	0.212*
C310	0.2777 (5)	0.8813 (7)	0.1866 (7)	0.170 (8)
H310	0.256018	0.858980	0.165153	0.204*
C336	0.3899 (7)	0.8856 (11)	0.6784 (7)	0.147 (6)
H336	0.395726	0.928001	0.702252	0.176*
C332	0.3494 (7)	0.7748 (10)	0.6439 (7)	0.151 (6)
H332	0.326271	0.739220	0.641606	0.181*
C312	0.3360 (8)	0.9537 (10)	0.2478 (7)	0.190 (10)
H312	0.356833	0.978871	0.269368	0.227*
C333	0.3753 (6)	0.7638 (9)	0.6165 (8)	0.142 (6)
H333	0.368024	0.721238	0.592980	0.170*
C313	0.3298 (7)	0.8644 (9)	0.2463 (8)	0.181 (9)
H313	0.346366	0.827695	0.267653	0.217*
I302	0.11920 (18)	0.2643 (3)	0.0764 (3)	0.301 (5)	0.5997
Zn31	0.1338 (4)	0.4140 (6)	0.0438 (4)	0.187 (5)	0.5997
I301	0.1588 (2)	0.4443 (6)	−0.0298 (3)	0.273 (5)	0.5997
I405	0.2441 (2)	0.7865 (3)	0.6708 (3)	0.176 (3)	0.316 (2)
Zn43	0.3084 (3)	0.8557 (3)	0.7083 (3)	0.1203 (9)	0.316 (2)
I406	0.3427 (3)	0.8072 (3)	0.7866 (3)	0.190 (3)	0.316 (2)
N307	0.4385 (3)	0.4794 (6)	0.4494 (4)	0.112 (3)
C327	0.5188 (4)	0.9026 (6)	0.5495 (6)	0.118 (5)
N301	0.1719 (4)	0.4722 (6)	0.0989 (6)	0.165 (7)
N305	0.3125 (6)	1.0045 (7)	0.2190 (7)	0.163 (6)
C331	0.5342 (6)	0.9535 (13)	0.5877 (8)	0.183 (9)
H331	0.524438	0.947782	0.615119	0.220*
I502	0.1378 (10)	0.285 (2)	0.0435 (12)	0.080*	0.0197
Zn51	0.1391 (15)	0.453 (3)	0.0334 (8)	0.080*	0.0197
I501	0.1564 (13)	0.496 (3)	−0.0429 (12)	0.080*	0.0197
I505	0.2354 (7)	0.8067 (19)	0.6452 (8)	0.080*	0.0322 (17)
I506	0.3164 (6)	0.7921 (15)	0.7834 (7)	0.080*	0.0322 (17)
Zn53	0.2916 (13)	0.852 (3)	0.6899 (16)	0.080*	0.0322 (17)
C328	0.5367 (4)	0.9058 (7)	0.5125 (7)	0.124 (5)
H328	0.527771	0.868582	0.487039	0.148*
C329	0.5677 (4)	0.9627 (9)	0.5125 (7)	0.141 (6)
H329	0.579623	0.965392	0.486425	0.169*
N311	0.5815 (4)	1.0144 (9)	0.5478 (7)	0.142 (6)
C330	0.5646 (8)	1.0133 (15)	0.5839 (11)	0.206 (13)
H330	0.573391	1.054033	0.607948	0.247*
I403	0.3894 (2)	0.2635 (3)	0.4357 (2)	0.170 (3)	0.4646
Zn42	0.4248 (3)	0.3823 (5)	0.4002 (3)	0.155 (5)	0.4646
I404	0.4829 (3)	0.3557 (7)	0.3613 (3)	0.212 (4)	0.4646
I503	0.3607 (5)	0.2804 (11)	0.4518 (6)	0.080*	0.0454
I504	0.4688 (10)	0.342 (2)	0.3751 (12)	0.080*	0.0454
Zn52	0.4102 (18)	0.375 (5)	0.411 (2)	0.080*	0.0454

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I303	0.119 (2)	0.0626 (15)	0.1169 (15)	−0.0232 (11)	0.0062 (14)	−0.0101 (11)
I304	0.0914 (15)	0.0980 (18)	0.0906 (17)	0.0242 (12)	−0.0040 (11)	0.0036 (14)
I402	0.172 (3)	0.0410 (16)	0.299 (7)	−0.0120 (16)	−0.080 (4)	0.005 (2)
I305	0.191 (2)	0.0606 (9)	0.222 (3)	−0.0307 (10)	0.0521 (17)	−0.0339 (11)
I306	0.240 (3)	0.0720 (9)	0.1411 (14)	0.0317 (12)	0.0003 (14)	0.0125 (8)
I401	0.111 (3)	0.213 (6)	0.182 (4)	0.009 (3)	−0.035 (2)	−0.096 (4)
Zn32	0.079 (3)	0.059 (3)	0.081 (3)	0.003 (2)	−0.021 (3)	−0.003 (2)
Zn41	0.098 (3)	0.054 (5)	0.170 (5)	0.011 (3)	−0.061 (3)	−0.020 (3)
Zn33	0.166 (3)	0.0420 (8)	0.141 (3)	0.0122 (13)	−0.0033 (17)	0.0009 (12)
N302	0.089 (5)	0.037 (3)	0.147 (7)	0.012 (3)	−0.038 (5)	−0.002 (4)
N304	0.101 (5)	0.040 (4)	0.154 (8)	0.003 (3)	−0.046 (5)	−0.002 (4)
N308	0.109 (7)	0.073 (5)	0.123 (8)	0.005 (5)	−0.035 (6)	−0.006 (5)
N309	0.102 (6)	0.056 (4)	0.133 (7)	−0.010 (4)	−0.038 (5)	0.008 (4)
N303	0.102 (6)	0.056 (4)	0.157 (9)	0.016 (4)	−0.029 (6)	0.001 (5)
N306	0.115 (6)	0.036 (3)	0.147 (8)	0.013 (3)	−0.058 (6)	−0.010 (4)
N310	0.114 (7)	0.071 (6)	0.137 (9)	0.005 (5)	−0.044 (7)	−0.009 (5)
C307	0.097 (6)	0.024 (3)	0.171 (10)	0.009 (3)	−0.029 (6)	−0.005 (4)
C324	0.096 (7)	0.081 (7)	0.114 (9)	−0.004 (6)	−0.041 (7)	0.000 (6)
C308	0.102 (6)	0.031 (3)	0.142 (9)	0.001 (4)	−0.040 (6)	−0.009 (4)
C319	0.086 (6)	0.086 (7)	0.126 (9)	0.007 (5)	−0.024 (6)	0.009 (6)
C320	0.094 (7)	0.050 (5)	0.141 (10)	−0.004 (4)	−0.038 (7)	−0.003 (5)
C325	0.114 (8)	0.025 (4)	0.162 (11)	−0.003 (4)	−0.044 (8)	0.001 (5)
C326	0.110 (8)	0.064 (6)	0.117 (9)	−0.002 (5)	−0.035 (7)	0.000 (5)
C315	0.120 (7)	0.036 (4)	0.154 (10)	−0.005 (4)	−0.067 (7)	−0.007 (5)
N312	0.222 (15)	0.046 (5)	0.210 (15)	0.015 (7)	0.068 (12)	0.012 (7)
C321	0.095 (7)	0.053 (5)	0.129 (9)	−0.006 (5)	−0.036 (7)	0.000 (5)
C309	0.135 (9)	0.034 (4)	0.141 (10)	−0.001 (5)	−0.023 (7)	−0.006 (5)
C314	0.139 (9)	0.040 (4)	0.136 (9)	0.001 (5)	−0.049 (7)	0.001 (5)
C334	0.132 (10)	0.073 (7)	0.131 (11)	0.004 (7)	−0.023 (9)	0.008 (7)
C303	0.110 (7)	0.055 (5)	0.146 (10)	0.021 (5)	−0.040 (7)	0.004 (5)
C306	0.114 (7)	0.034 (4)	0.154 (10)	0.018 (4)	−0.026 (7)	0.008 (5)
C316	0.094 (6)	0.064 (5)	0.124 (8)	0.013 (4)	−0.039 (6)	−0.006 (5)
C304	0.118 (8)	0.061 (6)	0.200 (14)	0.013 (5)	−0.098 (9)	−0.012 (7)
C302	0.159 (11)	0.065 (6)	0.174 (13)	0.035 (7)	−0.092 (10)	−0.022 (7)
C301	0.163 (12)	0.054 (6)	0.216 (16)	0.035 (7)	−0.111 (12)	−0.028 (7)
C323	0.153 (12)	0.052 (6)	0.222 (18)	−0.036 (7)	0.050 (13)	−0.018 (8)
C322	0.141 (11)	0.100 (9)	0.148 (12)	−0.042 (8)	0.007 (9)	−0.040 (8)
C311	0.167 (15)	0.080 (10)	0.23 (2)	0.025 (10)	−0.008 (15)	0.029 (11)
C335	0.182 (16)	0.098 (11)	0.174 (16)	−0.030 (10)	0.019 (14)	−0.040 (11)
C305	0.132 (10)	0.047 (5)	0.29 (2)	0.016 (6)	−0.108 (13)	−0.008 (8)
C318	0.137 (10)	0.071 (7)	0.208 (15)	−0.015 (6)	−0.100 (11)	0.028 (8)
C317	0.159 (12)	0.048 (5)	0.26 (2)	−0.008 (6)	−0.123 (13)	−0.006 (8)
C310	0.169 (12)	0.029 (5)	0.28 (2)	0.022 (6)	−0.046 (13)	0.029 (7)
C336	0.215 (19)	0.072 (9)	0.158 (15)	0.023 (11)	0.044 (14)	0.003 (8)
C332	0.193 (17)	0.071 (8)	0.193 (17)	−0.010 (9)	0.048 (15)	−0.030 (9)
C312	0.29 (3)	0.053 (7)	0.185 (16)	−0.052 (11)	−0.057 (16)	0.011 (8)
C333	0.173 (15)	0.063 (7)	0.189 (17)	−0.010 (8)	0.031 (13)	−0.017 (8)
C313	0.23 (2)	0.050 (7)	0.23 (2)	0.004 (9)	−0.052 (16)	0.008 (8)
I302	0.251 (6)	0.0560 (14)	0.466 (10)	−0.004 (2)	−0.264 (6)	0.001 (3)
Zn31	0.142 (7)	0.062 (4)	0.291 (11)	0.032 (4)	−0.127 (6)	−0.045 (4)
I301	0.151 (5)	0.312 (11)	0.309 (8)	0.075 (5)	−0.075 (4)	−0.186 (7)
I405	0.209 (5)	0.0517 (18)	0.279 (8)	−0.041 (2)	0.077 (5)	−0.042 (3)
Zn43	0.166 (3)	0.0420 (8)	0.141 (3)	0.0122 (13)	−0.0033 (17)	0.0009 (12)
I406	0.266 (7)	0.067 (2)	0.244 (6)	0.050 (3)	0.068 (6)	0.048 (3)
N307	0.105 (7)	0.074 (6)	0.138 (9)	−0.024 (5)	−0.027 (6)	−0.002 (5)
C327	0.110 (8)	0.033 (4)	0.176 (13)	0.001 (4)	−0.062 (9)	−0.006 (6)
N301	0.127 (8)	0.054 (5)	0.263 (15)	0.024 (5)	−0.097 (9)	−0.039 (7)
N305	0.217 (15)	0.043 (5)	0.220 (16)	−0.021 (7)	0.020 (13)	−0.024 (7)
C331	0.169 (14)	0.129 (13)	0.210 (19)	−0.049 (11)	−0.070 (13)	−0.060 (13)
C328	0.113 (9)	0.044 (5)	0.186 (15)	−0.008 (5)	−0.045 (9)	−0.007 (7)
C329	0.124 (9)	0.074 (7)	0.195 (15)	−0.026 (7)	−0.050 (10)	0.007 (8)
N311	0.107 (8)	0.084 (7)	0.203 (15)	−0.001 (6)	−0.052 (9)	0.005 (9)
C330	0.19 (2)	0.134 (16)	0.24 (3)	−0.061 (15)	−0.10 (2)	−0.037 (17)
I403	0.144 (4)	0.0458 (14)	0.279 (7)	−0.0034 (14)	−0.063 (4)	0.020 (2)
Zn42	0.154 (7)	0.030 (2)	0.233 (9)	0.005 (3)	−0.086 (6)	−0.011 (3)
I404	0.214 (7)	0.140 (5)	0.237 (6)	0.078 (5)	−0.069 (5)	−0.011 (4)

Geometric parameters (Å, º)

I303—Zn32	2.555 (7)	C302—H302	0.9500
I304—Zn32	2.531 (6)	C302—C301	1.381 (17)
I402—Zn41	2.531 (10)	C301—H301	0.9500
I305—Zn33	2.539 (4)	C301—N301	1.340 (19)
I306—Zn33	2.513 (4)	C323—H323	0.9500
I401—Zn41	2.551 (12)	C323—C322	1.41 (2)
Zn32—N306	2.073 (9)	C323—N307	1.301 (19)
Zn32—N307	2.094 (12)	C322—H322	0.9500
Zn41—N301	2.122 (18)	C311—H311	0.9500
Zn41—N311^i	2.06 (2)	C311—C310	1.41 (2)
Zn33—N312	2.097 (16)	C311—N305	1.24 (2)
Zn33—N305^ii	2.159 (11)	C335—H335	0.9500
N302—C308	1.315 (12)	C335—C336	1.32 (3)
N302—C306	1.384 (13)	C305—H305	0.9500
N304—C307	1.385 (13)	C305—N301	1.297 (18)
N304—C308	1.339 (11)	C318—H318	0.9500
N308—C324	1.300 (18)	C318—C317	1.389 (17)
N308—C326	1.330 (16)	C317—H317	0.9500
N309—C324	1.344 (17)	C310—H310	0.9500
N309—C325	1.319 (16)	C336—H336	0.9500
N303—C307	1.290 (14)	C332—H332	0.9500
N303—C306	1.326 (13)	C332—C333	1.33 (2)
N306—C314	1.340 (13)	C312—H312	0.9500
N306—C318	1.348 (15)	C312—C313	1.358 (19)
N306—Zn42	2.040 (11)	C312—N305	1.31 (3)
N306—Zn52	2.05 (7)	C333—H333	0.9500
N310—C325	1.351 (19)	C313—H313	0.9500
N310—C326	1.330 (17)	I302—Zn31	2.541 (9)
C307—C309	1.472 (11)	Zn31—I301	2.557 (11)
C324—C321	1.497 (17)	Zn31—N301	2.096 (15)
C308—C316	1.514 (14)	Zn31—N311^i	2.120 (19)
C319—H319	0.9500	I405—Zn43	2.509 (10)
C319—C320	1.405 (17)	Zn43—I406	2.530 (10)
C319—N307	1.340 (16)	Zn43—N305^ii	2.126 (13)
C320—H320	0.9500	N307—Zn42	2.067 (13)
C320—C321	1.388 (19)	N307—Zn52	2.09 (7)
C325—C327	1.503 (19)	C327—C331	1.40 (2)
C326—C334	1.45 (2)	C327—C328	1.37 (2)
C315—H315	0.9500	N301—Zn51	2.09 (2)
C315—C314	1.395 (14)	N305—Zn53^iii	2.38 (5)
C315—C316	1.342 (14)	C331—H331	0.9500
N312—C336	1.28 (3)	C331—C330	1.40 (3)
N312—C332	1.35 (2)	I502—Zn51	2.537 (19)
N312—Zn43	2.148 (18)	Zn51—I501	2.552 (18)
N312—Zn53	2.42 (4)	Zn51—N311^i	2.17 (6)
C321—C322	1.354 (19)	I505—Zn53	2.24 (5)
C309—C310	1.356 (17)	I506—Zn53	2.92 (5)
C309—C313	1.35 (2)	C328—H328	0.9500
C314—H314	0.9500	C328—C329	1.37 (2)
C334—C335	1.48 (2)	C329—H329	0.9500
C334—C333	1.32 (2)	C329—N311	1.33 (2)
C303—C306	1.439 (16)	N311—C330	1.32 (3)
C303—C304	1.391 (16)	C330—H330	0.9500
C303—C302	1.367 (16)	I403—Zn42	2.510 (10)
C316—C317	1.290 (15)	Zn42—I404	2.529 (11)
C304—H304	0.9500	I503—Zn52	2.69 (6)
C304—C305	1.375 (16)	I504—Zn52	2.50 (7)
I304—Zn32—I303	129.8 (3)	N301—C305—H305	118.4
N306—Zn32—I303	108.4 (4)	N306—C318—H318	118.2
N306—Zn32—I304	103.1 (4)	N306—C318—C317	123.6 (10)
N306—Zn32—N307	96.4 (4)	C317—C318—H318	118.2
N307—Zn32—I303	106.4 (4)	C316—C317—C318	117.9 (11)
N307—Zn32—I304	107.7 (5)	C316—C317—H317	121.1
I402—Zn41—I401	127.1 (7)	C318—C317—H317	121.1
N301—Zn41—I402	113.1 (7)	C309—C310—C311	118.2 (16)
N301—Zn41—I401	99.1 (7)	C309—C310—H310	120.9
N311^i—Zn41—I402	114.0 (8)	C311—C310—H310	120.9
N311^i—Zn41—I401	99.4 (8)	N312—C336—C335	123.8 (18)
N311^i—Zn41—N301	100.1 (7)	N312—C336—H336	118.1
I306—Zn33—I305	123.14 (15)	C335—C336—H336	118.1
N312—Zn33—I305	101.2 (5)	N312—C332—H332	122.2
N312—Zn33—I306	113.5 (5)	C333—C332—N312	115.6 (18)
N312—Zn33—N305^ii	98.6 (6)	C333—C332—H332	122.2
N305^ii—Zn33—I305	106.7 (6)	C313—C312—H312	120.6
N305^ii—Zn33—I306	110.5 (6)	N305—C312—H312	120.6
C308—N302—C306	114.8 (8)	N305—C312—C313	118.7 (17)
C308—N304—C307	115.1 (8)	C334—C333—C332	129.2 (18)
C324—N308—C326	115.0 (12)	C334—C333—H333	115.4
C325—N309—C324	112.1 (14)	C332—C333—H333	115.4
C307—N303—C306	118.1 (9)	C309—C313—C312	122.5 (17)
C314—N306—Zn32	122.4 (6)	C309—C313—H313	118.7
C314—N306—C318	115.5 (9)	C312—C313—H313	118.7
C314—N306—Zn42	125.7 (6)	I302—Zn31—I301	127.8 (5)
C314—N306—Zn52	117 (2)	N301—Zn31—I302	101.9 (6)
C318—N306—Zn32	121.6 (7)	N301—Zn31—I301	110.1 (7)
C318—N306—Zn42	117.6 (7)	N301—Zn31—N311^i	98.9 (7)
C318—N306—Zn52	127 (2)	N311^i—Zn31—I302	101.3 (6)
C326—N310—C325	114.0 (11)	N311^i—Zn31—I301	112.7 (7)
N304—C307—C309	114.0 (9)	N312—Zn43—I405	117.4 (6)
N303—C307—N304	123.4 (8)	N312—Zn43—I406	96.9 (5)
N303—C307—C309	122.5 (9)	I405—Zn43—I406	121.1 (4)
N308—C324—N309	127.5 (12)	N305^ii—Zn43—N312	98.1 (7)
N308—C324—C321	115.6 (12)	N305^ii—Zn43—I405	120.4 (6)
N309—C324—C321	116.9 (15)	N305^ii—Zn43—I406	98.0 (6)
N302—C308—N304	125.3 (9)	C319—N307—Zn32	123.8 (12)
N302—C308—C316	118.9 (8)	C319—N307—Zn42	118.8 (12)
N304—C308—C316	115.8 (8)	C319—N307—Zn52	137 (2)
C320—C319—H319	118.6	C323—N307—Zn32	117.0 (8)
N307—C319—H319	118.6	C323—N307—C319	118.6 (12)
N307—C319—C320	122.9 (14)	C323—N307—Zn42	121.8 (9)
C319—C320—H320	121.8	C323—N307—Zn52	103.9 (19)
C321—C320—C319	116.4 (11)	C331—C327—C325	119 (2)
C321—C320—H320	121.8	C328—C327—C325	121.7 (12)
N309—C325—N310	126.6 (12)	C328—C327—C331	119.1 (16)
N309—C325—C327	116.5 (16)	C301—N301—Zn41	125.1 (9)
N310—C325—C327	116.8 (11)	C301—N301—Zn31	112.5 (10)
N308—C326—N310	124.6 (16)	C301—N301—Zn51	93.9 (14)
N308—C326—C334	115.9 (12)	C305—N301—Zn41	115.2 (9)
N310—C326—C334	119.5 (12)	C305—N301—C301	119.7 (10)
C314—C315—H315	121.1	C305—N301—Zn31	125.9 (8)
C316—C315—H315	121.1	C305—N301—Zn51	141.4 (15)
C316—C315—C314	117.7 (9)	Zn33^iii—N305—Zn53^iii	40.5 (11)
C336—N312—Zn33	114.1 (14)	C311—N305—Zn33^iii	127.7 (14)
C336—N312—C332	121.0 (18)	C311—N305—C312	121.8 (13)
C336—N312—Zn43	130.8 (13)	C311—N305—Zn43^iii	104.6 (14)
C336—N312—Zn53	140.4 (15)	C311—N305—Zn53^iii	87.3 (17)
C332—N312—Zn33	123.8 (14)	C312—N305—Zn33^iii	110.4 (12)
C332—N312—Zn43	107.8 (15)	C312—N305—Zn43^iii	133.6 (13)
C332—N312—Zn53	94.9 (18)	C312—N305—Zn53^iii	150.9 (17)
C320—C321—C324	119.1 (11)	C327—C331—H331	121.3
C322—C321—C324	119.2 (15)	C327—C331—C330	117 (3)
C322—C321—C320	121.3 (11)	C330—C331—H331	121.3
C310—C309—C307	121.2 (11)	N301—Zn51—I502	92.6 (15)
C313—C309—C307	122.3 (11)	N301—Zn51—I501	129 (2)
C313—C309—C310	116.4 (11)	N301—Zn51—N311^i	97.6 (17)
N306—C314—C315	122.4 (9)	I502—Zn51—I501	111.8 (19)
N306—C314—H314	118.8	N311^i—Zn51—I502	99.6 (18)
C315—C314—H314	118.8	N311^i—Zn51—I501	119.9 (18)
C326—C334—C335	120.9 (15)	N312—Zn53—I506	91.8 (15)
C333—C334—C326	127.3 (15)	N305^ii—Zn53—N312	84.5 (15)
C333—C334—C335	110.5 (18)	N305^ii—Zn53—I506	85.1 (15)
C304—C303—C306	120.1 (9)	I505—Zn53—N312	127 (2)
C302—C303—C306	122.6 (11)	I505—Zn53—I506	122.8 (18)
C302—C303—C304	117.2 (11)	C327—C328—H328	120.2
N302—C306—C303	116.5 (8)	C329—C328—C327	119.6 (16)
N303—C306—N302	123.2 (10)	C329—C328—H328	120.2
N303—C306—C303	120.2 (9)	C328—C329—H329	119.1
C315—C316—C308	118.1 (8)	N311—C329—C328	122 (2)
C317—C316—C308	119.1 (11)	N311—C329—H329	119.1
C317—C316—C315	122.8 (10)	Zn41^iv—N311—Zn31^iv	16.9 (4)
C303—C304—H304	120.7	Zn41^iv—N311—Zn51^iv	35.1 (10)
C305—C304—C303	118.7 (11)	C329—N311—Zn41^iv	131.5 (16)
C305—C304—H304	120.7	C329—N311—Zn31^iv	115.6 (16)
C303—C302—H302	119.5	C329—N311—Zn51^iv	100.3 (16)
C303—C302—C301	121.0 (13)	C330—N311—Zn41^iv	108.5 (13)
C301—C302—H302	119.5	C330—N311—Zn31^iv	124.1 (13)
C302—C301—H301	120.0	C330—N311—Zn51^iv	136.6 (15)
N301—C301—C302	119.9 (12)	C330—N311—C329	120.0 (16)
N301—C301—H301	120.0	C331—C330—H330	119.2
C322—C323—H323	118.4	N311—C330—C331	121.6 (19)
N307—C323—H323	118.4	N311—C330—H330	119.2
N307—C323—C322	123.2 (13)	N306—Zn42—N307	98.3 (5)
C321—C322—C323	117.2 (16)	N306—Zn42—I403	105.6 (5)
C321—C322—H322	121.4	N306—Zn42—I404	109.2 (6)
C323—C322—H322	121.4	N307—Zn42—I403	105.2 (6)
C310—C311—H311	118.9	N307—Zn42—I404	110.3 (6)
N305—C311—H311	118.9	I403—Zn42—I404	124.9 (4)
N305—C311—C310	122.1 (17)	N306—Zn52—N307	97 (3)
C334—C335—H335	120.5	N306—Zn52—I503	113 (3)
C336—C335—C334	119.1 (17)	N306—Zn52—I504	95 (3)
C336—C335—H335	120.5	N307—Zn52—I503	114 (3)
C304—C305—H305	118.4	N307—Zn52—I504	93 (2)
N301—C305—C304	123.1 (12)	I504—Zn52—I503	136 (3)
Zn32—N306—C314—C315	−170.9 (12)	C334—C335—C336—N312	−9 (3)
Zn32—N306—C318—C317	174.6 (17)	C303—C304—C305—N301	0 (3)
Zn41^iv—N311—C330—C331	−176.0 (19)	C303—C302—C301—N301	3 (3)
Zn33—N312—C336—C335	172.5 (16)	C306—N302—C308—N304	2 (2)
Zn33—N312—C332—C333	−168.7 (14)	C306—N302—C308—C316	−179.6 (12)
N302—C308—C316—C315	−1 (2)	C306—N303—C307—N304	1 (2)
N302—C308—C316—C317	176.2 (17)	C306—N303—C307—C309	−173.8 (13)
N304—C307—C309—C310	−174.6 (17)	C306—C303—C304—C305	−179.8 (18)
N304—C307—C309—C313	3 (2)	C306—C303—C302—C301	178.2 (17)
N304—C308—C316—C315	177.5 (13)	C316—C315—C314—N306	−3 (2)
N304—C308—C316—C317	−5 (2)	C304—C303—C306—N302	−2 (2)
N308—C324—C321—C320	−179.1 (10)	C304—C303—C306—N303	179.6 (15)
N308—C324—C321—C322	8.8 (16)	C304—C303—C302—C301	1 (3)
N308—C326—C334—C335	176.0 (13)	C304—C305—N301—Zn41	−176.8 (18)
N308—C326—C334—C333	−18.3 (19)	C304—C305—N301—C301	5 (3)
N309—C324—C321—C320	−1.0 (14)	C304—C305—N301—Zn31	168.2 (17)
N309—C324—C321—C322	−173.1 (12)	C304—C305—N301—Zn51	152 (3)
N309—C325—C327—C331	−154.3 (13)	C302—C303—C306—N302	−178.3 (15)
N309—C325—C327—C328	17.7 (15)	C302—C303—C306—N303	3 (2)
N303—C307—C309—C310	1 (3)	C302—C303—C304—C305	−3 (3)
N303—C307—C309—C313	178.6 (19)	C302—C301—N301—Zn41	175.5 (16)
N306—C318—C317—C316	−4 (4)	C302—C301—N301—C305	−6 (3)
N310—C325—C327—C331	24.5 (16)	C302—C301—N301—Zn31	−171.8 (16)
N310—C325—C327—C328	−163.5 (11)	C302—C301—N301—Zn51	−167 (2)
N310—C326—C334—C335	−2.4 (18)	C322—C323—N307—Zn32	−167.0 (14)
N310—C326—C334—C333	163.3 (14)	C322—C323—N307—C319	5 (2)
C307—N304—C308—N302	1 (2)	C322—C323—N307—Zn42	−164.7 (14)
C307—N304—C308—C316	−177.6 (12)	C322—C323—N307—Zn52	−166 (3)
C307—N303—C306—N302	2 (2)	C335—C334—C333—C332	−9 (3)
C307—N303—C306—C303	−179.5 (14)	C318—N306—C314—C315	1 (2)
C307—C309—C310—C311	−178.8 (17)	C310—C309—C313—C312	−2 (4)
C307—C309—C313—C312	−179 (2)	C310—C311—N305—Zn33^iii	−177.6 (16)
C324—N308—C326—N310	0.3 (16)	C310—C311—N305—C312	6 (4)
C324—N308—C326—C334	−178.1 (10)	C310—C311—N305—Zn43^iii	−175.5 (19)
C324—N309—C325—N310	−0.5 (15)	C310—C311—N305—Zn53^iii	−175 (2)
C324—N309—C325—C327	178.2 (9)	C336—N312—C332—C333	−1 (3)
C324—C321—C322—C323	178.9 (13)	C332—N312—C336—C335	4 (3)
C308—N302—C306—N303	−3 (2)	C333—C334—C335—C336	10 (2)
C308—N302—C306—C303	177.9 (12)	C313—C309—C310—C311	3 (3)
C308—N304—C307—N303	−3 (2)	C313—C312—N305—Zn33^iii	179 (2)
C308—N304—C307—C309	172.8 (12)	C313—C312—N305—C311	−4 (4)
C308—C316—C317—C318	−176.1 (18)	C313—C312—N305—Zn43^iii	178.1 (19)
C319—C320—C321—C324	−177.1 (9)	C313—C312—N305—Zn53^iii	177 (3)
C319—C320—C321—C322	−5.1 (17)	Zn31^iv—N311—C330—C331	−169.0 (16)
C320—C319—N307—Zn32	168.5 (8)	Zn43—N312—C336—C335	−167.8 (15)
C320—C319—N307—C323	−2.5 (18)	Zn43—N312—C332—C333	172.1 (15)
C320—C319—N307—Zn42	167.1 (8)	N307—C319—C320—C321	2.7 (15)
C320—C319—N307—Zn52	165 (3)	N307—C323—C322—C321	−7 (3)
C320—C321—C322—C323	7 (2)	C327—C331—C330—N311	−8 (3)
C325—N309—C324—N308	2.6 (15)	C327—C328—C329—N311	1 (2)
C325—N309—C324—C321	−175.2 (8)	N305—C311—C310—C309	−6 (4)
C325—N310—C326—N308	1.5 (15)	N305—C312—C313—C309	2 (4)
C325—N310—C326—C334	179.8 (10)	C331—C327—C328—C329	−4.3 (19)
C325—C327—C331—C330	179.5 (17)	Zn51^iv—N311—C330—C331	−150 (2)
C325—C327—C328—C329	−176.2 (10)	Zn53—N312—C336—C335	−148 (2)
C326—N308—C324—N309	−2.5 (16)	Zn53—N312—C332—C333	161.0 (19)
C326—N308—C324—C321	175.3 (9)	C328—C327—C331—C330	7 (3)
C326—N310—C325—N309	−1.4 (16)	C328—C329—N311—Zn41^iv	179.7 (11)
C326—N310—C325—C327	−180.0 (9)	C328—C329—N311—Zn31^iv	172.9 (11)
C326—C334—C335—C336	178.0 (16)	C328—C329—N311—Zn51^iv	161.5 (15)
C326—C334—C333—C332	−175.7 (17)	C328—C329—N311—C330	−2 (3)
C315—C316—C317—C318	1 (3)	C329—N311—C330—C331	5 (3)
N312—C332—C333—C334	5 (3)	Zn42—N306—C314—C315	−166.0 (12)
C314—N306—C318—C317	3 (3)	Zn42—N306—C318—C317	170.8 (18)
C314—C315—C316—C308	179.5 (13)	Zn52—N306—C314—C315	175 (2)
C314—C315—C316—C317	2 (3)	Zn52—N306—C318—C317	−171 (3)

Symmetry codes: (i) x−1/2, −y+3/2, z−1/2; (ii) x, −y+2, z+1/2; (iii) x, −y+2, z−1/2; (iv) x+1/2, −y+3/2, z+1/2.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (50_5_96a)

Crystal data

C72H48I12N24Zn6·0.828(C15H16O3)·0.66(C6H12)	F(000) = 6413
Mr = 3422.02	Dx = 1.430 Mg m^−3
Monoclinic, P2/n	Cu Kα radiation, λ = 1.54184 Å
a = 31.5448 (8) Å	Cell parameters from 19094 reflections
b = 14.9824 (2) Å	θ = 2.6–74.2°
c = 34.3898 (8) Å	µ = 19.61 mm^−1
β = 102.066 (2)°	T = 100 K
V = 15894.1 (6) Å^3	Block, light yellow
Z = 4	0.31 × 0.22 × 0.09 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	28888 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	20854 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.046
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 1.7°
profile data from ω–scans	h = −37→38
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −14→17
Tmin = 0.051, Tmax = 0.289	l = −41→38
100011 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.083	H-atom parameters constrained
wR(F^2) = 0.273	w = 1/[σ^2(Fo^2) + (0.1462P)^2 + 62.5282P] where P = (Fo^2 + 2Fc^2)/3
S = 1.06	(Δ/σ)max = 0.002
28888 reflections	Δρmax = 1.35 e Å^−3
1647 parameters	Δρmin = −1.03 e Å^−3
793 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). Exchange site B was located over a two-fold symmetry axis and was modelled in PART -1. Multiple solvent molecules were located over two-fold symmetry sites or were determined to have a low occupancy, these were modelled isotropic to prevent over-expansion of thermal ellipsoids. During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I304	0.5901 (2)	0.9942 (4)	0.3523 (2)	0.0849 (10)	0.52
I312	0.87933 (15)	0.3895 (3)	1.23375 (12)	0.0908 (9)	0.5611
I307	0.70416 (6)	0.01896 (14)	0.51020 (7)	0.0760 (4)	0.611 (3)
I409	0.6106 (5)	0.4898 (6)	0.8596 (4)	0.162 (5)	0.4293
I311	0.93469 (16)	0.4729 (3)	1.13254 (19)	0.1206 (18)	0.5611
I406	0.85974 (19)	0.8929 (6)	0.7292 (2)	0.0969 (16)	0.4856
I402	0.7821 (3)	0.5494 (4)	0.0957 (3)	0.250 (5)	0.3825
I401	0.6737 (4)	0.5407 (5)	−0.0046 (2)	0.278 (6)	0.3825
I308	0.80096 (6)	0.09486 (13)	0.61759 (7)	0.0901 (6)	0.611 (3)
I303	0.48682 (13)	0.8369 (5)	0.39523 (19)	0.0992 (10)	0.52
I410	0.5011 (4)	0.3544 (7)	0.8998 (3)	0.154 (5)	0.4293
I405	0.9322 (2)	0.9975 (3)	0.63770 (14)	0.0993 (11)	0.4856
Zn36	0.9103 (2)	0.3517 (6)	1.1742 (2)	0.0599 (15)	0.5611
Zn32	0.5560 (3)	0.8505 (6)	0.3690 (2)	0.0665 (19)	0.52
Zn45	0.5728 (4)	0.3506 (8)	0.8781 (3)	0.0795 (10)	0.4293
Zn43	0.8947 (3)	0.8754 (7)	0.6705 (2)	0.076 (2)	0.4856
Zn31	0.7072 (4)	0.6020 (6)	0.0634 (3)	0.186 (9)	0.3825
Zn34	0.72739 (11)	0.1130 (3)	0.57216 (13)	0.0662 (8)	0.611 (3)
N320	0.7295 (2)	0.1905 (4)	1.0375 (2)	0.0545 (17)
N321	0.6892 (2)	0.0576 (4)	1.0203 (2)	0.0603 (19)
N304	0.5182 (3)	0.5167 (4)	0.2222 (2)	0.0607 (18)
N316	0.5359 (3)	0.0240 (5)	0.7284 (2)	0.0608 (18)
N309	0.7246 (3)	0.7015 (5)	0.5220 (2)	0.065 (2)
N322	0.7486 (2)	0.0601 (4)	1.0759 (2)	0.0548 (17)
N317	0.4565 (3)	−0.2579 (5)	0.6857 (3)	0.069 (2)
N315	0.5667 (3)	−0.0239 (5)	0.6747 (2)	0.065 (2)
N308	0.6890 (3)	0.5636 (5)	0.5059 (2)	0.069 (2)
N324	0.8602 (3)	0.2843 (4)	1.1373 (3)	0.075 (3)
N310	0.7465 (3)	0.5752 (5)	0.5627 (2)	0.070 (2)
N306	0.5461 (3)	0.7674 (6)	0.3206 (2)	0.070 (2)
N302	0.5737 (3)	0.5997 (5)	0.2027 (2)	0.066 (2)
N323	0.7088 (3)	−0.2645 (5)	1.0592 (3)	0.076 (2)
N303	0.5486 (3)	0.4661 (5)	0.1687 (3)	0.073 (2)
C343	0.5404 (3)	−0.0329 (6)	0.6993 (3)	0.057 (2)
N318	0.5662 (3)	0.2674 (6)	0.8292 (2)	0.077 (2)
N305	0.4424 (3)	0.2268 (6)	0.1814 (3)	0.082 (3)
C316	0.5449 (3)	0.6507 (6)	0.2580 (3)	0.061 (2)
N301	0.6598 (4)	0.5784 (6)	0.0964 (3)	0.082 (3)
N311	0.8511 (3)	0.8059 (5)	0.6268 (3)	0.087 (3)
N312	0.7199 (3)	0.2474 (5)	0.5571 (3)	0.078 (2)
N319	0.6143 (3)	0.2807 (5)	0.9213 (2)	0.078 (3)
C360	0.6966 (3)	0.1425 (5)	1.0153 (3)	0.056 (2)
N314	0.5927 (4)	0.1073 (5)	0.7099 (3)	0.078 (3)
C345	0.5119 (3)	−0.1136 (6)	0.6960 (3)	0.063 (2)
C307	0.5225 (3)	0.4584 (6)	0.1934 (3)	0.064 (2)
N307	0.6032 (3)	0.7810 (6)	0.4093 (3)	0.082 (3)
C324	0.6939 (3)	0.6503 (6)	0.5005 (3)	0.064 (2)
C362	0.7538 (3)	0.1446 (5)	1.0671 (2)	0.054 (2)
C363	0.7131 (3)	−0.0807 (5)	1.0543 (3)	0.057 (2)
C344	0.5647 (3)	0.0929 (6)	0.7323 (3)	0.063 (2)
C361	0.7169 (3)	0.0182 (5)	1.0503 (3)	0.056 (2)
C309	0.4948 (3)	0.3765 (6)	0.1900 (3)	0.068 (3)
C357	0.6680 (3)	0.1921 (6)	0.9832 (3)	0.064 (2)
C370	0.7905 (3)	0.1945 (5)	1.0924 (3)	0.058 (2)
C349	0.4898 (3)	−0.1363 (6)	0.7244 (3)	0.065 (2)
H349	0.494023	−0.102880	0.748335	0.078*
C308	0.5461 (3)	0.5856 (5)	0.2255 (3)	0.057 (2)
C352	0.5645 (4)	0.1549 (6)	0.7651 (3)	0.067 (2)
N313	0.6794 (4)	0.0943 (7)	0.6043 (3)	0.090 (3)
C321	0.6636 (4)	0.6964 (6)	0.4680 (3)	0.075 (3)
O3A	0.2544 (4)	0.0292 (8)	0.6847 (3)	0.083 (3)	0.6418
C325	0.7497 (3)	0.6608 (6)	0.5526 (3)	0.067 (2)
C327	0.7848 (3)	0.7136 (6)	0.5782 (3)	0.070 (3)
C334	0.7165 (3)	0.4312 (6)	0.5440 (3)	0.067 (2)
C315	0.5695 (4)	0.7263 (7)	0.2607 (3)	0.078 (3)
H315	0.586280	0.740403	0.241639	0.094*
C369	0.7990 (3)	0.2806 (6)	1.0838 (3)	0.075 (3)
H369	0.780627	0.310085	1.062272	0.090*
C367	0.7363 (4)	−0.1262 (6)	1.0875 (3)	0.071 (3)
H367	0.754124	−0.094947	1.108833	0.085*
C303	0.6041 (4)	0.5512 (6)	0.1466 (3)	0.072 (3)
O2A	0.3907 (4)	0.0742 (8)	0.7666 (4)	0.081 (3)	0.6418
C371	0.8176 (3)	0.1535 (6)	1.1238 (3)	0.075 (3)
H371	0.812839	0.093103	1.130098	0.089*
C326	0.7163 (3)	0.5288 (6)	0.5369 (3)	0.064 (2)
C348	0.4618 (3)	−0.2062 (6)	0.7190 (3)	0.065 (2)
H348	0.445652	−0.219311	0.738690	0.078*
C317	0.5183 (4)	0.6382 (7)	0.2837 (3)	0.082 (3)
H317	0.498791	0.589252	0.280438	0.098*
C359	0.6490 (4)	0.3194 (6)	0.9425 (3)	0.074 (3)
H359	0.655547	0.378801	0.936091	0.089*
C306	0.5734 (3)	0.5375 (6)	0.1740 (3)	0.066 (2)
C313	0.4692 (4)	0.3584 (7)	0.2173 (3)	0.075 (3)
H313	0.469917	0.396076	0.239606	0.090*
C320	0.6671 (4)	0.7830 (7)	0.4602 (3)	0.082 (3)
H320	0.690650	0.815970	0.475239	0.098*
C372	0.8514 (4)	0.2004 (7)	1.1459 (4)	0.085 (3)
H372	0.869322	0.172156	1.168087	0.102*
C339	0.6229 (4)	0.0624 (8)	0.6536 (3)	0.082 (3)
C342	0.5926 (4)	0.0474 (7)	0.6812 (3)	0.077 (3)
C312	0.4421 (4)	0.2822 (7)	0.2111 (3)	0.079 (3)
H312	0.423209	0.270729	0.228726	0.095*
C328	0.7920 (4)	0.8023 (6)	0.5718 (3)	0.079 (3)
H328	0.773668	0.833272	0.550656	0.095*
C358	0.6763 (3)	0.2775 (6)	0.9736 (3)	0.069 (3)
H358	0.700790	0.308104	0.988416	0.083*
C365	0.6863 (4)	−0.2207 (7)	1.0282 (3)	0.087 (3)
H365	0.668809	−0.253900	1.007289	0.104*
C366	0.7323 (4)	−0.2191 (6)	1.0883 (3)	0.076 (3)
H366	0.747437	−0.250497	1.110991	0.092*
C364	0.6870 (4)	−0.1299 (6)	1.0249 (3)	0.077 (3)
H364	0.669707	−0.100974	1.002571	0.093*
C314	0.5685 (4)	0.7829 (8)	0.2937 (4)	0.088 (4)
H314	0.585389	0.835812	0.296172	0.105*
C353	0.5318 (4)	0.1608 (8)	0.7833 (4)	0.087 (3)
H353	0.506630	0.126002	0.773799	0.105*
C318	0.5199 (5)	0.6979 (7)	0.3152 (3)	0.083 (3)
H318	0.501374	0.688100	0.333306	0.100*
C368	0.8339 (3)	0.3255 (6)	1.1060 (4)	0.082 (3)
H368	0.839599	0.385261	1.099517	0.098*
C322	0.6293 (4)	0.6488 (7)	0.4449 (4)	0.091 (4)
H322	0.626234	0.586461	0.448612	0.109*
C332	0.6950 (4)	0.2813 (7)	0.5256 (4)	0.087 (3)
H332	0.677733	0.241615	0.507330	0.104*
C346	0.5078 (4)	−0.1677 (7)	0.6633 (4)	0.085 (3)
H346	0.524221	−0.156197	0.643622	0.102*
C356	0.6314 (4)	0.1489 (7)	0.9602 (4)	0.092 (4)
H356	0.624584	0.088761	0.965268	0.111*
C319	0.6375 (4)	0.8263 (7)	0.4306 (3)	0.086 (3)
H319	0.641271	0.887727	0.425364	0.103*
C304	0.6385 (5)	0.6076 (9)	0.1578 (4)	0.098 (4)
H304	0.643422	0.638489	0.182422	0.117*
C335	0.7423 (5)	0.3943 (6)	0.5776 (4)	0.091 (4)
H335	0.759388	0.431525	0.597163	0.109*
C323	0.5999 (4)	0.6951 (6)	0.4166 (4)	0.088 (4)
H323	0.575929	0.663252	0.401500	0.106*
C333	0.6919 (4)	0.3723 (7)	0.5172 (4)	0.080 (3)
H333	0.673452	0.393603	0.493571	0.096*
C354	0.5330 (4)	0.2170 (8)	0.8165 (4)	0.089 (3)
H354	0.509205	0.217654	0.829537	0.106*
C355	0.6060 (4)	0.1979 (7)	0.9302 (4)	0.099 (5)
H355	0.580818	0.170164	0.914952	0.119*
C305	0.6663 (5)	0.6176 (9)	0.1309 (5)	0.106 (5)
H305	0.691073	0.654825	0.138310	0.127*
O1A	0.2909 (4)	0.2405 (8)	0.8069 (4)	0.089 (4)	0.6418
H1A	0.283897	0.216004	0.826645	0.134*	0.6418
C4A	0.3198 (3)	0.1451 (4)	0.7168 (3)	0.058 (3)	0.6418
C5A	0.3139 (3)	0.2084 (6)	0.7448 (2)	0.073 (4)	0.6418
C6A	0.3124 (3)	0.2986 (5)	0.7351 (3)	0.084 (5)	0.6418
H6A	0.308434	0.341795	0.754237	0.101*	0.6418
C1A	0.3168 (3)	0.3255 (4)	0.6975 (4)	0.080 (5)	0.6418
H1AA	0.315798	0.387131	0.690871	0.096*	0.6418
C2A	0.3227 (3)	0.2622 (6)	0.6695 (3)	0.077 (5)	0.6418
H2A	0.325679	0.280641	0.643787	0.092*	0.6418
C3A	0.3242 (3)	0.1720 (5)	0.6792 (2)	0.064 (4)	0.6418
H3A	0.328195	0.128815	0.660068	0.076*	0.6418
C336	0.7428 (5)	0.3026 (8)	0.5827 (4)	0.102 (4)
H336	0.760809	0.278434	0.605925	0.122*
C338	0.6176 (5)	0.0209 (9)	0.6185 (4)	0.102 (4)
H338	0.595250	−0.022090	0.610977	0.122*
C330	0.8437 (5)	0.7233 (8)	0.6322 (4)	0.120 (6)
H330	0.862752	0.694628	0.653587	0.144*
C331	0.8110 (5)	0.6708 (7)	0.6102 (4)	0.113 (6)
H331	0.806787	0.610184	0.616615	0.135*
C329	0.8254 (4)	0.8460 (7)	0.5961 (4)	0.083 (3)
H329	0.830594	0.906866	0.590805	0.099*
C301	0.6256 (5)	0.5248 (10)	0.0860 (4)	0.095 (4)
H301	0.620650	0.495501	0.060996	0.114*
C337	0.6454 (6)	0.0414 (11)	0.5927 (5)	0.112 (5)
H337	0.639853	0.016968	0.566640	0.134*
C7A	0.3231 (4)	0.0479 (7)	0.7266 (4)	0.065 (3)	0.6418
C347	0.4795 (5)	−0.2396 (9)	0.6594 (4)	0.099 (4)
H347	0.476779	−0.276813	0.636626	0.119*
C302	0.5976 (5)	0.5112 (9)	0.1109 (4)	0.091 (3)
H302	0.573283	0.473122	0.102792	0.109*
C340	0.6565 (6)	0.1237 (10)	0.6639 (4)	0.115 (5)
H340	0.660096	0.156534	0.688027	0.138*
C310	0.4961 (6)	0.3179 (9)	0.1604 (5)	0.115 (5)
H310	0.515601	0.325637	0.143006	0.138*
C311	0.4666 (6)	0.2423 (10)	0.1564 (6)	0.121 (6)
H311	0.465046	0.203085	0.134414	0.145*
C341	0.6847 (6)	0.1361 (11)	0.6382 (5)	0.123 (6)
H341	0.708409	0.176037	0.645547	0.147*
C8A	0.3601 (5)	0.0123 (9)	0.7509 (5)	0.072 (4)	0.6418
C12A	0.2903 (6)	−0.0108 (8)	0.7091 (5)	0.072 (4)	0.6418
C9A	0.3632 (7)	−0.0786 (9)	0.7589 (6)	0.092 (5)	0.6418
H9A	0.388059	−0.101781	0.776495	0.111*	0.6418
C10A	0.3304 (6)	−0.1352 (10)	0.7414 (5)	0.096 (6)	0.6418
H10A	0.332914	−0.197533	0.746523	0.115*	0.6418
C11A	0.2939 (7)	−0.1020 (9)	0.7167 (5)	0.093 (6)	0.6418
H11A	0.271138	−0.141137	0.704769	0.111*	0.6418
C15A	0.2173 (8)	−0.0253 (16)	0.6696 (6)	0.115 (8)	0.6418
H15A	0.223990	−0.066632	0.649683	0.172*	0.6418
H15B	0.192841	0.012782	0.657415	0.172*	0.6418
H15C	0.209590	−0.059287	0.691513	0.172*	0.6418
C13A	0.3091 (7)	0.1763 (11)	0.7852 (5)	0.096 (6)	0.6418
H13A	0.290538	0.122373	0.781801	0.116*	0.6418
H13B	0.337966	0.158946	0.800763	0.116*	0.6418
C350	0.6020 (6)	0.2545 (12)	0.8149 (5)	0.139 (6)
H350	0.628956	0.278013	0.828769	0.167*
C351	0.6000 (6)	0.2070 (13)	0.7801 (5)	0.141 (6)
H351	0.623280	0.210297	0.766534	0.169*
C14A	0.4297 (6)	0.0399 (17)	0.7915 (9)	0.141 (10)	0.6418
H14A	0.444670	0.001167	0.775807	0.211*	0.6418
H14B	0.422207	0.005446	0.813405	0.211*	0.6418
H14C	0.448652	0.089619	0.802412	0.211*	0.6418
I404	0.5813 (3)	0.9928 (5)	0.3573 (3)	0.128 (3)	0.48
Zn42	0.5517 (3)	0.8419 (6)	0.3716 (3)	0.095 (4)	0.48
I403	0.4849 (2)	0.8203 (6)	0.4006 (2)	0.154 (3)	0.48
I309	0.6035 (3)	0.4943 (5)	0.8654 (2)	0.0886 (15)	0.4342
Zn35	0.5699 (3)	0.3463 (7)	0.8791 (3)	0.0795 (10)	0.4342
I310	0.49861 (16)	0.3270 (6)	0.9005 (2)	0.0910 (19)	0.4342
I411	0.9404 (2)	0.4684 (5)	1.1255 (3)	0.113 (2)	0.3876
Zn46	0.9086 (5)	0.3657 (10)	1.1711 (4)	0.102 (6)	0.3876
I412	0.8845 (2)	0.3952 (6)	1.2358 (2)	0.149 (3)	0.3876
I305	0.9350 (3)	0.9829 (4)	0.6251 (2)	0.159 (3)	0.46
Zn33	0.8998 (4)	0.8746 (6)	0.6650 (3)	0.089 (3)	0.46
I306	0.8671 (2)	0.9067 (7)	0.7238 (3)	0.123 (3)	0.46
I407	0.6823 (3)	0.0320 (3)	0.49550 (19)	0.199 (4)	0.389 (3)
Zn44	0.7139 (4)	0.1087 (5)	0.5605 (3)	0.161 (5)	0.389 (3)
I408	0.7885 (3)	0.0697 (4)	0.6008 (3)	0.233 (4)	0.389 (3)
I301	0.67081 (9)	0.53532 (18)	−0.00725 (8)	0.0958 (7)	0.5851
Zn41	0.70404 (11)	0.5945 (3)	0.06091 (11)	0.0652 (12)	0.5851
I302	0.77576 (7)	0.53720 (13)	0.09981 (8)	0.0878 (6)	0.5851
I509	0.5869 (10)	0.4890 (15)	0.8687 (11)	0.159 (14)	0.1365
I510	0.4878 (12)	0.305 (2)	0.9036 (10)	0.158 (12)	0.1365
Zn55	0.5587 (8)	0.347 (2)	0.8764 (9)	0.0795 (10)	0.1365
I511	0.9165 (6)	0.4862 (14)	1.1510 (6)	0.080*	0.0513
I512	0.8606 (7)	0.3982 (13)	1.2374 (6)	0.080*	0.0513
Zn56	0.8983 (19)	0.355 (4)	1.1884 (14)	0.080*	0.0513
I505	0.9494 (7)	0.9786 (16)	0.6120 (6)	0.080*	0.0544
I506	0.8778 (7)	0.9288 (15)	0.7082 (6)	0.080*	0.0544
Zn53	0.9148 (15)	0.874 (2)	0.6550 (12)	0.080*	0.0544
I502	0.8022 (8)	0.589 (2)	0.1261 (8)	0.080*	0.0324
I501	0.7062 (8)	0.520 (2)	0.0212 (9)	0.080*	0.0324
Zn51	0.734 (2)	0.596 (5)	0.073 (2)	0.080*	0.0324
C4B	0.7645 (11)	0.2406 (18)	0.7437 (9)	0.098 (11)	0.1861
C5B	0.7387 (11)	0.248 (2)	0.7717 (8)	0.095 (11)	0.1861
C6B	0.7203 (11)	0.172 (2)	0.7846 (10)	0.096 (11)	0.1861
H6B	0.702648	0.177301	0.803794	0.115*	0.1861
C1B	0.7276 (15)	0.089 (2)	0.7695 (14)	0.097 (13)	0.1861
H1B	0.715060	0.037157	0.778278	0.116*	0.1861
C2B	0.7534 (16)	0.0816 (18)	0.7414 (14)	0.095 (13)	0.1861
H2B	0.758483	0.024661	0.731079	0.114*	0.1861
C3B	0.7719 (12)	0.157 (2)	0.7286 (10)	0.094 (12)	0.1861
H3B	0.789493	0.152308	0.709393	0.113*	0.1861
O3B	0.7130 (12)	0.331 (2)	0.6780 (9)	0.100 (11)	0.1861
C7B	0.7790 (10)	0.3238 (18)	0.7260 (9)	0.118 (11)	0.1861
C8B	0.8173 (10)	0.364 (2)	0.7454 (10)	0.125 (13)	0.1861
C9B	0.8272 (12)	0.450 (2)	0.7351 (13)	0.121 (14)	0.1861
H9B	0.853380	0.477748	0.748391	0.146*	0.1861
C10B	0.7988 (15)	0.496 (2)	0.7055 (14)	0.123 (15)	0.1861
H10B	0.805502	0.554882	0.698515	0.148*	0.1861
C11B	0.7605 (13)	0.456 (2)	0.6861 (11)	0.119 (14)	0.1861
H11B	0.741021	0.487020	0.665893	0.142*	0.1861
C12B	0.7506 (11)	0.370 (2)	0.6964 (9)	0.109 (12)	0.1861
C4	0.8693 (11)	0.225 (3)	0.3508 (10)	0.080*	0.2092
H4A	0.863130	0.161765	0.355397	0.080*	0.2092
H4B	0.887110	0.227709	0.330297	0.080*	0.2092
C5	0.8265 (11)	0.275 (3)	0.3358 (8)	0.080*	0.2092
H5A	0.810289	0.245834	0.311429	0.080*	0.2092
H5B	0.832818	0.337235	0.328998	0.080*	0.2092
C6	0.7984 (9)	0.276 (3)	0.3675 (10)	0.080*	0.2092
H6C	0.790342	0.214391	0.373087	0.080*	0.2092
H6D	0.771499	0.310285	0.357458	0.080*	0.2092
C7	0.8240 (11)	0.320 (3)	0.4059 (10)	0.080*	0.2092
H7A	0.830115	0.382749	0.400720	0.080*	0.2092
H7B	0.806261	0.318260	0.426563	0.080*	0.2092
C9	0.8668 (11)	0.270 (3)	0.4211 (8)	0.080*	0.2092
H9C	0.883152	0.299845	0.445215	0.080*	0.2092
H9D	0.860394	0.208053	0.428534	0.080*	0.2092
C10	0.8948 (9)	0.266 (3)	0.3896 (10)	0.080*	0.2092
H10C	0.904111	0.327449	0.384330	0.080*	0.2092
H10D	0.921105	0.230235	0.399671	0.080*	0.2092
C11	0.5664 (19)	0.045 (3)	0.4705 (12)	0.125 (16)	0.197
H11C	0.546219	−0.005360	0.461505	0.150*	0.197
H11D	0.596106	0.024520	0.469889	0.150*	0.197
C12	0.5639 (17)	0.071 (4)	0.5130 (11)	0.124 (16)	0.197
H12A	0.573000	0.020097	0.531098	0.149*	0.197
H12B	0.533556	0.086137	0.514002	0.149*	0.197
C13	0.5931 (16)	0.152 (4)	0.5272 (10)	0.124 (16)	0.197
H13E	0.589748	0.169443	0.554107	0.148*	0.197
H13F	0.623793	0.134808	0.528858	0.148*	0.197
C15	0.5817 (18)	0.231 (3)	0.4987 (15)	0.134 (17)	0.197
H15G	0.601882	0.280999	0.507753	0.161*	0.197
H15H	0.551910	0.251684	0.498892	0.161*	0.197
C16	0.5847 (19)	0.204 (4)	0.4563 (13)	0.135 (17)	0.197
H16A	0.614895	0.186951	0.455719	0.162*	0.197
H16B	0.576458	0.254980	0.438027	0.162*	0.197
C17	0.5543 (18)	0.125 (4)	0.4423 (10)	0.131 (17)	0.197
H17A	0.523953	0.142380	0.441562	0.158*	0.197
H17B	0.556645	0.107161	0.415003	0.158*	0.197
O2B	0.8446 (13)	0.319 (3)	0.7751 (13)	0.137 (15)	0.1861
C14B	0.8826 (19)	0.364 (5)	0.796 (3)	0.16 (3)	0.1861
H14D	0.898272	0.389892	0.777004	0.240*	0.1861
H14E	0.901375	0.321222	0.813134	0.240*	0.1861
H14F	0.874255	0.411662	0.812541	0.240*	0.1861
C15B	0.681 (2)	0.383 (5)	0.652 (2)	0.16 (3)	0.1861
H15D	0.683456	0.374611	0.624537	0.241*	0.1861
H15E	0.684314	0.445720	0.659417	0.241*	0.1861
H15F	0.651703	0.362743	0.654882	0.241*	0.1861
O1B	0.715 (3)	0.402 (3)	0.760 (2)	0.21 (3)	0.1861
H1BA	0.688419	0.405661	0.757606	0.313*	0.1861
C13B	0.7322 (18)	0.338 (3)	0.7896 (13)	0.122 (14)	0.1861
H13C	0.711879	0.330870	0.807841	0.147*	0.1861
H13D	0.760224	0.358914	0.805459	0.147*	0.1861
C2	1.0289 (16)	0.640 (3)	0.5227 (13)	0.18 (2)	0.2533
H2C	1.043511	0.625343	0.500656	0.214*	0.2533
H2D	1.050619	0.635029	0.547975	0.214*	0.2533
C3	0.992 (2)	0.574 (2)	0.5229 (14)	0.19 (2)	0.2533
H3C	1.004392	0.512975	0.528334	0.227*	0.2533
H3D	0.972583	0.572841	0.496288	0.227*	0.2533
C1	0.966 (2)	0.598 (3)	0.5542 (16)	0.20 (2)	0.2533
H1C	0.984574	0.591874	0.581083	0.241*	0.2533
H1D	0.941430	0.555286	0.552371	0.241*	0.2533
C8	0.9482 (17)	0.693 (4)	0.5484 (16)	0.20 (2)	0.2533
H8A	0.926986	0.697345	0.522832	0.239*	0.2533
H8B	0.932982	0.708143	0.570035	0.239*	0.2533
C14	0.985 (2)	0.760 (3)	0.5487 (15)	0.19 (2)	0.2533
H14G	0.972783	0.820484	0.543093	0.229*	0.2533
H14H	1.004309	0.760743	0.575422	0.229*	0.2533
C18	1.0118 (19)	0.736 (3)	0.5177 (14)	0.18 (2)	0.2533
H18A	1.036523	0.777711	0.520220	0.217*	0.2533
H18B	0.993506	0.743086	0.490744	0.217*	0.2533

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I304	0.0983 (19)	0.0424 (14)	0.0988 (17)	0.0055 (11)	−0.0144 (16)	0.0057 (10)
I312	0.0708 (19)	0.0680 (14)	0.1238 (19)	−0.0080 (12)	−0.0021 (16)	−0.0479 (14)
I307	0.1008 (9)	0.0394 (6)	0.0943 (11)	−0.0168 (6)	0.0349 (7)	−0.0131 (6)
I409	0.246 (12)	0.048 (3)	0.133 (6)	−0.034 (5)	−0.095 (6)	0.023 (3)
I311	0.115 (3)	0.055 (2)	0.152 (3)	−0.034 (2)	−0.065 (2)	0.0518 (19)
I406	0.0690 (11)	0.081 (3)	0.127 (3)	0.0047 (14)	−0.0118 (14)	−0.044 (2)
I402	0.323 (9)	0.074 (3)	0.436 (11)	0.105 (4)	0.269 (9)	0.107 (4)
I401	0.582 (16)	0.102 (4)	0.226 (7)	−0.177 (6)	0.260 (9)	−0.115 (4)
I308	0.0849 (8)	0.0451 (9)	0.1285 (13)	0.0035 (6)	−0.0044 (8)	0.0116 (7)
I303	0.0954 (16)	0.117 (2)	0.0824 (16)	0.0334 (14)	0.0131 (12)	0.0156 (14)
I410	0.201 (8)	0.181 (9)	0.070 (2)	0.126 (7)	0.006 (3)	0.020 (4)
I405	0.110 (2)	0.0372 (12)	0.1231 (17)	0.0002 (12)	−0.0384 (14)	0.0082 (10)
Zn36	0.0488 (18)	0.023 (2)	0.090 (3)	0.0009 (15)	−0.0273 (18)	−0.0022 (17)
Zn32	0.083 (3)	0.050 (3)	0.055 (3)	0.006 (2)	−0.011 (2)	−0.007 (2)
Zn45	0.102 (3)	0.0537 (10)	0.0598 (10)	0.0260 (17)	−0.0364 (16)	−0.0115 (7)
Zn43	0.064 (3)	0.050 (4)	0.090 (3)	0.011 (2)	−0.039 (2)	−0.020 (2)
Zn31	0.36 (2)	0.015 (3)	0.242 (12)	0.011 (6)	0.196 (14)	0.007 (4)
Zn34	0.0766 (14)	0.0363 (16)	0.0848 (17)	−0.0084 (10)	0.0150 (13)	0.0007 (12)
N320	0.063 (4)	0.022 (3)	0.067 (4)	0.002 (3)	−0.013 (3)	−0.005 (3)
N321	0.069 (4)	0.030 (3)	0.067 (4)	−0.001 (3)	−0.019 (3)	−0.006 (3)
N304	0.075 (5)	0.030 (3)	0.066 (4)	−0.002 (3)	−0.011 (4)	−0.001 (3)
N316	0.074 (5)	0.038 (4)	0.059 (4)	−0.002 (3)	−0.012 (3)	−0.005 (3)
N309	0.073 (4)	0.034 (4)	0.072 (5)	0.003 (3)	−0.023 (4)	−0.013 (3)
N322	0.068 (4)	0.029 (3)	0.056 (4)	0.001 (3)	−0.013 (3)	−0.005 (3)
N317	0.067 (5)	0.044 (4)	0.082 (5)	0.006 (3)	−0.021 (4)	−0.004 (4)
N315	0.071 (5)	0.053 (4)	0.060 (4)	−0.005 (4)	−0.010 (4)	−0.006 (3)
N308	0.078 (5)	0.037 (4)	0.074 (5)	0.001 (3)	−0.022 (4)	−0.007 (3)
N324	0.075 (5)	0.024 (3)	0.101 (6)	0.007 (3)	−0.038 (4)	−0.005 (3)
N310	0.077 (5)	0.036 (4)	0.080 (5)	0.000 (3)	−0.018 (4)	−0.006 (3)
N306	0.089 (6)	0.056 (5)	0.055 (4)	−0.006 (4)	−0.011 (4)	−0.008 (4)
N302	0.073 (5)	0.046 (4)	0.069 (5)	−0.001 (3)	−0.008 (4)	0.006 (3)
N323	0.117 (7)	0.024 (3)	0.082 (5)	−0.006 (4)	0.012 (5)	−0.007 (3)
N303	0.089 (6)	0.048 (4)	0.070 (5)	0.002 (4)	−0.010 (4)	0.007 (4)
C343	0.066 (5)	0.041 (4)	0.053 (5)	−0.007 (4)	−0.009 (4)	−0.010 (4)
N318	0.097 (5)	0.057 (5)	0.062 (4)	0.000 (4)	−0.018 (4)	−0.011 (4)
N305	0.079 (6)	0.050 (5)	0.097 (7)	−0.003 (4)	−0.025 (5)	−0.009 (5)
C316	0.077 (6)	0.037 (4)	0.059 (5)	−0.009 (4)	−0.011 (4)	0.000 (4)
N301	0.122 (8)	0.044 (4)	0.084 (6)	0.004 (5)	0.030 (6)	0.001 (4)
N311	0.092 (6)	0.032 (4)	0.109 (7)	0.010 (4)	−0.040 (5)	−0.013 (4)
N312	0.097 (6)	0.041 (4)	0.092 (6)	−0.001 (4)	0.012 (5)	−0.002 (4)
N319	0.104 (6)	0.039 (4)	0.067 (5)	0.016 (4)	−0.039 (4)	−0.014 (3)
C360	0.063 (5)	0.032 (4)	0.062 (5)	0.007 (3)	−0.010 (4)	−0.008 (3)
N314	0.116 (7)	0.049 (5)	0.064 (5)	−0.022 (5)	0.005 (5)	−0.009 (4)
C345	0.068 (5)	0.049 (5)	0.057 (5)	0.001 (4)	−0.018 (4)	−0.008 (4)
C307	0.077 (6)	0.046 (5)	0.058 (5)	−0.001 (4)	−0.015 (5)	−0.002 (4)
N307	0.102 (6)	0.050 (5)	0.076 (5)	0.012 (4)	−0.025 (5)	−0.015 (4)
C324	0.075 (6)	0.035 (4)	0.069 (5)	0.006 (4)	−0.015 (4)	−0.014 (4)
C362	0.058 (4)	0.031 (4)	0.060 (5)	0.004 (3)	−0.018 (4)	−0.006 (3)
C363	0.070 (5)	0.030 (4)	0.059 (5)	0.000 (3)	−0.009 (4)	−0.005 (3)
C344	0.080 (6)	0.045 (5)	0.057 (5)	−0.008 (4)	−0.003 (5)	−0.007 (4)
C361	0.072 (5)	0.025 (4)	0.062 (5)	0.002 (3)	−0.010 (4)	−0.004 (3)
C309	0.073 (6)	0.036 (4)	0.079 (6)	−0.005 (4)	−0.020 (5)	−0.004 (4)
C357	0.076 (6)	0.040 (5)	0.061 (5)	0.005 (4)	−0.023 (4)	−0.008 (4)
C370	0.063 (5)	0.026 (4)	0.073 (5)	−0.001 (3)	−0.016 (4)	−0.013 (3)
C349	0.077 (6)	0.046 (5)	0.060 (5)	0.002 (4)	−0.013 (5)	−0.001 (4)
C308	0.066 (5)	0.034 (4)	0.060 (5)	0.004 (4)	−0.012 (4)	0.003 (3)
C352	0.085 (5)	0.046 (5)	0.059 (5)	−0.005 (4)	−0.012 (4)	−0.005 (4)
N313	0.117 (8)	0.066 (6)	0.094 (7)	−0.028 (6)	0.033 (6)	−0.006 (5)
C321	0.091 (7)	0.034 (5)	0.082 (6)	0.010 (4)	−0.023 (5)	−0.010 (4)
O3A	0.107 (8)	0.067 (7)	0.068 (6)	−0.037 (6)	0.006 (6)	−0.013 (5)
C325	0.081 (6)	0.035 (4)	0.070 (6)	0.003 (4)	−0.014 (5)	−0.010 (4)
C327	0.075 (6)	0.036 (4)	0.080 (6)	0.006 (4)	−0.028 (5)	−0.017 (4)
C334	0.080 (6)	0.044 (5)	0.067 (5)	−0.002 (4)	−0.010 (5)	−0.006 (4)
C315	0.076 (6)	0.065 (6)	0.083 (7)	−0.006 (5)	−0.006 (5)	−0.015 (5)
C369	0.074 (6)	0.035 (4)	0.094 (7)	0.004 (4)	−0.036 (5)	−0.002 (4)
C367	0.086 (6)	0.036 (5)	0.077 (6)	0.005 (4)	−0.015 (5)	−0.002 (4)
C303	0.082 (6)	0.045 (5)	0.078 (6)	0.001 (4)	−0.006 (5)	0.008 (4)
O2A	0.075 (7)	0.064 (7)	0.103 (8)	0.025 (5)	0.018 (6)	0.012 (6)
C371	0.086 (6)	0.032 (4)	0.088 (7)	−0.002 (4)	−0.023 (5)	0.005 (4)
C326	0.078 (6)	0.034 (4)	0.069 (5)	0.005 (4)	−0.008 (4)	−0.001 (4)
C348	0.064 (5)	0.051 (5)	0.070 (6)	0.006 (4)	−0.009 (4)	0.007 (4)
C317	0.103 (8)	0.062 (6)	0.069 (6)	−0.024 (6)	−0.008 (6)	−0.017 (5)
C359	0.100 (7)	0.039 (5)	0.066 (5)	0.004 (5)	−0.022 (5)	−0.005 (4)
C306	0.073 (6)	0.049 (5)	0.063 (5)	−0.001 (4)	−0.015 (4)	0.005 (4)
C313	0.084 (7)	0.062 (6)	0.065 (6)	−0.006 (5)	−0.019 (5)	−0.002 (5)
C320	0.093 (7)	0.050 (6)	0.082 (7)	−0.004 (5)	−0.030 (6)	−0.010 (5)
C372	0.088 (7)	0.046 (5)	0.098 (8)	−0.004 (5)	−0.034 (6)	0.001 (5)
C339	0.106 (8)	0.062 (6)	0.073 (6)	−0.016 (6)	0.009 (6)	0.001 (5)
C342	0.112 (8)	0.054 (6)	0.057 (5)	−0.020 (5)	0.001 (5)	−0.003 (4)
C312	0.078 (6)	0.059 (6)	0.085 (7)	−0.002 (5)	−0.021 (5)	0.014 (5)
C328	0.087 (7)	0.035 (5)	0.098 (7)	−0.003 (4)	−0.018 (6)	0.002 (4)
C358	0.086 (6)	0.040 (5)	0.064 (5)	0.004 (4)	−0.025 (5)	−0.002 (4)
C365	0.131 (10)	0.038 (5)	0.077 (7)	−0.016 (6)	−0.010 (6)	−0.013 (5)
C366	0.094 (7)	0.039 (5)	0.084 (7)	0.009 (5)	−0.009 (6)	−0.003 (4)
C364	0.107 (8)	0.034 (5)	0.075 (6)	−0.005 (5)	−0.017 (6)	−0.006 (4)
C314	0.077 (7)	0.062 (7)	0.104 (9)	−0.002 (5)	−0.029 (6)	−0.025 (6)
C353	0.080 (6)	0.074 (7)	0.095 (7)	−0.011 (5)	−0.009 (5)	−0.036 (5)
C318	0.124 (9)	0.056 (6)	0.066 (6)	−0.019 (6)	0.012 (6)	−0.005 (5)
C368	0.075 (6)	0.035 (5)	0.110 (8)	0.000 (4)	−0.036 (6)	0.006 (5)
C322	0.097 (8)	0.043 (5)	0.105 (8)	0.005 (5)	−0.042 (6)	−0.019 (5)
C332	0.104 (8)	0.037 (5)	0.111 (9)	−0.016 (5)	0.002 (7)	−0.022 (5)
C346	0.105 (8)	0.061 (6)	0.085 (7)	−0.027 (6)	0.013 (6)	−0.028 (5)
C356	0.101 (8)	0.038 (5)	0.104 (8)	−0.006 (5)	−0.055 (7)	0.002 (5)
C319	0.109 (8)	0.042 (5)	0.086 (7)	−0.014 (5)	−0.029 (6)	−0.009 (5)
C304	0.127 (11)	0.073 (8)	0.094 (8)	−0.028 (7)	0.026 (8)	−0.025 (6)
C335	0.123 (9)	0.030 (5)	0.100 (8)	0.008 (5)	−0.021 (7)	−0.003 (5)
C323	0.096 (7)	0.032 (5)	0.108 (8)	0.003 (4)	−0.046 (6)	−0.015 (5)
C333	0.095 (7)	0.040 (5)	0.093 (7)	−0.006 (5)	−0.009 (6)	−0.012 (5)
C354	0.087 (6)	0.072 (7)	0.097 (7)	0.004 (5)	−0.005 (5)	−0.031 (6)
C355	0.108 (8)	0.037 (5)	0.115 (9)	−0.001 (5)	−0.060 (7)	0.003 (5)
C305	0.127 (11)	0.075 (8)	0.119 (11)	−0.037 (8)	0.033 (9)	−0.032 (8)
O1A	0.069 (6)	0.087 (8)	0.106 (9)	−0.018 (6)	0.003 (6)	−0.048 (7)
C4A	0.060 (7)	0.018 (5)	0.092 (9)	0.002 (5)	0.003 (6)	−0.002 (5)
C5A	0.071 (8)	0.040 (7)	0.103 (11)	−0.006 (6)	0.004 (8)	−0.013 (7)
C6A	0.058 (8)	0.046 (8)	0.137 (14)	0.002 (6)	−0.007 (9)	−0.028 (9)
C1A	0.054 (7)	0.047 (8)	0.118 (13)	0.004 (6)	−0.027 (8)	0.006 (8)
C2A	0.046 (7)	0.059 (9)	0.111 (12)	−0.011 (6)	−0.017 (7)	0.031 (8)
C3A	0.046 (6)	0.041 (7)	0.091 (10)	−0.004 (5)	−0.016 (6)	0.007 (6)
C336	0.147 (12)	0.044 (6)	0.099 (9)	0.013 (7)	−0.010 (8)	0.002 (6)
C338	0.132 (11)	0.080 (8)	0.102 (9)	−0.032 (8)	0.046 (9)	−0.032 (7)
C330	0.132 (11)	0.054 (7)	0.129 (11)	−0.008 (7)	−0.078 (9)	0.006 (7)
C331	0.139 (11)	0.032 (5)	0.123 (10)	−0.006 (6)	−0.074 (9)	0.000 (5)
C329	0.082 (7)	0.046 (5)	0.099 (8)	−0.006 (5)	−0.030 (6)	−0.003 (5)
C301	0.106 (9)	0.092 (9)	0.080 (8)	−0.011 (7)	0.005 (7)	−0.013 (7)
C337	0.135 (12)	0.116 (12)	0.096 (9)	−0.016 (10)	0.052 (9)	−0.022 (8)
C7A	0.091 (9)	0.030 (6)	0.072 (8)	−0.004 (6)	0.017 (7)	0.000 (6)
C347	0.115 (10)	0.087 (9)	0.094 (9)	−0.036 (8)	0.016 (8)	−0.038 (7)
C302	0.101 (9)	0.084 (8)	0.083 (8)	−0.014 (7)	0.007 (7)	−0.020 (6)
C340	0.152 (13)	0.104 (11)	0.097 (9)	−0.059 (10)	0.045 (10)	−0.033 (8)
C310	0.154 (13)	0.073 (8)	0.124 (11)	−0.041 (9)	0.041 (10)	−0.045 (8)
C311	0.136 (13)	0.077 (9)	0.149 (14)	−0.040 (9)	0.028 (11)	−0.057 (9)
C341	0.160 (15)	0.111 (12)	0.107 (11)	−0.060 (11)	0.053 (11)	−0.029 (9)
C8A	0.091 (10)	0.044 (7)	0.084 (10)	0.012 (7)	0.027 (8)	0.006 (7)
C12A	0.115 (11)	0.036 (7)	0.068 (8)	−0.018 (7)	0.029 (8)	−0.016 (6)
C9A	0.142 (15)	0.047 (9)	0.098 (12)	0.032 (10)	0.050 (11)	0.014 (8)
C10A	0.189 (19)	0.031 (7)	0.084 (11)	−0.001 (10)	0.064 (12)	−0.004 (7)
C11A	0.157 (17)	0.057 (9)	0.069 (10)	−0.030 (10)	0.037 (11)	−0.017 (8)
C15A	0.143 (18)	0.114 (16)	0.094 (13)	−0.085 (15)	0.038 (13)	−0.042 (12)
C13A	0.111 (13)	0.057 (10)	0.118 (14)	0.016 (9)	0.017 (11)	−0.027 (10)
C350	0.133 (9)	0.139 (12)	0.149 (11)	−0.066 (9)	0.036 (8)	−0.095 (10)
C351	0.139 (10)	0.158 (13)	0.136 (11)	−0.081 (10)	0.053 (9)	−0.087 (10)
C14A	0.063 (11)	0.094 (16)	0.25 (3)	0.017 (11)	−0.007 (15)	0.030 (18)
I404	0.139 (5)	0.0429 (19)	0.155 (6)	0.022 (2)	−0.080 (4)	−0.009 (2)
Zn42	0.114 (6)	0.052 (4)	0.092 (6)	0.024 (4)	−0.045 (4)	−0.019 (3)
I403	0.190 (5)	0.152 (5)	0.111 (4)	0.070 (4)	0.013 (3)	−0.020 (4)
I309	0.120 (3)	0.045 (2)	0.0741 (17)	0.0122 (19)	−0.0400 (18)	−0.0002 (13)
Zn35	0.102 (3)	0.0537 (10)	0.0598 (10)	0.0260 (17)	−0.0364 (16)	−0.0115 (7)
I310	0.0861 (17)	0.105 (5)	0.076 (2)	0.051 (3)	0.0026 (13)	0.020 (3)
I411	0.087 (2)	0.049 (2)	0.183 (6)	0.0170 (18)	−0.016 (2)	0.026 (2)
Zn46	0.105 (7)	0.032 (5)	0.130 (8)	0.015 (3)	−0.066 (6)	−0.004 (4)
I412	0.067 (2)	0.117 (4)	0.225 (6)	0.014 (2)	−0.060 (3)	−0.112 (4)
I305	0.114 (3)	0.058 (3)	0.282 (8)	−0.001 (2)	−0.015 (5)	0.059 (4)
Zn33	0.079 (5)	0.028 (3)	0.137 (7)	−0.001 (3)	−0.029 (4)	−0.004 (3)
I306	0.143 (6)	0.082 (3)	0.113 (3)	0.011 (4)	−0.045 (4)	−0.031 (2)
I407	0.404 (10)	0.071 (3)	0.173 (5)	−0.101 (4)	0.179 (6)	−0.065 (3)
Zn44	0.303 (15)	0.028 (3)	0.192 (10)	−0.007 (6)	0.144 (10)	−0.007 (4)
I408	0.325 (10)	0.091 (4)	0.334 (10)	0.108 (5)	0.183 (8)	0.083 (5)
I301	0.1533 (16)	0.0522 (12)	0.0864 (13)	−0.0422 (10)	0.0349 (12)	−0.0331 (10)
Zn41	0.089 (2)	0.0257 (19)	0.080 (2)	−0.0103 (14)	0.0168 (18)	−0.0131 (14)
I302	0.0873 (9)	0.0289 (7)	0.1446 (14)	0.0029 (6)	0.0185 (9)	−0.0083 (8)
I509	0.21 (2)	0.035 (6)	0.169 (18)	0.022 (10)	−0.112 (18)	0.001 (7)
I510	0.22 (2)	0.118 (14)	0.123 (14)	0.032 (13)	−0.002 (12)	−0.007 (10)
Zn55	0.102 (3)	0.0537 (10)	0.0598 (10)	0.0260 (17)	−0.0364 (16)	−0.0115 (7)
C4B	0.08 (2)	0.136 (19)	0.06 (2)	0.021 (17)	−0.020 (16)	0.030 (15)
C5B	0.066 (19)	0.14 (2)	0.06 (3)	0.011 (19)	−0.027 (16)	0.020 (17)
C6B	0.06 (2)	0.14 (2)	0.06 (3)	0.02 (2)	−0.023 (17)	0.03 (2)
C1B	0.06 (3)	0.14 (2)	0.07 (3)	−0.01 (2)	−0.011 (19)	0.02 (2)
C2B	0.07 (3)	0.14 (2)	0.06 (3)	−0.01 (2)	−0.017 (19)	0.01 (2)
C3B	0.07 (2)	0.14 (2)	0.06 (3)	−0.01 (2)	−0.015 (18)	0.013 (18)
O3B	0.16 (3)	0.08 (2)	0.047 (17)	0.031 (18)	0.005 (16)	−0.006 (15)
C7B	0.13 (2)	0.14 (2)	0.09 (2)	0.014 (17)	0.012 (15)	0.025 (17)
C8B	0.12 (2)	0.12 (2)	0.12 (3)	0.020 (18)	0.006 (18)	0.02 (2)
C9B	0.14 (3)	0.12 (2)	0.11 (3)	0.02 (2)	0.03 (2)	0.01 (2)
C10B	0.15 (3)	0.13 (3)	0.10 (3)	0.01 (2)	0.03 (2)	0.02 (2)
C11B	0.15 (3)	0.12 (2)	0.09 (3)	0.01 (2)	0.03 (2)	0.01 (2)
C12B	0.14 (2)	0.12 (2)	0.07 (2)	0.021 (18)	0.020 (16)	0.018 (17)
C11	0.08 (3)	0.23 (5)	0.06 (2)	−0.01 (3)	0.00 (2)	−0.04 (2)
C12	0.07 (2)	0.23 (5)	0.07 (2)	−0.02 (3)	0.012 (19)	−0.05 (2)
C13	0.07 (2)	0.23 (5)	0.08 (2)	−0.02 (3)	0.02 (2)	−0.05 (2)
C15	0.07 (3)	0.23 (5)	0.10 (2)	−0.01 (3)	0.01 (2)	−0.04 (2)
C16	0.08 (3)	0.23 (5)	0.09 (2)	−0.01 (3)	0.01 (2)	−0.03 (3)
C17	0.09 (3)	0.23 (5)	0.07 (2)	0.00 (3)	0.01 (2)	−0.03 (2)
O2B	0.14 (3)	0.12 (3)	0.13 (3)	0.03 (2)	−0.01 (2)	0.01 (2)
C14B	0.11 (4)	0.16 (5)	0.19 (6)	0.06 (3)	−0.01 (3)	−0.05 (5)
C15B	0.20 (4)	0.16 (6)	0.09 (4)	0.05 (4)	−0.04 (4)	0.00 (4)
O1B	0.20 (6)	0.13 (3)	0.24 (5)	0.00 (4)	−0.07 (5)	0.04 (4)
C13B	0.08 (3)	0.15 (2)	0.11 (3)	0.02 (2)	−0.02 (2)	0.00 (2)
C2	0.33 (6)	0.09 (3)	0.07 (2)	−0.01 (3)	−0.08 (3)	0.00 (2)
C3	0.32 (6)	0.11 (3)	0.09 (2)	−0.01 (3)	−0.08 (3)	0.03 (2)
C1	0.32 (6)	0.13 (3)	0.10 (3)	−0.01 (3)	−0.07 (3)	0.03 (3)
C8	0.32 (6)	0.12 (3)	0.11 (3)	−0.02 (3)	−0.07 (3)	0.01 (3)
C14	0.31 (6)	0.12 (3)	0.10 (2)	−0.02 (3)	−0.07 (3)	−0.01 (3)
C18	0.32 (6)	0.10 (2)	0.08 (2)	−0.01 (3)	−0.08 (3)	0.00 (2)

Geometric parameters (Å, º)

I304—Zn32	2.527 (8)	C319—H319	0.9500
I312—Zn36	2.512 (6)	C304—H304	0.9500
I307—Zn34	2.532 (5)	C304—C305	1.411 (19)
I409—Zn45	2.548 (11)	C335—H335	0.9500
I311—Zn36	2.528 (8)	C335—C336	1.384 (15)
I406—Zn43	2.509 (10)	C323—H323	0.9500
I402—Zn31	2.518 (12)	C333—H333	0.9500
I401—Zn31	2.527 (12)	C354—H354	0.9500
I308—Zn34	2.527 (4)	C355—H355	0.9500
I303—Zn32	2.537 (8)	C305—H305	0.9500
I410—Zn45	2.524 (12)	O1A—H1A	0.8400
I405—Zn43	2.562 (9)	O1A—C13A	1.412 (16)
Zn36—N317^i	2.003 (12)	C4A—C5A	1.3900
Zn36—N324	2.071 (9)	C4A—C3A	1.3900
Zn32—N306	2.052 (11)	C4A—C7A	1.494 (11)
Zn32—N307	2.086 (12)	C5A—C6A	1.3900
Zn45—N318	2.070 (13)	C5A—C13A	1.508 (15)
Zn45—N319	2.050 (12)	C6A—H6A	0.9500
Zn43—N305^ii	2.124 (14)	C6A—C1A	1.3900
Zn43—N311	2.089 (10)	C1A—H1AA	0.9500
Zn31—N323^iii	2.006 (12)	C1A—C2A	1.3900
Zn31—N301	2.088 (14)	C2A—H2A	0.9500
Zn34—N312	2.080 (9)	C2A—C3A	1.3900
Zn34—N313	2.072 (11)	C3A—H3A	0.9500
N320—C360	1.358 (10)	C336—H336	0.9500
N320—C362	1.330 (10)	C338—H338	0.9500
N321—C360	1.311 (11)	C338—C337	1.405 (19)
N321—C361	1.342 (10)	C330—H330	0.9500
N304—C307	1.347 (12)	C330—C331	1.389 (15)
N304—C308	1.347 (11)	C331—H331	0.9500
N316—C343	1.345 (11)	C329—H329	0.9500
N316—C344	1.362 (12)	C301—H301	0.9500
N309—C324	1.333 (11)	C301—C302	1.367 (19)
N309—C325	1.325 (12)	C337—H337	0.9500
N322—C362	1.319 (11)	C7A—C8A	1.393 (13)
N322—C361	1.340 (10)	C7A—C12A	1.394 (13)
N317—C348	1.364 (13)	C347—H347	0.9500
N317—C347	1.301 (16)	C302—H302	0.9500
N317—Zn46^iv	2.20 (2)	C340—H340	0.9500
N317—Zn56^iv	2.36 (7)	C340—C341	1.39 (2)
N315—C343	1.307 (12)	C310—H310	0.9500
N315—C342	1.334 (13)	C310—C311	1.455 (19)
N308—C324	1.325 (12)	C311—H311	0.9500
N308—C326	1.329 (12)	C311—Zn53^vi	2.38 (4)
N324—C372	1.333 (13)	C341—H341	0.9500
N324—C368	1.361 (12)	C8A—C9A	1.390 (13)
N324—Zn46	2.105 (13)	C12A—C11A	1.390 (13)
N324—Zn56	2.18 (5)	C9A—H9A	0.9500
N310—C325	1.339 (12)	C9A—C10A	1.376 (14)
N310—C326	1.350 (12)	C10A—H10A	0.9500
N306—C314	1.295 (16)	C10A—C11A	1.375 (14)
N306—C318	1.320 (14)	C11A—H11A	0.9500
N306—Zn42	2.057 (12)	C15A—H15A	0.9800
N302—C308	1.308 (13)	C15A—H15B	0.9800
N302—C306	1.354 (13)	C15A—H15C	0.9800
N323—C365	1.325 (14)	C13A—H13A	0.9900
N323—C366	1.306 (13)	C13A—H13B	0.9900
N323—Zn41^v	2.119 (8)	C350—H350	0.9500
N323—Zn51^v	2.25 (8)	C350—C351	1.384 (19)
N303—C307	1.307 (14)	C351—H351	0.9500
N303—C306	1.314 (13)	C14A—H14A	0.9800
C343—C345	1.496 (13)	C14A—H14B	0.9800
N318—C354	1.292 (15)	C14A—H14C	0.9800
N318—C350	1.337 (19)	I404—Zn42	2.534 (10)
N318—Zn35	2.068 (13)	Zn42—I403	2.533 (10)
N318—Zn55	2.06 (3)	I309—Zn35	2.544 (10)
N305—C312	1.317 (15)	Zn35—I310	2.524 (10)
N305—C311	1.285 (19)	I411—Zn46	2.547 (12)
N305—Zn33^vi	2.029 (15)	Zn46—I412	2.534 (12)
N305—Zn53^vi	1.87 (4)	I305—Zn33	2.526 (9)
C316—C308	1.489 (13)	Zn33—I306	2.502 (11)
C316—C315	1.365 (14)	I407—Zn44	2.525 (10)
C316—C317	1.353 (16)	Zn44—I408	2.537 (12)
N301—C305	1.301 (16)	I301—Zn41	2.520 (4)
N301—C301	1.332 (16)	Zn41—I302	2.526 (4)
N301—Zn41	2.050 (11)	I509—Zn55	2.35 (4)
N301—Zn51	2.64 (8)	I510—Zn55	2.67 (5)
N311—C330	1.280 (15)	I511—Zn56	2.49 (6)
N311—C329	1.333 (13)	I512—Zn56	2.35 (5)
N311—Zn33	2.072 (11)	I505—Zn53	2.555 (17)
N311—Zn53	2.28 (5)	I506—Zn53	2.510 (17)
N312—C332	1.301 (15)	I502—Zn51	2.52 (8)
N312—C336	1.309 (16)	I501—Zn51	2.14 (8)
N312—Zn44	2.093 (11)	C4B—C5B	1.3900
N319—C359	1.316 (13)	C4B—C3B	1.3900
N319—C355	1.318 (14)	C4B—C7B	1.500 (19)
N319—Zn35	2.046 (12)	C5B—C6B	1.3900
N319—Zn55	2.30 (2)	C5B—C13B	1.51 (2)
C360—C357	1.473 (11)	C6B—H6B	0.9500
N314—C344	1.305 (14)	C6B—C1B	1.3900
N314—C342	1.335 (13)	C1B—H1B	0.9500
C345—C349	1.356 (15)	C1B—C2B	1.3900
C345—C346	1.369 (14)	C2B—H2B	0.9500
C307—C309	1.497 (13)	C2B—C3B	1.3900
N307—C319	1.357 (13)	C3B—H3B	0.9500
N307—C323	1.319 (13)	O3B—C12B	1.354 (19)
N307—Zn42	2.066 (12)	O3B—C15B	1.44 (2)
C324—C321	1.480 (13)	C7B—C8B	1.3900
C362—C370	1.496 (10)	C7B—C12B	1.3900
C363—C361	1.495 (11)	C8B—C9B	1.3900
C363—C367	1.399 (12)	C8B—O2B	1.36 (2)
C363—C364	1.374 (12)	C9B—H9B	0.9500
C344—C352	1.463 (13)	C9B—C10B	1.3900
C309—C313	1.386 (16)	C10B—H10B	0.9500
C309—C310	1.352 (16)	C10B—C11B	1.3900
C357—C358	1.359 (13)	C11B—H11B	0.9500
C357—C356	1.413 (13)	C11B—C12B	1.3900
C370—C369	1.362 (13)	C4—H4A	0.9900
C370—C371	1.373 (12)	C4—H4B	0.9900
C349—H349	0.9500	C4—C5	1.535 (13)
C349—C348	1.359 (14)	C4—C10	1.534 (13)
C352—C353	1.315 (17)	C5—H5A	0.9900
C352—C351	1.374 (17)	C5—H5B	0.9900
N313—C337	1.325 (18)	C5—C6	1.540 (13)
N313—C341	1.303 (17)	C6—H6C	0.9900
N313—Zn44	2.045 (14)	C6—H6D	0.9900
C321—C320	1.334 (14)	C6—C7	1.541 (13)
C321—C322	1.396 (14)	C7—H7A	0.9900
O3A—C12A	1.40 (2)	C7—H7B	0.9900
O3A—C15A	1.433 (17)	C7—C9	1.536 (13)
C325—C327	1.490 (12)	C9—H9C	0.9900
C327—C328	1.374 (14)	C9—H9D	0.9900
C327—C331	1.386 (14)	C9—C10	1.536 (13)
C334—C326	1.482 (13)	C10—H10C	0.9900
C334—C335	1.383 (15)	C10—H10D	0.9900
C334—C333	1.390 (13)	C11—H11C	0.9900
C315—H315	0.9500	C11—H11D	0.9900
C315—C314	1.420 (16)	C11—C12	1.534 (13)
C369—H369	0.9500	C11—C17	1.537 (13)
C369—C368	1.375 (13)	C12—H12A	0.9900
C367—H367	0.9500	C12—H12B	0.9900
C367—C366	1.398 (13)	C12—C13	1.535 (13)
C303—C306	1.500 (16)	C13—H13E	0.9900
C303—C304	1.366 (16)	C13—H13F	0.9900
C303—C302	1.343 (16)	C13—C15	1.534 (13)
O2A—C8A	1.37 (2)	C15—H15G	0.9900
O2A—C14A	1.437 (16)	C15—H15H	0.9900
C371—H371	0.9500	C15—C16	1.538 (13)
C371—C372	1.368 (14)	C16—H16A	0.9900
C348—H348	0.9500	C16—H16B	0.9900
C317—H317	0.9500	C16—C17	1.538 (13)
C317—C318	1.396 (15)	C17—H17A	0.9900
C359—H359	0.9500	C17—H17B	0.9900
C359—C358	1.376 (12)	O2B—C14B	1.43 (2)
C313—H313	0.9500	C14B—H14D	0.9801
C313—C312	1.416 (15)	C14B—H14E	0.9800
C320—H320	0.9500	C14B—H14F	0.9800
C320—C319	1.390 (15)	C15B—H15D	0.9800
C372—H372	0.9500	C15B—H15E	0.9800
C339—C342	1.498 (17)	C15B—H15F	0.9800
C339—C338	1.340 (16)	O1B—H1BA	0.8400
C339—C340	1.391 (18)	O1B—C13B	1.42 (2)
C312—H312	0.9500	C13B—H13C	0.9900
C328—H328	0.9500	C13B—H13D	0.9900
C328—C329	1.368 (14)	C2—H2C	0.9900
C358—H358	0.9500	C2—H2D	0.9900
C365—H365	0.9500	C2—C3	1.531 (13)
C365—C364	1.365 (14)	C2—C18	1.532 (13)
C366—H366	0.9500	C3—H3C	0.9900
C364—H364	0.9500	C3—H3D	0.9900
C314—H314	0.9500	C3—C1	1.533 (13)
C353—H353	0.9500	C1—H1C	0.9900
C353—C354	1.413 (15)	C1—H1D	0.9900
C318—H318	0.9500	C1—C8	1.535 (13)
C368—H368	0.9500	C8—H8A	0.9900
C322—H322	0.9500	C8—H8B	0.9900
C322—C323	1.385 (14)	C8—C14	1.534 (13)
C332—H332	0.9500	C14—H14G	0.9900
C332—C333	1.393 (15)	C14—H14H	0.9900
C346—H346	0.9500	C14—C18	1.532 (13)
C346—C347	1.389 (16)	C18—H18A	0.9900
C356—H356	0.9500	C18—H18B	0.9900
C356—C355	1.380 (14)
I312—Zn36—I311	121.1 (4)	C3A—C2A—H2A	120.0
N317^i—Zn36—I312	112.8 (5)	C4A—C3A—H3A	120.0
N317^i—Zn36—I311	108.7 (4)	C2A—C3A—C4A	120.0
N317^i—Zn36—N324	102.1 (4)	C2A—C3A—H3A	120.0
N324—Zn36—I312	103.4 (4)	N312—C336—C335	123.5 (12)
N324—Zn36—I311	106.7 (4)	N312—C336—H336	118.3
I304—Zn32—I303	126.1 (4)	C335—C336—H336	118.3
N306—Zn32—I304	109.3 (5)	C339—C338—H338	120.3
N306—Zn32—I303	104.1 (5)	C339—C338—C337	119.4 (13)
N306—Zn32—N307	101.6 (5)	C337—C338—H338	120.3
N307—Zn32—I304	107.3 (5)	N311—C330—H330	116.3
N307—Zn32—I303	105.8 (5)	N311—C330—C331	127.3 (10)
I410—Zn45—I409	123.3 (6)	C331—C330—H330	116.3
N318—Zn45—I409	105.2 (6)	C327—C331—C330	114.9 (10)
N318—Zn45—I410	108.0 (6)	C327—C331—H331	122.6
N319—Zn45—I409	109.8 (6)	C330—C331—H331	122.6
N319—Zn45—I410	105.9 (6)	N311—C329—C328	122.1 (10)
N319—Zn45—N318	102.9 (6)	N311—C329—H329	119.0
I406—Zn43—I405	126.9 (5)	C328—C329—H329	119.0
N305^ii—Zn43—I406	110.3 (5)	N301—C301—H301	119.5
N305^ii—Zn43—I405	102.6 (5)	N301—C301—C302	121.1 (12)
N311—Zn43—I406	107.2 (5)	C302—C301—H301	119.5
N311—Zn43—I405	109.6 (5)	N313—C337—C338	120.9 (13)
N311—Zn43—N305^ii	96.0 (5)	N313—C337—H337	119.6
I402—Zn31—I401	117.8 (5)	C338—C337—H337	119.6
N323^iii—Zn31—I402	108.0 (6)	C8A—C7A—C4A	121.1 (10)
N323^iii—Zn31—I401	108.0 (6)	C8A—C7A—C12A	118.1 (12)
N323^iii—Zn31—N301	103.8 (6)	C12A—C7A—C4A	120.6 (11)
N301—Zn31—I402	114.8 (6)	N317—C347—C346	122.5 (11)
N301—Zn31—I401	103.4 (6)	N317—C347—H347	118.8
I308—Zn34—I307	121.82 (18)	C346—C347—H347	118.8
N312—Zn34—I307	109.4 (3)	C303—C302—C301	120.7 (12)
N312—Zn34—I308	107.4 (3)	C303—C302—H302	119.6
N313—Zn34—I307	105.0 (3)	C301—C302—H302	119.6
N313—Zn34—I308	109.5 (4)	C339—C340—H340	120.6
N313—Zn34—N312	101.9 (4)	C339—C340—C341	118.7 (13)
C362—N320—C360	114.0 (7)	C341—C340—H340	120.6
C360—N321—C361	115.0 (7)	C309—C310—H310	121.4
C308—N304—C307	113.2 (9)	C309—C310—C311	117.2 (14)
C343—N316—C344	112.4 (8)	C311—C310—H310	121.4
C325—N309—C324	114.8 (8)	N305—C311—C310	122.3 (13)
C362—N322—C361	114.3 (7)	N305—C311—H311	118.8
Zn36^iv—N317—Zn46^iv	3.7 (5)	N305—C311—Zn53^vi	51.7 (9)
Zn36^iv—N317—Zn56^iv	15.4 (11)	C310—C311—H311	118.8
C348—N317—Zn36^iv	121.4 (8)	C310—C311—Zn53^vi	173.9 (14)
C348—N317—Zn46^iv	124.5 (8)	N313—C341—C340	121.7 (14)
C348—N317—Zn56^iv	106.0 (14)	N313—C341—H341	119.2
C347—N317—Zn36^iv	119.9 (7)	C340—C341—H341	119.2
C347—N317—C348	118.4 (9)	O2A—C8A—C7A	114.5 (10)
C347—N317—Zn46^iv	117.0 (8)	O2A—C8A—C9A	124.9 (14)
C347—N317—Zn56^iv	135.2 (14)	C9A—C8A—C7A	120.6 (15)
C343—N315—C342	115.0 (8)	C7A—C12A—O3A	115.0 (11)
C324—N308—C326	115.0 (7)	C11A—C12A—O3A	124.0 (13)
C372—N324—Zn36	119.5 (7)	C11A—C12A—C7A	121.0 (15)
C372—N324—C368	118.7 (8)	C8A—C9A—H9A	119.9
C372—N324—Zn46	125.8 (8)	C10A—C9A—C8A	120.2 (16)
C372—N324—Zn56	112.5 (17)	C10A—C9A—H9A	119.9
C368—N324—Zn36	121.6 (7)	C9A—C10A—H10A	119.9
C368—N324—Zn46	115.3 (7)	C11A—C10A—C9A	120.3 (15)
C368—N324—Zn56	124.1 (19)	C11A—C10A—H10A	119.9
C325—N310—C326	113.8 (8)	C12A—C11A—H11A	120.1
C314—N306—Zn32	117.3 (7)	C10A—C11A—C12A	119.8 (16)
C314—N306—C318	117.4 (9)	C10A—C11A—H11A	120.1
C314—N306—Zn42	123.4 (8)	O3A—C15A—H15A	109.5
C318—N306—Zn32	125.2 (9)	O3A—C15A—H15B	109.5
C318—N306—Zn42	119.1 (9)	O3A—C15A—H15C	109.5
C308—N302—C306	114.8 (8)	H15A—C15A—H15B	109.5
Zn31^v—N323—Zn41^v	3.2 (4)	H15A—C15A—H15C	109.5
Zn31^v—N323—Zn51^v	22 (2)	H15B—C15A—H15C	109.5
C365—N323—Zn31^v	122.3 (8)	O1A—C13A—C5A	113.7 (12)
C365—N323—Zn41^v	119.2 (7)	O1A—C13A—H13A	108.8
C365—N323—Zn51^v	137 (2)	O1A—C13A—H13B	108.8
C366—N323—Zn31^v	118.9 (8)	C5A—C13A—H13A	108.8
C366—N323—C365	118.8 (8)	C5A—C13A—H13B	108.8
C366—N323—Zn41^v	122.0 (7)	H13A—C13A—H13B	107.7
C366—N323—Zn51^v	102 (2)	N318—C350—H350	119.9
Zn41^v—N323—Zn51^v	25 (2)	N318—C350—C351	120.2 (14)
C307—N303—C306	114.6 (9)	C351—C350—H350	119.9
N316—C343—C345	114.4 (9)	C352—C351—C350	120.3 (15)
N315—C343—N316	126.6 (8)	C352—C351—H351	119.9
N315—C343—C345	119.1 (8)	C350—C351—H351	119.9
C354—N318—Zn45	124.3 (10)	O2A—C14A—H14A	109.5
C354—N318—C350	118.7 (10)	O2A—C14A—H14B	109.5
C354—N318—Zn35	121.0 (10)	O2A—C14A—H14C	109.5
C354—N318—Zn55	112.6 (12)	H14A—C14A—H14B	109.5
C350—N318—Zn45	115.8 (8)	H14A—C14A—H14C	109.5
C312—N305—Zn43^vi	118.1 (10)	H14B—C14A—H14C	109.5
C312—N305—Zn33^vi	125.1 (10)	N306—Zn42—N307	102.2 (5)
C312—N305—Zn53^vi	143.4 (12)	N306—Zn42—I404	106.7 (5)
C311—N305—Zn43^vi	120.6 (9)	N306—Zn42—I403	109.8 (5)
C311—N305—C312	120.5 (11)	N307—Zn42—I404	104.0 (5)
C311—N305—Zn33^vi	113.6 (9)	N307—Zn42—I403	107.9 (5)
C311—N305—Zn53^vi	95.8 (10)	I403—Zn42—I404	124.1 (5)
C315—C316—C308	119.5 (10)	N318—Zn35—I309	107.3 (5)
C317—C316—C308	121.1 (8)	N318—Zn35—I310	106.1 (5)
C317—C316—C315	119.3 (10)	N319—Zn35—N318	103.0 (6)
C305—N301—Zn31	115.1 (10)	N319—Zn35—I309	107.4 (5)
C305—N301—C301	118.7 (12)	N319—Zn35—I310	105.0 (6)
C305—N301—Zn41	119.5 (10)	I310—Zn35—I309	125.8 (5)
C305—N301—Zn51	104.6 (19)	N317^i—Zn46—I411	104.1 (6)
C301—N301—Zn31	126.1 (9)	N317^i—Zn46—I412	104.3 (6)
C301—N301—Zn41	121.7 (9)	N324—Zn46—N317^i	94.9 (7)
C301—N301—Zn51	134.3 (19)	N324—Zn46—I411	110.1 (6)
C330—N311—Zn43	119.4 (8)	N324—Zn46—I412	105.6 (6)
C330—N311—C329	116.9 (9)	I412—Zn46—I411	131.5 (7)
C330—N311—Zn33	121.5 (8)	N305^ii—Zn33—N311	99.5 (5)
C330—N311—Zn53	122.7 (12)	N305^ii—Zn33—I305	106.9 (6)
C329—N311—Zn43	123.0 (7)	N305^ii—Zn33—I306	106.3 (6)
C329—N311—Zn33	121.7 (7)	N311—Zn33—I305	109.1 (5)
C329—N311—Zn53	118.2 (12)	N311—Zn33—I306	103.4 (6)
C332—N312—Zn34	127.0 (7)	I306—Zn33—I305	128.1 (5)
C332—N312—C336	117.8 (9)	N312—Zn44—I407	115.2 (5)
C332—N312—Zn44	112.8 (8)	N312—Zn44—I408	100.0 (5)
C336—N312—Zn34	115.2 (8)	N313—Zn44—N312	102.4 (5)
C336—N312—Zn44	129.3 (9)	N313—Zn44—I407	115.6 (6)
C359—N319—Zn45	120.5 (8)	N313—Zn44—I408	98.5 (5)
C359—N319—C355	118.0 (8)	I407—Zn44—I408	121.9 (4)
C359—N319—Zn35	123.3 (7)	N323^iii—Zn41—I301	110.1 (3)
C359—N319—Zn55	127.7 (10)	N323^iii—Zn41—I302	107.1 (3)
C355—N319—Zn45	121.4 (7)	N301—Zn41—N323^iii	101.2 (4)
C355—N319—Zn35	118.4 (7)	N301—Zn41—I301	108.0 (3)
C355—N319—Zn55	113.5 (11)	N301—Zn41—I302	106.9 (3)
N320—C360—C357	115.5 (7)	I301—Zn41—I302	121.68 (18)
N321—C360—N320	125.2 (7)	N318—Zn55—N319	94.8 (11)
N321—C360—C357	119.3 (7)	N318—Zn55—I509	109.1 (19)
C344—N314—C342	115.3 (9)	N318—Zn55—I510	112.4 (14)
C349—C345—C343	122.7 (8)	N319—Zn55—I509	102.3 (12)
C349—C345—C346	117.8 (10)	N319—Zn55—I510	103.8 (15)
C346—C345—C343	119.5 (10)	I509—Zn55—I510	128.2 (17)
N304—C307—C309	116.1 (10)	N317^i—Zn56—I511	101.6 (18)
N303—C307—N304	126.6 (9)	N324—Zn56—N317^i	89 (2)
N303—C307—C309	117.3 (9)	N324—Zn56—I511	96.6 (19)
C319—N307—Zn32	119.1 (7)	N324—Zn56—I512	116 (2)
C319—N307—Zn42	123.5 (8)	I512—Zn56—I511	111 (3)
C323—N307—Zn32	122.7 (7)	N305^ii—Zn53—N311	97.4 (14)
C323—N307—C319	118.1 (9)	N305^ii—Zn53—C311^ii	32.5 (8)
C323—N307—Zn42	117.8 (8)	N305^ii—Zn53—I505	124.3 (18)
N309—C324—C321	115.4 (8)	N305^ii—Zn53—I506	98.7 (14)
N308—C324—N309	125.3 (8)	N311—Zn53—C311^ii	103.0 (14)
N308—C324—C321	119.3 (8)	N311—Zn53—I505	118.3 (19)
N320—C362—C370	116.0 (7)	N311—Zn53—I506	87.3 (13)
N322—C362—N320	126.2 (7)	C311^ii—Zn53—I505	95.0 (12)
N322—C362—C370	117.8 (7)	C311^ii—Zn53—I506	130.5 (18)
C367—C363—C361	121.2 (7)	I506—Zn53—I505	122.6 (14)
C364—C363—C361	120.9 (8)	N323^iii—Zn51—N301	82 (2)
C364—C363—C367	117.9 (8)	N323^iii—Zn51—I502	114 (3)
N316—C344—C352	116.6 (9)	I502—Zn51—N301	117 (3)
N314—C344—N316	125.9 (8)	I501—Zn51—N301	88 (3)
N314—C344—C352	117.5 (9)	I501—Zn51—I502	136 (4)
N321—C361—C363	117.0 (7)	C5B—C4B—C3B	120.0
N322—C361—N321	125.0 (7)	C5B—C4B—C7B	119.2 (14)
N322—C361—C363	117.9 (7)	C3B—C4B—C7B	120.2 (14)
C313—C309—C307	121.4 (9)	C4B—C5B—C13B	120.2 (8)
C310—C309—C307	118.8 (12)	C6B—C5B—C4B	120.0
C310—C309—C313	119.7 (10)	C6B—C5B—C13B	119.7 (8)
C358—C357—C360	122.5 (8)	C5B—C6B—H6B	120.0
C358—C357—C356	118.2 (8)	C5B—C6B—C1B	120.0
C356—C357—C360	119.2 (8)	C1B—C6B—H6B	120.0
C369—C370—C362	120.8 (8)	C6B—C1B—H1B	120.0
C369—C370—C371	118.4 (8)	C2B—C1B—C6B	120.0
C371—C370—C362	120.8 (8)	C2B—C1B—H1B	120.0
C345—C349—H349	119.6	C1B—C2B—H2B	120.0
C345—C349—C348	120.9 (9)	C1B—C2B—C3B	120.0
C348—C349—H349	119.6	C3B—C2B—H2B	120.0
N304—C308—C316	116.6 (9)	C4B—C3B—H3B	120.0
N302—C308—N304	125.4 (8)	C2B—C3B—C4B	120.0
N302—C308—C316	118.0 (8)	C2B—C3B—H3B	120.0
C353—C352—C344	122.6 (9)	C12B—O3B—C15B	120 (3)
C353—C352—C351	116.2 (11)	C8B—C7B—C4B	118.4 (13)
C351—C352—C344	121.1 (12)	C8B—C7B—C12B	120.0
C337—N313—Zn34	123.7 (9)	C12B—C7B—C4B	120.1 (13)
C337—N313—Zn44	111.2 (9)	C9B—C8B—C7B	120.0
C341—N313—Zn34	116.2 (10)	O2B—C8B—C7B	119.6 (8)
C341—N313—C337	120.1 (12)	O2B—C8B—C9B	120.4 (8)
C341—N313—Zn44	128.3 (10)	C8B—C9B—H9B	120.0
C320—C321—C324	122.6 (9)	C8B—C9B—C10B	120.0
C320—C321—C322	118.0 (9)	C10B—C9B—H9B	120.0
C322—C321—C324	119.4 (9)	C9B—C10B—H10B	120.0
C12A—O3A—C15A	118.1 (16)	C9B—C10B—C11B	120.0
N309—C325—N310	125.6 (8)	C11B—C10B—H10B	120.0
N309—C325—C327	118.2 (8)	C10B—C11B—H11B	120.0
N310—C325—C327	116.2 (8)	C12B—C11B—C10B	120.0
C328—C327—C325	123.0 (9)	C12B—C11B—H11B	120.0
C328—C327—C331	119.0 (9)	O3B—C12B—C7B	119.8 (8)
C331—C327—C325	118.0 (9)	O3B—C12B—C11B	120.2 (8)
C335—C334—C326	120.9 (8)	C11B—C12B—C7B	120.0
C335—C334—C333	116.7 (9)	H4A—C4—H4B	108.0
C333—C334—C326	122.4 (9)	C5—C4—H4A	109.4
C316—C315—H315	121.8	C5—C4—H4B	109.4
C316—C315—C314	116.3 (12)	C10—C4—H4A	109.4
C314—C315—H315	121.8	C10—C4—H4B	109.4
C370—C369—H369	119.5	C10—C4—C5	111 (2)
C370—C369—C368	120.9 (8)	C4—C5—H5A	109.4
C368—C369—H369	119.5	C4—C5—H5B	109.4
C363—C367—H367	121.0	C4—C5—C6	111.3 (18)
C366—C367—C363	117.9 (9)	H5A—C5—H5B	108.0
C366—C367—H367	121.0	C6—C5—H5A	109.4
C304—C303—C306	119.2 (10)	C6—C5—H5B	109.4
C302—C303—C306	121.3 (10)	C5—C6—H6C	109.7
C302—C303—C304	119.5 (12)	C5—C6—H6D	109.7
C8A—O2A—C14A	116.0 (14)	C5—C6—C7	109.7 (18)
C370—C371—H371	120.3	H6C—C6—H6D	108.2
C372—C371—C370	119.4 (9)	C7—C6—H6C	109.7
C372—C371—H371	120.3	C7—C6—H6D	109.7
N308—C326—N310	125.1 (8)	C6—C7—H7A	109.6
N308—C326—C334	119.9 (8)	C6—C7—H7B	109.6
N310—C326—C334	114.9 (8)	H7A—C7—H7B	108.1
N317—C348—H348	119.5	C9—C7—C6	110.5 (18)
C349—C348—N317	121.0 (10)	C9—C7—H7A	109.6
C349—C348—H348	119.5	C9—C7—H7B	109.6
C316—C317—H317	120.2	C7—C9—H9C	109.3
C316—C317—C318	119.5 (10)	C7—C9—H9D	109.3
C318—C317—H317	120.2	H9C—C9—H9D	107.9
N319—C359—H359	118.6	C10—C9—C7	111.8 (18)
N319—C359—C358	122.8 (9)	C10—C9—H9C	109.3
C358—C359—H359	118.6	C10—C9—H9D	109.3
N302—C306—C303	117.0 (9)	C4—C10—C9	110.6 (18)
N303—C306—N302	125.3 (10)	C4—C10—H10C	109.5
N303—C306—C303	117.7 (9)	C4—C10—H10D	109.5
C309—C313—H313	120.8	C9—C10—H10C	109.5
C309—C313—C312	118.4 (10)	C9—C10—H10D	109.5
C312—C313—H313	120.8	H10C—C10—H10D	108.1
C321—C320—H320	119.0	H11C—C11—H11D	108.1
C321—C320—C319	122.0 (9)	C12—C11—H11C	109.6
C319—C320—H320	119.0	C12—C11—H11D	109.6
N324—C372—C371	122.4 (9)	C12—C11—C17	110 (2)
N324—C372—H372	118.8	C17—C11—H11C	109.6
C371—C372—H372	118.8	C17—C11—H11D	109.6
C338—C339—C342	121.7 (11)	C11—C12—H12A	109.4
C338—C339—C340	118.8 (12)	C11—C12—H12B	109.4
C340—C339—C342	119.5 (11)	C11—C12—C13	111.0 (18)
N315—C342—N314	124.7 (11)	H12A—C12—H12B	108.0
N315—C342—C339	117.7 (9)	C13—C12—H12A	109.4
N314—C342—C339	117.6 (10)	C13—C12—H12B	109.4
N305—C312—C313	121.4 (12)	C12—C13—H13E	109.4
N305—C312—H312	119.3	C12—C13—H13F	109.4
C313—C312—H312	119.3	H13E—C13—H13F	108.0
C327—C328—H328	120.1	C15—C13—C12	111.2 (19)
C329—C328—C327	119.8 (10)	C15—C13—H13E	109.4
C329—C328—H328	120.1	C15—C13—H13F	109.4
C357—C358—C359	119.8 (9)	C13—C15—H15G	109.6
C357—C358—H358	120.1	C13—C15—H15H	109.6
C359—C358—H358	120.1	C13—C15—C16	110.3 (19)
N323—C365—H365	118.5	H15G—C15—H15H	108.1
N323—C365—C364	123.0 (9)	C16—C15—H15G	109.6
C364—C365—H365	118.5	C16—C15—H15H	109.6
N323—C366—C367	122.8 (10)	C15—C16—H16A	109.6
N323—C366—H366	118.6	C15—C16—H16B	109.6
C367—C366—H366	118.6	C15—C16—C17	110.1 (19)
C363—C364—H364	120.2	H16A—C16—H16B	108.1
C365—C364—C363	119.5 (10)	C17—C16—H16A	109.6
C365—C364—H364	120.2	C17—C16—H16B	109.6
N306—C314—C315	124.7 (11)	C11—C17—C16	110.3 (19)
N306—C314—H314	117.7	C11—C17—H17A	109.6
C315—C314—H314	117.7	C11—C17—H17B	109.6
C352—C353—H353	118.8	C16—C17—H17A	109.6
C352—C353—C354	122.3 (11)	C16—C17—H17B	109.6
C354—C353—H353	118.8	H17A—C17—H17B	108.1
N306—C318—C317	122.2 (12)	C8B—O2B—C14B	119 (3)
N306—C318—H318	118.9	O2B—C14B—H14D	109.5
C317—C318—H318	118.9	O2B—C14B—H14E	109.5
N324—C368—C369	120.1 (9)	O2B—C14B—H14F	109.5
N324—C368—H368	119.9	H14D—C14B—H14E	109.5
C369—C368—H368	119.9	H14D—C14B—H14F	109.5
C321—C322—H322	121.0	H14E—C14B—H14F	109.5
C323—C322—C321	118.0 (10)	O3B—C15B—H15D	109.5
C323—C322—H322	121.0	O3B—C15B—H15E	109.5
N312—C332—H332	118.0	O3B—C15B—H15F	109.5
N312—C332—C333	124.0 (10)	H15D—C15B—H15E	109.5
C333—C332—H332	118.0	H15D—C15B—H15F	109.5
C345—C346—H346	120.4	H15E—C15B—H15F	109.5
C345—C346—C347	119.2 (12)	C13B—O1B—H1BA	109.5
C347—C346—H346	120.4	C5B—C13B—H13C	109.1
C357—C356—H356	121.5	C5B—C13B—H13D	109.1
C355—C356—C357	117.0 (9)	O1B—C13B—C5B	112 (3)
C355—C356—H356	121.5	O1B—C13B—H13C	109.1
N307—C319—C320	120.1 (10)	O1B—C13B—H13D	109.1
N307—C319—H319	120.0	H13C—C13B—H13D	107.9
C320—C319—H319	120.0	H2C—C2—H2D	108.0
C303—C304—H304	121.7	C3—C2—H2C	109.4
C303—C304—C305	116.7 (11)	C3—C2—H2D	109.4
C305—C304—H304	121.7	C3—C2—C18	111 (2)
C334—C335—H335	120.3	C18—C2—H2C	109.4
C334—C335—C336	119.5 (11)	C18—C2—H2D	109.4
C336—C335—H335	120.3	C2—C3—H3C	109.2
N307—C323—C322	123.7 (9)	C2—C3—H3D	109.2
N307—C323—H323	118.1	C2—C3—C1	111.8 (18)
C322—C323—H323	118.1	H3C—C3—H3D	107.9
C334—C333—C332	118.6 (11)	C1—C3—H3C	109.2
C334—C333—H333	120.7	C1—C3—H3D	109.2
C332—C333—H333	120.7	C3—C1—H1C	109.4
N318—C354—C353	120.2 (13)	C3—C1—H1D	109.4
N318—C354—H354	119.9	C3—C1—C8	111.3 (18)
C353—C354—H354	119.9	H1C—C1—H1D	108.0
N319—C355—C356	124.2 (9)	C8—C1—H1C	109.4
N319—C355—H355	117.9	C8—C1—H1D	109.4
C356—C355—H355	117.9	C1—C8—H8A	109.5
N301—C305—C304	123.3 (12)	C1—C8—H8B	109.5
N301—C305—H305	118.4	H8A—C8—H8B	108.1
C304—C305—H305	118.4	C14—C8—C1	110.6 (19)
C13A—O1A—H1A	109.5	C14—C8—H8A	109.5
C5A—C4A—C3A	120.0	C14—C8—H8B	109.5
C5A—C4A—C7A	121.5 (8)	C8—C14—H14G	109.3
C3A—C4A—C7A	118.4 (8)	C8—C14—H14H	109.3
C4A—C5A—C13A	118.3 (8)	H14G—C14—H14H	107.9
C6A—C5A—C4A	120.0	C18—C14—C8	111.7 (19)
C6A—C5A—C13A	121.7 (8)	C18—C14—H14G	109.3
C5A—C6A—H6A	120.0	C18—C14—H14H	109.3
C1A—C6A—C5A	120.0	C2—C18—H18A	109.2
C1A—C6A—H6A	120.0	C2—C18—H18B	109.2
C6A—C1A—H1AA	120.0	C14—C18—C2	112.0 (18)
C6A—C1A—C2A	120.0	C14—C18—H18A	109.2
C2A—C1A—H1AA	120.0	C14—C18—H18B	109.2
C1A—C2A—H2A	120.0	H18A—C18—H18B	107.9
C3A—C2A—C1A	120.0
Zn36^iv—N317—C348—C349	−172.5 (7)	C366—N323—C365—C364	1 (2)
Zn36^iv—N317—C347—C346	171.3 (11)	C364—C363—C361—N321	9.6 (15)
Zn36—N324—C372—C371	177.1 (10)	C364—C363—C361—N322	−167.7 (10)
Zn36—N324—C368—C369	−175.4 (10)	C364—C363—C367—C366	1.6 (17)
Zn32—N306—C314—C315	172.4 (9)	C314—N306—C318—C317	5.2 (18)
Zn32—N306—C318—C317	−172.6 (9)	C353—C352—C351—C350	7 (3)
Zn32—N307—C319—C320	174.0 (10)	C318—N306—C314—C315	−5.6 (17)
Zn32—N307—C323—C322	−175.7 (11)	C368—N324—C372—C371	2 (2)
Zn45—N318—C354—C353	−178.5 (10)	C322—C321—C320—C319	1 (2)
Zn45—N318—C350—C351	−173.8 (16)	C332—N312—C336—C335	−1 (2)
Zn45—N319—C359—C358	175.4 (10)	C346—C345—C349—C348	−5.4 (14)
Zn45—N319—C355—C356	−176.6 (13)	C356—C357—C358—C359	0.5 (17)
Zn43^vi—N305—C312—C313	−172.1 (8)	C319—N307—C323—C322	0 (2)
Zn43^vi—N305—C311—C310	172.9 (13)	C304—C303—C306—N302	18.7 (14)
Zn43—N311—C330—C331	168.2 (16)	C304—C303—C306—N303	−160.8 (11)
Zn43—N311—C329—C328	−168.2 (11)	C304—C303—C302—C301	2 (2)
Zn31^v—N323—C365—C364	−179.9 (11)	C335—C334—C326—N308	−175.0 (12)
Zn31^v—N323—C366—C367	178.2 (10)	C335—C334—C326—N310	8.1 (17)
Zn31—N301—C305—C304	−178.2 (13)	C335—C334—C333—C332	−0.5 (19)
Zn31—N301—C301—C302	177.0 (11)	C323—N307—C319—C320	−2 (2)
Zn34—N312—C332—C333	−179.2 (10)	C333—C334—C326—N308	6.2 (17)
Zn34—N312—C336—C335	179.7 (13)	C333—C334—C326—N310	−170.8 (11)
Zn34—N313—C337—C338	170.2 (12)	C333—C334—C335—C336	1 (2)
Zn34—N313—C341—C340	−175.1 (15)	C354—N318—C350—C351	18 (3)
N320—C360—C357—C358	6.3 (15)	C355—N319—C359—C358	−0.9 (19)
N320—C360—C357—C356	−176.1 (10)	C305—N301—C301—C302	0 (2)
N320—C362—C370—C369	−2.6 (14)	C4A—C5A—C6A—C1A	0.0
N320—C362—C370—C371	180.0 (10)	C4A—C5A—C13A—O1A	−162.3 (11)
N321—C360—C357—C358	−173.0 (10)	C4A—C7A—C8A—O2A	4 (2)
N321—C360—C357—C356	4.6 (16)	C4A—C7A—C8A—C9A	−178.3 (14)
N304—C307—C309—C313	−5.7 (13)	C4A—C7A—C12A—O3A	−4 (2)
N304—C307—C309—C310	176.7 (12)	C4A—C7A—C12A—C11A	177.3 (14)
N316—C343—C345—C349	−12.2 (12)	C5A—C4A—C3A—C2A	0.0
N316—C343—C345—C346	168.3 (10)	C5A—C4A—C7A—C8A	−73.3 (16)
N316—C344—C352—C353	−18.1 (15)	C5A—C4A—C7A—C12A	111.5 (13)
N316—C344—C352—C351	157.9 (14)	C5A—C6A—C1A—C2A	0.0
N309—C324—C321—C320	1.2 (18)	C6A—C5A—C13A—O1A	17 (2)
N309—C324—C321—C322	−177.5 (11)	C6A—C1A—C2A—C3A	0.0
N309—C325—C327—C328	0.9 (17)	C1A—C2A—C3A—C4A	0.0
N309—C325—C327—C331	180.0 (12)	C3A—C4A—C5A—C6A	0.0
N322—C362—C370—C369	176.8 (10)	C3A—C4A—C5A—C13A	179.7 (13)
N322—C362—C370—C371	−0.6 (15)	C3A—C4A—C7A—C8A	104.7 (14)
N315—C343—C345—C349	167.7 (9)	C3A—C4A—C7A—C12A	−70.6 (16)
N315—C343—C345—C346	−11.9 (14)	C336—N312—C332—C333	2 (2)
N308—C324—C321—C320	−178.3 (12)	C338—C339—C342—N315	16.3 (18)
N308—C324—C321—C322	3.0 (17)	C338—C339—C342—N314	−162.4 (13)
N310—C325—C327—C328	−179.5 (11)	C338—C339—C340—C341	−3 (3)
N310—C325—C327—C331	−0.4 (17)	C330—N311—C329—C328	2 (2)
N323—C365—C364—C363	2 (2)	C331—C327—C328—C329	2 (2)
N303—C307—C309—C313	173.7 (9)	C329—N311—C330—C331	−2 (3)
N303—C307—C309—C310	−3.9 (15)	C301—N301—C305—C304	−1 (2)
C343—N316—C344—N314	2.9 (14)	C337—N313—C341—C340	3 (3)
C343—N316—C344—C352	−175.7 (8)	C7A—C4A—C5A—C6A	177.9 (10)
C343—N315—C342—N314	−0.4 (16)	C7A—C4A—C5A—C13A	−2.4 (13)
C343—N315—C342—C339	−179.0 (9)	C7A—C4A—C3A—C2A	−178.0 (9)
C343—C345—C349—C348	175.1 (8)	C7A—C8A—C9A—C10A	3 (3)
C343—C345—C346—C347	−176.4 (11)	C7A—C12A—C11A—C10A	−1 (3)
N318—C350—C351—C352	−16 (3)	C347—N317—C348—C349	1.1 (14)
C316—C315—C314—N306	−0.2 (17)	C302—C303—C306—N302	−159.3 (10)
C316—C317—C318—N306	0.9 (19)	C302—C303—C306—N303	21.2 (14)
N301—C301—C302—C303	−1 (2)	C302—C303—C304—C305	−2 (2)
N311—C330—C331—C327	3 (3)	C340—C339—C342—N315	−166.4 (13)
N312—C332—C333—C334	−1 (2)	C340—C339—C342—N314	14.9 (19)
N319—C359—C358—C357	0.8 (18)	C340—C339—C338—C337	−1 (2)
C360—N320—C362—N322	0.5 (14)	C310—C309—C313—C312	−5.7 (16)
C360—N320—C362—C370	179.8 (8)	C311—N305—C312—C313	−2.3 (17)
C360—N321—C361—N322	4.0 (15)	C341—N313—C337—C338	−8 (3)
C360—N321—C361—C363	−173.0 (9)	C8A—C7A—C12A—O3A	−179.3 (14)
C360—C357—C358—C359	178.1 (10)	C8A—C7A—C12A—C11A	2 (2)
C360—C357—C356—C355	−179.2 (12)	C8A—C9A—C10A—C11A	−1 (3)
N314—C344—C352—C353	163.2 (11)	C12A—C7A—C8A—O2A	179.5 (14)
N314—C344—C352—C351	−20.8 (18)	C12A—C7A—C8A—C9A	−3 (2)
C345—C349—C348—N317	2.9 (14)	C9A—C10A—C11A—C12A	0 (3)
C345—C346—C347—N317	0 (2)	C15A—O3A—C12A—C7A	−172.5 (15)
C307—N304—C308—N302	3.2 (12)	C15A—O3A—C12A—C11A	6 (2)
C307—N304—C308—C316	−177.0 (7)	C13A—C5A—C6A—C1A	−179.7 (13)
C307—N303—C306—N302	0.9 (13)	C350—N318—C354—C353	−11 (2)
C307—N303—C306—C303	−179.6 (8)	C351—C352—C353—C354	0 (2)
C307—C309—C313—C312	176.7 (9)	C14A—O2A—C8A—C7A	−179.3 (19)
C307—C309—C310—C311	−175.8 (13)	C14A—O2A—C8A—C9A	3 (3)
C324—N309—C325—N310	0.6 (16)	Zn42—N306—C314—C315	171.7 (9)
C324—N309—C325—C327	−179.8 (10)	Zn42—N306—C318—C317	−172.2 (10)
C324—N308—C326—N310	1.9 (16)	Zn42—N307—C319—C320	169.1 (10)
C324—N308—C326—C334	−174.7 (10)	Zn42—N307—C323—C322	−171.4 (12)
C324—C321—C320—C319	−177.4 (12)	Zn35—N318—C354—C353	−177.4 (10)
C324—C321—C322—C323	175.8 (12)	Zn35—N319—C359—C358	173.0 (9)
C362—N320—C360—N321	−3.0 (14)	Zn35—N319—C355—C356	−174.5 (13)
C362—N320—C360—C357	177.7 (8)	Zn46^iv—N317—C348—C349	−174.8 (7)
C362—N322—C361—N321	−6.2 (14)	Zn46^iv—N317—C347—C346	173.8 (12)
C362—N322—C361—C363	170.9 (9)	Zn46—N324—C372—C371	175.8 (11)
C362—C370—C369—C368	−177.3 (11)	Zn46—N324—C368—C369	−174.9 (11)
C362—C370—C371—C372	178.8 (11)	Zn33^vi—N305—C312—C313	−171.3 (8)
C363—C367—C366—N323	1.4 (19)	Zn33^vi—N305—C311—C310	173.6 (14)
C344—N316—C343—N315	−4.4 (13)	Zn33—N311—C330—C331	176.6 (16)
C344—N316—C343—C345	175.4 (7)	Zn33—N311—C329—C328	−176.9 (11)
C344—N314—C342—N315	−0.9 (17)	Zn44—N312—C332—C333	177.8 (11)
C344—N314—C342—C339	177.7 (10)	Zn44—N312—C336—C335	−176.5 (12)
C344—C352—C353—C354	176.1 (11)	Zn44—N313—C337—C338	178.8 (13)
C344—C352—C351—C350	−169.7 (17)	Zn44—N313—C341—C340	175.2 (14)
C361—N321—C360—N320	0.9 (14)	Zn41^v—N323—C365—C364	179.2 (11)
C361—N321—C360—C357	−179.8 (9)	Zn41^v—N323—C366—C367	179.2 (9)
C361—N322—C362—N320	3.7 (14)	Zn41—N301—C305—C304	−177.6 (12)
C361—N322—C362—C370	−175.6 (8)	Zn41—N301—C301—C302	176.7 (10)
C361—C363—C367—C366	−177.5 (10)	Zn55—N318—C354—C353	177.5 (13)
C361—C363—C364—C365	176.0 (11)	Zn55—N319—C359—C358	167.9 (14)
C309—C313—C312—N305	3.5 (15)	Zn55—N319—C355—C356	−170.6 (16)
C309—C310—C311—N305	−6 (3)	Zn56^iv—N317—C348—C349	−172.6 (15)
C357—C356—C355—N319	2 (2)	Zn56^iv—N317—C347—C346	169 (2)
C370—C369—C368—N324	−1 (2)	Zn56—N324—C372—C371	158 (2)
C370—C371—C372—N324	−2 (2)	Zn56—N324—C368—C369	−153.9 (18)
C349—C345—C346—C347	4.0 (18)	Zn53^vi—N305—C312—C313	−174 (2)
C308—N304—C307—N303	−3.8 (13)	Zn53^vi—N305—C311—C310	178 (2)
C308—N304—C307—C309	175.6 (7)	Zn53—N311—C330—C331	−164.5 (17)
C308—N302—C306—N303	−1.4 (13)	Zn53—N311—C329—C328	165.0 (13)
C308—N302—C306—C303	179.2 (7)	Zn51^v—N323—C365—C364	−159 (3)
C308—C316—C315—C314	−176.8 (9)	Zn51^v—N323—C366—C367	164 (2)
C308—C316—C317—C318	176.4 (10)	Zn51—N301—C305—C304	−166 (2)
C352—C353—C354—N318	2 (2)	Zn51—N301—C301—C302	160 (2)
C321—C320—C319—N307	1 (2)	C4B—C5B—C6B—C1B	0.0
C321—C322—C323—N307	2 (2)	C4B—C5B—C13B—O1B	56 (6)
O3A—C12A—C11A—C10A	−179.4 (15)	C4B—C7B—C8B—C9B	−166 (3)
C325—N309—C324—N308	−4.9 (16)	C4B—C7B—C8B—O2B	12 (4)
C325—N309—C324—C321	175.6 (10)	C4B—C7B—C12B—O3B	−13 (3)
C325—N310—C326—N308	−5.5 (16)	C4B—C7B—C12B—C11B	166 (3)
C325—N310—C326—C334	171.2 (10)	C5B—C4B—C3B—C2B	0.0
C325—C327—C328—C329	−178.6 (12)	C5B—C4B—C7B—C8B	88 (2)
C325—C327—C331—C330	178.4 (14)	C5B—C4B—C7B—C12B	−78 (2)
C327—C328—C329—N311	−2 (2)	C5B—C6B—C1B—C2B	0.0
C334—C335—C336—N312	0 (2)	C6B—C5B—C13B—O1B	−127 (5)
C315—C316—C308—N304	−173.9 (8)	C6B—C1B—C2B—C3B	0.0
C315—C316—C308—N302	5.9 (13)	C1B—C2B—C3B—C4B	0.0
C315—C316—C317—C318	−6.8 (16)	C3B—C4B—C5B—C6B	0.0
C369—C370—C371—C372	1.3 (18)	C3B—C4B—C5B—C13B	177 (2)
C367—C363—C361—N321	−171.3 (10)	C3B—C4B—C7B—C8B	−100 (2)
C367—C363—C361—N322	11.4 (15)	C3B—C4B—C7B—C12B	94 (2)
C367—C363—C364—C365	−3.1 (18)	C7B—C4B—C5B—C6B	172 (2)
C303—C304—C305—N301	2 (2)	C7B—C4B—C5B—C13B	−11 (3)
O2A—C8A—C9A—C10A	180.0 (16)	C7B—C4B—C3B—C2B	−172 (2)
C371—C370—C369—C368	0.1 (18)	C7B—C8B—C9B—C10B	0.0
C326—N308—C324—N309	3.7 (16)	C7B—C8B—O2B—C14B	−177 (6)
C326—N308—C324—C321	−176.8 (10)	C8B—C7B—C12B—O3B	−179 (3)
C326—N310—C325—N309	4.1 (16)	C8B—C7B—C12B—C11B	0.0
C326—N310—C325—C327	−175.4 (10)	C8B—C9B—C10B—C11B	0.0
C326—C334—C335—C336	−177.8 (13)	C9B—C8B—O2B—C14B	2 (6)
C326—C334—C333—C332	178.4 (11)	C9B—C10B—C11B—C12B	0.0
C348—N317—C347—C346	−2 (2)	C10B—C11B—C12B—O3B	179 (3)
C317—C316—C308—N304	2.9 (13)	C10B—C11B—C12B—C7B	0.0
C317—C316—C308—N302	−177.3 (9)	C12B—C7B—C8B—C9B	0.0
C317—C316—C315—C314	6.4 (15)	C12B—C7B—C8B—O2B	178 (2)
C359—N319—C355—C356	0 (2)	C4—C5—C6—C7	58 (4)
C306—N302—C308—N304	−0.9 (12)	C5—C4—C10—C9	55 (4)
C306—N302—C308—C316	179.3 (7)	C5—C6—C7—C9	−57 (4)
C306—N303—C307—N304	1.9 (13)	C6—C7—C9—C10	57 (4)
C306—N303—C307—C309	−177.4 (8)	C7—C9—C10—C4	−55 (4)
C306—C303—C304—C305	179.8 (12)	C10—C4—C5—C6	−57 (4)
C306—C303—C302—C301	179.5 (11)	C11—C12—C13—C15	56 (4)
C313—C309—C310—C311	7 (2)	C12—C11—C17—C16	58 (4)
C320—C321—C322—C323	−3 (2)	C12—C13—C15—C16	−56 (4)
C372—N324—C368—C369	0.0 (19)	C13—C15—C16—C17	58 (4)
C339—C338—C337—N313	7 (3)	C15—C16—C17—C11	−59 (4)
C339—C340—C341—N313	3 (3)	C17—C11—C12—C13	−57 (5)
C342—N315—C343—N316	3.3 (14)	O2B—C8B—C9B—C10B	−178 (3)
C342—N315—C343—C345	−176.5 (9)	C15B—O3B—C12B—C7B	170 (5)
C342—N314—C344—N316	−0.5 (15)	C15B—O3B—C12B—C11B	−9 (6)
C342—N314—C344—C352	178.1 (9)	C13B—C5B—C6B—C1B	−177 (2)
C342—C339—C338—C337	176.2 (14)	C2—C3—C1—C8	56 (4)
C342—C339—C340—C341	179.3 (15)	C3—C2—C18—C14	54 (4)
C312—N305—C311—C310	3 (2)	C3—C1—C8—C14	−56 (4)
C312—N305—C311—Zn53^vi	−174.9 (19)	C1—C8—C14—C18	55 (4)
C328—C327—C331—C330	−2 (2)	C8—C14—C18—C2	−55 (4)
C358—C357—C356—C355	−1.5 (19)	C18—C2—C3—C1	−54 (4)
C365—N323—C366—C367	−2.6 (19)

Symmetry codes: (i) x+1/2, −y, z+1/2; (ii) x+1/2, −y+1, z+1/2; (iii) x, y+1, z−1; (iv) x−1/2, −y, z−1/2; (v) x, y−1, z+1; (vi) x−1/2, −y+1, z−1/2.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (50_5_96b)

Crystal data

C72H48I12N24Zn6·0.7(C15H16O3)	F(000) = 6220
Mr = 3335.39	Dx = 1.386 Mg m^−3
Monoclinic, P2/n	Cu Kα radiation, λ = 1.54184 Å
a = 31.6622 (7) Å	Cell parameters from 15885 reflections
b = 15.0003 (2) Å	θ = 2.8–74.0°
c = 34.4418 (8) Å	µ = 19.48 mm^−1
β = 102.214 (2)°	T = 100 K
V = 15987.6 (6) Å^3	Block, light yellow
Z = 4	0.22 × 0.14 × 0.11 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	29162 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	21798 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.073
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 1.7°
profile data from ω–scans	h = −37→38
Absorption correction: analytical CrysAlisPro 1.171.41.89a (Rigaku Oxford Diffraction, 2020) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −8→18
Tmin = 0.107, Tmax = 0.309	l = −40→41
103356 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.143	H-atom parameters constrained
wR(F^2) = 0.454	w = 1/[σ^2(Fo^2) + (0.2455P)^2 + 405.670P] where P = (Fo^2 + 2Fc^2)/3
S = 1.04	(Δ/σ)max = 0.002
29162 reflections	Δρmax = 1.58 e Å^−3
1363 parameters	Δρmin = −1.52 e Å^−3
1310 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I306	0.58681 (16)	0.0056 (4)	0.3498 (4)	0.0790 (19)	0.75 (4)
I404	0.7794 (5)	0.4539 (11)	0.0934 (7)	0.190 (12)	0.29 (3)
I311	0.8851 (5)	0.6137 (9)	1.2378 (5)	0.115 (4)	0.53 (4)
I403	0.6706 (7)	0.4547 (13)	−0.0074 (4)	0.201 (13)	0.29 (3)
I307	0.70368 (12)	0.9809 (3)	0.50962 (14)	0.0709 (12)	0.624 (17)
I310	0.6036 (3)	0.5066 (5)	0.8656 (3)	0.0867 (15)	0.5434
I312	0.9320 (6)	0.5223 (12)	1.1356 (7)	0.155 (5)	0.53 (4)
I308	0.80039 (13)	0.9038 (3)	0.61696 (16)	0.0845 (14)	0.624 (17)
I309	0.4992 (3)	0.6736 (9)	0.9008 (4)	0.0966 (19)	0.5434
I305	0.4870 (2)	0.1649 (8)	0.3949 (3)	0.0988 (18)	0.75 (4)
I302	0.3597 (3)	0.8922 (6)	0.2282 (3)	0.0843 (16)	0.5659
I301	0.4308 (2)	0.9973 (3)	0.13706 (18)	0.0857 (14)	0.5659
Zn36	0.9078 (7)	0.6426 (16)	1.1756 (7)	0.094 (5)	0.53 (4)
Zn33	0.5544 (3)	0.1517 (8)	0.3667 (4)	0.063 (2)	0.75 (4)
Zn42	0.7048 (5)	0.4012 (13)	0.0614 (5)	0.119 (8)	0.29 (3)
Zn35	0.5704 (3)	0.6538 (7)	0.8793 (3)	0.064 (3)	0.5434
Zn31	0.3954 (4)	0.8741 (8)	0.1703 (4)	0.064 (2)	0.5659
Zn34	0.72683 (19)	0.8858 (4)	0.5714 (2)	0.0646 (15)	0.624 (17)
N320	0.7304 (4)	0.8114 (8)	1.0391 (4)	0.048 (3)
N302	0.5167 (5)	0.4831 (9)	0.2215 (5)	0.057 (3)
N323	0.7097 (6)	1.2665 (10)	1.0599 (5)	0.067 (4)
N301	0.4411 (5)	0.7750 (11)	0.1797 (5)	0.070 (3)
N304	0.5731 (5)	0.4009 (10)	0.2011 (4)	0.057 (3)
N316	0.5380 (5)	0.9741 (9)	0.7293 (4)	0.054 (3)
N317	0.4575 (5)	1.2556 (10)	0.6861 (5)	0.061 (3)
C345	0.5143 (6)	1.1137 (11)	0.6957 (5)	0.055 (3)
N315	0.5681 (5)	1.0240 (10)	0.6745 (5)	0.061 (3)
N318	0.5675 (5)	0.7338 (11)	0.8300 (4)	0.063 (3)
N322	0.7493 (4)	0.9413 (8)	1.0766 (4)	0.049 (3)
N321	0.6897 (5)	0.9433 (9)	1.0209 (4)	0.054 (3)
C352	0.5663 (6)	0.8462 (13)	0.7659 (6)	0.063 (4)
N308	0.6887 (5)	0.4363 (10)	0.5046 (5)	0.064 (4)
C316	0.5449 (6)	0.3494 (11)	0.2568 (5)	0.055 (3)
N310	0.7457 (5)	0.4250 (10)	0.5611 (5)	0.062 (4)
C308	0.5453 (5)	0.4142 (11)	0.2238 (5)	0.054 (3)
N309	0.7243 (5)	0.2986 (9)	0.5202 (5)	0.061 (4)
C362	0.7538 (5)	0.8563 (9)	1.0686 (5)	0.043 (3)
C349	0.4918 (6)	1.1361 (12)	0.7248 (6)	0.059 (3)
H349	0.496606	1.102809	0.748738	0.071*
C363	0.7130 (5)	1.0818 (10)	1.0549 (5)	0.052 (4)
N324	0.8598 (5)	0.7181 (9)	1.1393 (5)	0.071 (4)
C306	0.5204 (6)	0.5405 (10)	0.1917 (5)	0.055 (3)
N312	0.7200 (6)	0.7526 (10)	0.5564 (6)	0.072 (4)
C334	0.7172 (6)	0.5673 (11)	0.5431 (6)	0.060 (4)
C326	0.7163 (6)	0.4703 (11)	0.5353 (5)	0.053 (4)
C303	0.4944 (6)	0.6254 (12)	0.1883 (6)	0.062 (4)
N306	0.5457 (5)	0.2326 (11)	0.3187 (5)	0.066 (3)
C324	0.6944 (6)	0.3472 (11)	0.4996 (6)	0.060 (4)
C366	0.7323 (6)	1.2179 (12)	1.0887 (6)	0.061 (4)
H366	0.747035	1.248148	1.111829	0.074*
C317	0.5687 (6)	0.2722 (13)	0.2594 (6)	0.063 (4)
H317	0.584369	0.257448	0.239611	0.075*
C361	0.7173 (5)	0.9829 (10)	1.0509 (5)	0.045 (3)
C367	0.7362 (6)	1.1293 (12)	1.0878 (6)	0.064 (5)
H367	0.754374	1.098833	1.109197	0.076*
C318	0.5692 (6)	0.2170 (14)	0.2911 (6)	0.066 (4)
H318	0.586897	0.165295	0.293742	0.079*
C344	0.5668 (6)	0.9045 (11)	0.7325 (5)	0.057 (3)
C327	0.7841 (6)	0.2864 (12)	0.5767 (6)	0.062 (4)
N305	0.6600 (6)	0.4218 (10)	0.0963 (5)	0.070 (3)
N303	0.5477 (5)	0.5335 (10)	0.1667 (5)	0.062 (3)
N319	0.6145 (6)	0.7193 (9)	0.9224 (4)	0.068 (4)
C370	0.7905 (5)	0.8060 (10)	1.0939 (5)	0.055 (4)
C302	0.4945 (9)	0.6835 (16)	0.1601 (8)	0.087 (6)
H302	0.513235	0.674891	0.142142	0.104*
C356	0.6326 (8)	0.8491 (12)	0.9621 (7)	0.087 (8)
H356	0.626049	0.909400	0.966896	0.104*
N307	0.6026 (6)	0.2208 (11)	0.4078 (5)	0.076 (4)
N311	0.8503 (6)	0.1914 (10)	0.6253 (6)	0.077 (5)
C304	0.4690 (7)	0.6426 (13)	0.2159 (6)	0.069 (4)
H304	0.469900	0.604353	0.238008	0.083*
N314	0.5950 (6)	0.8933 (10)	0.7107 (5)	0.068 (4)
C307	0.5725 (6)	0.4618 (12)	0.1732 (5)	0.058 (3)
C348	0.4631 (6)	1.2046 (12)	0.7198 (5)	0.059 (3)
H348	0.446951	1.216978	0.739477	0.071*
C305	0.4412 (6)	0.7200 (12)	0.2100 (6)	0.066 (4)
H305	0.422905	0.731686	0.227978	0.079*
C372	0.8511 (7)	0.8036 (12)	1.1480 (7)	0.071 (5)
H372	0.868770	0.831354	1.170493	0.085*
C355	0.6066 (8)	0.8014 (14)	0.9322 (7)	0.088 (7)
H355	0.581187	0.829477	0.917716	0.105*
C371	0.8184 (7)	0.8505 (12)	1.1259 (6)	0.069 (5)
H371	0.814023	0.911394	1.131459	0.083*
C358	0.6787 (7)	0.7228 (12)	0.9747 (5)	0.064 (5)
H358	0.703807	0.693047	0.988686	0.076*
C360	0.6978 (5)	0.8578 (11)	1.0167 (5)	0.050 (3)
C313	0.6371 (8)	0.3942 (15)	0.1553 (8)	0.085 (7)
H313	0.641928	0.362235	0.179688	0.102*
C320	0.6665 (7)	0.2151 (12)	0.4578 (6)	0.072 (5)
H320	0.689840	0.181277	0.472525	0.087*
C359	0.6508 (7)	0.6835 (11)	0.9433 (6)	0.067 (5)
H359	0.658022	0.625413	0.935873	0.081*
C333	0.6924 (8)	0.6271 (13)	0.5159 (7)	0.073 (5)
H333	0.674184	0.605424	0.492286	0.088*
N313	0.6794 (8)	0.9048 (13)	0.6034 (6)	0.089 (5)
C343	0.5415 (6)	1.0323 (11)	0.6995 (5)	0.055 (3)
C357	0.6681 (6)	0.8084 (11)	0.9847 (5)	0.057 (4)
C368	0.8342 (7)	0.6764 (11)	1.1087 (7)	0.080 (7)
H368	0.840417	0.616698	1.102620	0.096*
C369	0.7984 (6)	0.7199 (12)	1.0856 (6)	0.071 (6)
H369	0.779836	0.689592	1.064447	0.085*
C335	0.7420 (8)	0.6040 (12)	0.5751 (7)	0.076 (6)
H335	0.760326	0.566630	0.593628	0.092*
C319	0.6376 (8)	0.1735 (13)	0.4293 (6)	0.077 (6)
H319	0.641030	0.112159	0.423913	0.092*
C328	0.7902 (7)	0.1988 (13)	0.5701 (7)	0.074 (6)
H328	0.772361	0.169703	0.548122	0.088*
C365	0.6871 (7)	1.2201 (12)	1.0269 (6)	0.074 (6)
H365	0.670303	1.252417	1.005327	0.088*
C309	0.6029 (7)	0.4483 (13)	0.1456 (6)	0.065 (4)
C314	0.5195 (9)	0.3027 (15)	0.3147 (7)	0.085 (7)
H314	0.501595	0.312164	0.333267	0.102*
C323	0.6001 (8)	0.3044 (13)	0.4138 (7)	0.087 (7)
H323	0.576821	0.336546	0.398085	0.105*
C337	0.6446 (10)	0.958 (2)	0.5922 (8)	0.099 (8)
H337	0.637678	0.980453	0.565813	0.119*
C364	0.6886 (8)	1.1306 (12)	1.0249 (6)	0.074 (6)
H364	0.672425	1.100922	1.002168	0.089*
C315	0.5181 (8)	0.3632 (15)	0.2832 (6)	0.076 (5)
H315	0.499088	0.412778	0.280160	0.092*
C332	0.6948 (7)	0.7184 (13)	0.5240 (7)	0.069 (5)
H332	0.677792	0.757854	0.505489	0.082*
C322	0.6300 (7)	0.3516 (13)	0.4425 (7)	0.087 (8)
H322	0.627321	0.414147	0.445628	0.104*
C321	0.6639 (7)	0.3038 (12)	0.4665 (6)	0.068 (5)
C342	0.5942 (7)	0.9539 (13)	0.6812 (6)	0.066 (4)
C325	0.7490 (6)	0.3372 (11)	0.5508 (5)	0.060 (4)
C336	0.7420 (10)	0.6987 (14)	0.5826 (7)	0.094 (8)
H336	0.758173	0.721738	0.606964	0.113*
C330	0.8433 (9)	0.2780 (14)	0.6296 (9)	0.113 (11)
H330	0.863831	0.308403	0.649317	0.136*
C339	0.6228 (7)	0.9403 (15)	0.6532 (6)	0.071 (4)
C311	0.6244 (8)	0.4742 (18)	0.0850 (8)	0.086 (6)
H311	0.619176	0.502570	0.059740	0.103*
C312	0.6650 (9)	0.3847 (17)	0.1307 (8)	0.093 (7)
H312	0.689842	0.348469	0.139306	0.111*
C301	0.4663 (9)	0.7615 (16)	0.1557 (8)	0.088 (6)
H301	0.466655	0.802759	0.134828	0.106*
C353	0.5344 (8)	0.8411 (19)	0.7839 (8)	0.094 (8)
H353	0.509343	0.876057	0.774350	0.113*
C331	0.8100 (10)	0.3285 (14)	0.6089 (8)	0.113 (11)
H331	0.805024	0.388090	0.616068	0.135*
C310	0.5961 (8)	0.4866 (16)	0.1092 (6)	0.077 (5)
H310	0.571174	0.522634	0.100506	0.092*
C347	0.4800 (8)	1.2388 (15)	0.6608 (7)	0.079 (5)
H347	0.477643	1.278280	0.638830	0.095*
C354	0.5355 (8)	0.7850 (16)	0.8174 (7)	0.082 (6)
H354	0.512014	0.785737	0.830488	0.099*
C338	0.6188 (10)	0.980 (2)	0.6189 (9)	0.108 (10)
H338	0.597602	1.025018	0.611815	0.130*
C346	0.5082 (7)	1.1659 (14)	0.6627 (6)	0.071 (5)
H346	0.522563	1.153472	0.641698	0.085*
C341	0.6850 (10)	0.863 (2)	0.6382 (9)	0.102 (9)
H341	0.708838	0.823915	0.645438	0.122*
C329	0.8232 (7)	0.1504 (13)	0.5959 (7)	0.076 (6)
H329	0.825890	0.088148	0.592093	0.092*
C350	0.6036 (11)	0.746 (3)	0.8147 (11)	0.138 (15)
H350	0.630085	0.720697	0.828490	0.165*
C340	0.6583 (9)	0.8752 (19)	0.6640 (8)	0.094 (8)
H340	0.662425	0.842666	0.688195	0.113*
C351	0.6033 (10)	0.793 (2)	0.7803 (10)	0.124 (13)
H351	0.626619	0.790053	0.766904	0.149*
I406	0.5820 (11)	0.0086 (14)	0.3624 (10)	0.110 (7)	0.25 (4)
Zn43	0.5511 (15)	0.160 (3)	0.3749 (13)	0.081 (6)	0.25 (4)
I405	0.4838 (11)	0.188 (3)	0.4022 (12)	0.128 (7)	0.25 (4)
I412	0.9384 (2)	0.5376 (6)	1.1273 (3)	0.085 (3)	0.47 (4)
Zn46	0.9111 (6)	0.6502 (16)	1.1739 (7)	0.061 (3)	0.47 (4)
I411	0.8793 (6)	0.6105 (9)	1.2353 (5)	0.098 (3)	0.47 (4)
Zn45	0.5745 (4)	0.6500 (8)	0.8780 (3)	0.087 (5)	0.434
I410	0.6124 (5)	0.5130 (7)	0.8597 (5)	0.160 (7)	0.434
I409	0.5025 (5)	0.6489 (13)	0.8989 (5)	0.147 (7)	0.434
I1	0.578 (3)	0.512 (5)	0.880 (2)	0.080*	0.0226
I2	0.481 (3)	0.702 (6)	0.912 (2)	0.080*	0.0226
Zn55	0.551 (4)	0.666 (6)	0.892 (5)	0.080*	0.0226
C3A	0.8243 (5)	0.1726 (10)	0.1781 (4)	0.058 (6)	0.7001
H3A	0.828138	0.129459	0.158997	0.069*	0.7001
C2A	0.8231 (5)	0.2627 (11)	0.1686 (4)	0.071 (7)	0.7001
H2A	0.826158	0.281222	0.142992	0.085*	0.7001
C1A	0.8175 (5)	0.3259 (7)	0.1967 (6)	0.069 (7)	0.7001
H1A	0.816682	0.387465	0.190163	0.083*	0.7001
C6A	0.8130 (5)	0.2988 (9)	0.2342 (5)	0.074 (8)	0.7001
H6A	0.809186	0.341945	0.253339	0.089*	0.7001
C5A	0.8142 (6)	0.2087 (10)	0.2437 (4)	0.065 (6)	0.7001
C4A	0.8198 (6)	0.1456 (7)	0.2157 (5)	0.055 (5)	0.7001
O2A	0.7535 (7)	0.0305 (14)	0.1849 (6)	0.083 (6)	0.7001
O3A	0.8913 (6)	0.0732 (13)	0.2663 (6)	0.072 (5)	0.7001
C7A	0.8223 (7)	0.0481 (12)	0.2260 (7)	0.058 (5)	0.7001
C8A	0.7889 (7)	−0.0095 (13)	0.2088 (8)	0.071 (7)	0.7001
O1A	0.7914 (6)	0.2416 (14)	0.3056 (6)	0.083 (6)	0.7001
H1AA	0.764673	0.232799	0.302023	0.124*	0.7001
C13A	0.8098 (11)	0.1780 (15)	0.2845 (7)	0.075 (8)	0.7001
H13A	0.791742	0.123525	0.281601	0.091*	0.7001
H13B	0.838749	0.162045	0.300152	0.091*	0.7001
C11A	0.8625 (9)	−0.0786 (13)	0.2572 (8)	0.078 (8)	0.7001
H11A	0.888022	−0.102385	0.273475	0.094*	0.7001
C9A	0.7921 (9)	−0.1000 (13)	0.2172 (8)	0.081 (8)	0.7001
H9A	0.768716	−0.138446	0.206507	0.097*	0.7001
C10A	0.8289 (9)	−0.1346 (15)	0.2409 (8)	0.088 (8)	0.7001
H10A	0.831235	−0.196838	0.245953	0.105*	0.7001
C12A	0.8593 (7)	0.0128 (12)	0.2499 (8)	0.070 (6)	0.7001
C14A	0.7176 (11)	−0.025 (3)	0.1710 (11)	0.097 (12)	0.7001
H14A	0.724118	−0.065445	0.150714	0.145*	0.7001
H14B	0.692526	0.011879	0.159374	0.145*	0.7001
H14C	0.711211	−0.059632	0.193127	0.145*	0.7001
C15A	0.9285 (9)	0.038 (2)	0.2918 (13)	0.114 (14)	0.7001
H15A	0.936126	−0.018940	0.281279	0.172*	0.7001
H15B	0.922647	0.029178	0.318320	0.172*	0.7001
H15C	0.952573	0.080104	0.293415	0.172*	0.7001
Zn32	0.70427 (16)	0.4059 (5)	0.06108 (16)	0.0679 (19)	0.71 (3)
I304	0.77555 (12)	0.4640 (3)	0.10002 (17)	0.0822 (16)	0.71 (3)
I303	0.67119 (15)	0.4654 (4)	−0.00726 (12)	0.0883 (17)	0.71 (3)
I401	0.4369 (4)	0.9811 (6)	0.1203 (4)	0.137 (4)	0.4033
Zn41	0.3987 (7)	0.8762 (11)	0.1604 (6)	0.084 (5)	0.4033
I402	0.3687 (5)	0.9127 (9)	0.2205 (5)	0.117 (4)	0.4033
I502	0.357 (2)	0.857 (4)	0.2456 (18)	0.080*	0.0308
I501	0.408 (2)	1.000 (4)	0.1516 (17)	0.080*	0.0308
Zn51	0.377 (4)	0.857 (8)	0.191 (3)	0.080*	0.0308
I407	0.6861 (10)	0.9694 (9)	0.4967 (6)	0.194 (8)	0.376 (17)
Zn44	0.7160 (7)	0.8892 (7)	0.5612 (6)	0.130 (6)	0.376 (17)
I408	0.7913 (6)	0.9219 (11)	0.6025 (8)	0.197 (7)	0.376 (17)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I306	0.092 (3)	0.0396 (12)	0.082 (4)	−0.0100 (10)	−0.0336 (19)	−0.0034 (18)
I404	0.228 (17)	0.062 (6)	0.33 (3)	−0.066 (9)	0.17 (2)	−0.067 (11)
I311	0.046 (3)	0.101 (5)	0.171 (6)	−0.011 (2)	−0.037 (3)	0.090 (5)
I403	0.39 (3)	0.085 (8)	0.190 (14)	0.126 (13)	0.20 (2)	0.092 (9)
I307	0.086 (2)	0.0414 (13)	0.090 (2)	0.0129 (12)	0.0286 (17)	0.0113 (12)
I310	0.118 (3)	0.040 (2)	0.075 (2)	−0.0101 (19)	−0.039 (2)	−0.0030 (17)
I312	0.149 (6)	0.045 (4)	0.201 (8)	0.024 (4)	−0.122 (6)	−0.043 (5)
I308	0.076 (2)	0.0463 (16)	0.117 (3)	−0.0024 (14)	−0.0114 (19)	−0.0099 (14)
I309	0.084 (3)	0.125 (5)	0.075 (4)	−0.051 (3)	0.006 (2)	−0.024 (3)
I305	0.098 (3)	0.112 (4)	0.084 (3)	−0.031 (2)	0.0140 (17)	−0.012 (2)
I302	0.067 (2)	0.068 (4)	0.105 (3)	0.001 (2)	−0.0113 (19)	−0.028 (3)
I301	0.083 (2)	0.0389 (17)	0.117 (3)	0.0023 (15)	−0.021 (2)	0.0063 (17)
Zn36	0.086 (10)	0.032 (5)	0.123 (8)	−0.003 (5)	−0.070 (6)	0.015 (5)
Zn33	0.071 (3)	0.050 (3)	0.053 (5)	−0.006 (2)	−0.020 (3)	0.005 (3)
Zn42	0.214 (19)	0.008 (8)	0.171 (17)	0.000 (8)	0.122 (15)	0.006 (9)
Zn35	0.071 (5)	0.054 (7)	0.054 (6)	−0.016 (4)	−0.021 (4)	0.005 (4)
Zn31	0.053 (4)	0.039 (4)	0.079 (5)	0.005 (3)	−0.034 (3)	−0.017 (3)
Zn34	0.067 (3)	0.039 (3)	0.086 (3)	0.008 (2)	0.010 (3)	0.000 (2)
N320	0.047 (6)	0.026 (5)	0.058 (7)	−0.007 (4)	−0.016 (5)	−0.001 (4)
N302	0.054 (7)	0.035 (6)	0.066 (8)	0.000 (5)	−0.021 (5)	0.000 (5)
N323	0.082 (10)	0.035 (7)	0.072 (8)	0.003 (6)	−0.013 (7)	0.003 (5)
N301	0.058 (8)	0.046 (7)	0.082 (9)	0.002 (5)	−0.036 (6)	−0.001 (6)
N304	0.055 (7)	0.048 (7)	0.055 (7)	0.002 (5)	−0.020 (5)	−0.003 (5)
N316	0.054 (7)	0.038 (6)	0.058 (7)	−0.001 (5)	−0.016 (5)	0.003 (5)
N317	0.059 (8)	0.039 (7)	0.067 (7)	−0.009 (6)	−0.023 (6)	−0.010 (5)
C345	0.063 (9)	0.036 (7)	0.054 (7)	−0.001 (6)	−0.015 (6)	0.002 (5)
N315	0.071 (8)	0.041 (7)	0.062 (8)	0.005 (6)	−0.004 (6)	0.004 (6)
N318	0.064 (7)	0.058 (8)	0.050 (7)	−0.003 (6)	−0.031 (5)	0.003 (5)
N322	0.057 (7)	0.027 (5)	0.051 (7)	0.005 (5)	−0.012 (5)	0.001 (4)
N321	0.058 (7)	0.035 (5)	0.053 (7)	0.000 (5)	−0.020 (5)	0.001 (5)
C352	0.065 (9)	0.049 (9)	0.065 (9)	0.014 (7)	−0.010 (7)	0.015 (7)
N308	0.076 (9)	0.035 (5)	0.062 (8)	0.003 (6)	−0.026 (6)	0.001 (5)
C316	0.062 (9)	0.044 (7)	0.042 (7)	0.006 (6)	−0.027 (5)	−0.003 (5)
N310	0.064 (8)	0.039 (6)	0.068 (8)	−0.005 (5)	−0.021 (6)	0.002 (5)
C308	0.052 (8)	0.045 (7)	0.049 (7)	0.004 (6)	−0.025 (5)	−0.002 (5)
N309	0.066 (8)	0.035 (6)	0.066 (8)	−0.001 (5)	−0.024 (6)	0.004 (5)
C362	0.040 (6)	0.023 (5)	0.056 (7)	−0.005 (4)	−0.015 (5)	0.003 (5)
C349	0.065 (9)	0.041 (8)	0.059 (8)	−0.006 (6)	−0.012 (6)	−0.011 (6)
C363	0.055 (8)	0.026 (5)	0.065 (8)	0.000 (5)	−0.007 (6)	0.004 (5)
N324	0.060 (8)	0.025 (5)	0.100 (9)	−0.005 (5)	−0.044 (7)	0.004 (5)
C306	0.061 (8)	0.029 (6)	0.059 (8)	−0.002 (5)	−0.025 (5)	−0.006 (5)
N312	0.090 (10)	0.036 (5)	0.086 (9)	0.005 (6)	0.011 (7)	0.006 (5)
C334	0.068 (10)	0.033 (6)	0.067 (9)	−0.003 (6)	−0.010 (7)	0.001 (5)
C326	0.059 (8)	0.031 (6)	0.058 (8)	−0.003 (5)	−0.014 (6)	0.005 (5)
C303	0.057 (9)	0.036 (7)	0.078 (10)	0.003 (6)	−0.022 (6)	0.004 (6)
N306	0.066 (8)	0.060 (8)	0.056 (7)	0.012 (6)	−0.022 (5)	0.011 (6)
C324	0.065 (8)	0.035 (6)	0.067 (9)	−0.001 (6)	−0.015 (6)	0.008 (5)
C366	0.062 (9)	0.042 (6)	0.064 (9)	−0.003 (6)	−0.023 (7)	0.000 (6)
C317	0.063 (10)	0.053 (8)	0.059 (8)	0.012 (7)	−0.018 (7)	0.007 (6)
C361	0.048 (7)	0.030 (5)	0.047 (7)	0.001 (5)	−0.014 (5)	0.004 (5)
C367	0.056 (9)	0.043 (6)	0.076 (10)	0.001 (6)	−0.021 (8)	−0.007 (6)
C318	0.058 (9)	0.066 (10)	0.057 (8)	0.009 (7)	−0.024 (6)	0.010 (7)
C344	0.069 (9)	0.040 (7)	0.051 (8)	0.008 (6)	−0.012 (6)	−0.001 (5)
C327	0.060 (9)	0.040 (6)	0.070 (9)	−0.002 (6)	−0.019 (7)	0.014 (6)
N305	0.095 (9)	0.036 (7)	0.076 (8)	−0.002 (6)	0.012 (7)	0.001 (6)
N303	0.061 (8)	0.042 (7)	0.069 (8)	−0.001 (5)	−0.018 (5)	0.001 (6)
N319	0.089 (8)	0.033 (5)	0.059 (7)	−0.015 (6)	−0.036 (6)	0.013 (5)
C370	0.054 (8)	0.028 (6)	0.069 (9)	0.003 (5)	−0.017 (6)	0.012 (6)
C302	0.093 (15)	0.066 (12)	0.094 (14)	0.024 (10)	0.001 (10)	0.027 (10)
C356	0.093 (12)	0.031 (8)	0.099 (13)	0.000 (7)	−0.063 (11)	0.000 (7)
N307	0.088 (8)	0.041 (6)	0.076 (9)	−0.002 (6)	−0.032 (7)	0.012 (6)
N311	0.080 (10)	0.030 (6)	0.098 (11)	−0.007 (6)	−0.034 (8)	0.013 (7)
C304	0.076 (11)	0.049 (9)	0.066 (10)	0.014 (8)	−0.021 (7)	0.001 (7)
N314	0.090 (10)	0.044 (8)	0.065 (8)	0.013 (7)	0.004 (7)	0.005 (6)
C307	0.056 (8)	0.055 (8)	0.047 (7)	0.005 (6)	−0.027 (5)	−0.001 (6)
C348	0.050 (8)	0.052 (8)	0.057 (7)	−0.008 (6)	−0.027 (6)	−0.013 (6)
C305	0.062 (9)	0.038 (8)	0.078 (10)	0.001 (6)	−0.027 (7)	−0.008 (6)
C372	0.072 (10)	0.030 (6)	0.090 (12)	0.001 (6)	−0.030 (9)	−0.001 (7)
C355	0.089 (12)	0.042 (7)	0.101 (14)	−0.007 (7)	−0.052 (10)	−0.005 (8)
C371	0.070 (10)	0.037 (8)	0.082 (11)	0.004 (6)	−0.023 (8)	−0.004 (7)
C358	0.075 (10)	0.041 (7)	0.059 (9)	−0.006 (7)	−0.023 (7)	−0.002 (6)
C360	0.044 (7)	0.037 (5)	0.058 (8)	−0.002 (5)	−0.013 (5)	0.003 (5)
C313	0.094 (13)	0.059 (12)	0.104 (14)	0.027 (10)	0.025 (11)	0.036 (11)
C320	0.091 (12)	0.038 (7)	0.069 (10)	0.004 (7)	−0.027 (9)	0.010 (6)
C359	0.091 (10)	0.030 (7)	0.060 (9)	−0.008 (6)	−0.030 (8)	0.004 (6)
C333	0.087 (13)	0.042 (7)	0.078 (11)	0.001 (7)	−0.012 (9)	0.011 (7)
N313	0.120 (11)	0.058 (10)	0.095 (11)	0.024 (9)	0.038 (10)	0.011 (8)
C343	0.054 (8)	0.044 (7)	0.054 (8)	0.004 (6)	−0.016 (5)	0.006 (6)
C357	0.062 (8)	0.040 (6)	0.053 (8)	−0.003 (6)	−0.023 (6)	0.004 (5)
C368	0.072 (10)	0.024 (7)	0.112 (13)	0.005 (6)	−0.054 (10)	0.000 (7)
C369	0.062 (9)	0.033 (6)	0.091 (12)	0.006 (6)	−0.042 (9)	0.000 (7)
C335	0.092 (13)	0.032 (7)	0.085 (11)	−0.006 (8)	−0.026 (9)	−0.002 (7)
C319	0.090 (11)	0.042 (8)	0.077 (11)	0.009 (7)	−0.030 (9)	0.003 (7)
C328	0.068 (10)	0.041 (7)	0.093 (13)	0.005 (7)	−0.027 (9)	0.006 (7)
C365	0.089 (13)	0.038 (7)	0.072 (10)	0.012 (7)	−0.033 (9)	0.003 (7)
C309	0.067 (9)	0.049 (9)	0.066 (8)	0.003 (7)	−0.010 (6)	0.004 (7)
C314	0.123 (18)	0.055 (11)	0.076 (12)	0.031 (10)	0.020 (11)	0.021 (9)
C323	0.087 (13)	0.040 (6)	0.100 (14)	0.003 (7)	−0.057 (11)	0.015 (7)
C337	0.119 (17)	0.099 (19)	0.085 (14)	0.037 (14)	0.035 (13)	0.027 (13)
C364	0.098 (14)	0.035 (6)	0.071 (10)	0.008 (7)	−0.022 (9)	0.003 (6)
C315	0.096 (14)	0.063 (11)	0.061 (10)	0.028 (10)	−0.002 (8)	0.017 (8)
C332	0.072 (11)	0.041 (6)	0.086 (10)	0.017 (7)	0.001 (8)	0.019 (6)
C322	0.087 (12)	0.032 (8)	0.109 (15)	0.003 (7)	−0.053 (11)	0.014 (8)
C321	0.070 (10)	0.037 (7)	0.079 (10)	0.000 (6)	−0.028 (8)	0.010 (6)
C342	0.084 (11)	0.048 (9)	0.057 (9)	0.018 (7)	−0.001 (7)	0.006 (6)
C325	0.071 (9)	0.032 (6)	0.061 (8)	−0.003 (6)	−0.023 (7)	0.010 (5)
C336	0.15 (2)	0.036 (7)	0.080 (12)	0.001 (9)	−0.021 (12)	−0.001 (7)
C330	0.118 (17)	0.034 (7)	0.14 (2)	0.006 (9)	−0.081 (15)	0.001 (9)
C339	0.072 (11)	0.070 (12)	0.064 (9)	0.008 (8)	0.001 (7)	0.005 (8)
C311	0.084 (12)	0.092 (16)	0.077 (12)	0.006 (10)	0.003 (9)	0.020 (11)
C312	0.108 (16)	0.074 (15)	0.100 (13)	0.031 (12)	0.030 (11)	0.037 (12)
C301	0.096 (15)	0.055 (11)	0.101 (14)	0.018 (9)	−0.007 (10)	0.020 (10)
C353	0.067 (11)	0.105 (19)	0.105 (16)	0.022 (11)	0.004 (10)	0.055 (14)
C331	0.136 (18)	0.031 (8)	0.123 (16)	0.020 (9)	−0.080 (15)	0.000 (9)
C310	0.077 (11)	0.077 (14)	0.066 (9)	0.009 (9)	−0.007 (7)	0.010 (9)
C347	0.083 (13)	0.060 (11)	0.085 (12)	0.019 (9)	−0.001 (9)	0.023 (9)
C354	0.075 (10)	0.073 (13)	0.090 (14)	0.011 (9)	−0.001 (9)	0.031 (10)
C338	0.12 (2)	0.11 (2)	0.103 (15)	0.060 (17)	0.045 (14)	0.055 (15)
C346	0.080 (12)	0.056 (10)	0.066 (9)	0.014 (8)	−0.008 (8)	0.018 (8)
C341	0.111 (18)	0.097 (19)	0.102 (14)	0.046 (15)	0.032 (13)	0.030 (13)
C329	0.066 (10)	0.039 (8)	0.099 (13)	0.002 (7)	−0.038 (9)	0.007 (8)
C350	0.115 (16)	0.16 (3)	0.15 (2)	0.079 (19)	0.044 (17)	0.11 (2)
C340	0.105 (16)	0.100 (18)	0.073 (12)	0.042 (13)	0.013 (11)	0.017 (11)
C351	0.104 (17)	0.14 (3)	0.14 (2)	0.070 (18)	0.037 (16)	0.09 (2)
I406	0.181 (14)	0.043 (4)	0.068 (10)	−0.022 (6)	−0.062 (7)	−0.001 (5)
Zn43	0.124 (13)	0.049 (9)	0.049 (11)	−0.031 (8)	−0.030 (7)	0.006 (8)
I405	0.156 (12)	0.124 (18)	0.098 (13)	−0.046 (10)	0.017 (8)	0.005 (11)
I412	0.065 (4)	0.030 (2)	0.143 (4)	0.0011 (18)	−0.019 (5)	−0.022 (2)
Zn46	0.037 (5)	0.028 (5)	0.098 (7)	−0.007 (3)	−0.028 (4)	0.003 (4)
I411	0.074 (7)	0.070 (4)	0.134 (6)	0.004 (4)	−0.014 (5)	0.039 (4)
Zn45	0.125 (11)	0.045 (8)	0.062 (8)	−0.030 (7)	−0.050 (6)	0.011 (5)
I410	0.233 (15)	0.047 (4)	0.134 (10)	0.031 (6)	−0.112 (9)	−0.017 (5)
I409	0.168 (9)	0.188 (15)	0.068 (4)	−0.120 (9)	−0.013 (5)	−0.022 (6)
C3A	0.043 (11)	0.035 (11)	0.085 (15)	−0.001 (9)	−0.009 (11)	0.007 (11)
C2A	0.042 (11)	0.055 (14)	0.103 (18)	−0.012 (10)	−0.016 (12)	0.018 (13)
C1A	0.040 (11)	0.046 (13)	0.100 (18)	−0.008 (10)	−0.033 (12)	0.018 (12)
C6A	0.044 (12)	0.039 (12)	0.12 (2)	0.009 (10)	−0.020 (13)	−0.010 (13)
C5A	0.064 (13)	0.030 (10)	0.090 (15)	−0.002 (10)	−0.010 (12)	−0.002 (11)
C4A	0.054 (11)	0.022 (9)	0.084 (14)	−0.004 (8)	0.003 (11)	−0.007 (10)
O2A	0.112 (16)	0.059 (12)	0.075 (12)	−0.036 (11)	0.016 (12)	−0.020 (10)
O3A	0.062 (10)	0.060 (11)	0.091 (13)	0.016 (9)	0.008 (10)	0.018 (10)
C7A	0.080 (14)	0.021 (9)	0.075 (13)	−0.014 (9)	0.022 (12)	−0.005 (9)
C8A	0.107 (17)	0.034 (11)	0.076 (15)	−0.015 (12)	0.028 (14)	−0.011 (11)
O1A	0.052 (10)	0.077 (14)	0.110 (16)	−0.019 (10)	−0.001 (10)	−0.045 (12)
C13A	0.094 (18)	0.035 (12)	0.090 (18)	0.012 (12)	0.003 (15)	−0.004 (12)
C11A	0.12 (2)	0.039 (13)	0.090 (17)	0.018 (13)	0.045 (16)	0.005 (12)
C9A	0.13 (2)	0.041 (13)	0.071 (16)	−0.023 (14)	0.029 (16)	−0.013 (12)
C10A	0.15 (2)	0.044 (14)	0.085 (18)	0.004 (15)	0.061 (17)	−0.005 (13)
C12A	0.094 (16)	0.035 (11)	0.083 (15)	0.023 (11)	0.027 (13)	0.007 (11)
C14A	0.10 (2)	0.10 (3)	0.10 (2)	−0.06 (2)	0.04 (2)	−0.02 (2)
C15A	0.09 (2)	0.08 (2)	0.17 (4)	0.04 (2)	0.00 (2)	0.05 (2)
Zn32	0.084 (4)	0.035 (5)	0.082 (4)	0.009 (3)	0.010 (3)	0.012 (3)
I304	0.080 (2)	0.0316 (14)	0.131 (3)	−0.0036 (12)	0.0133 (19)	0.0087 (14)
I303	0.132 (4)	0.0479 (18)	0.085 (2)	0.0341 (18)	0.023 (3)	0.0279 (15)
I401	0.119 (5)	0.055 (4)	0.212 (12)	0.010 (4)	−0.021 (7)	0.042 (6)
Zn41	0.084 (8)	0.033 (5)	0.105 (11)	0.002 (4)	−0.051 (6)	−0.002 (6)
I402	0.119 (9)	0.075 (6)	0.123 (8)	0.013 (5)	−0.050 (5)	−0.036 (5)
I407	0.38 (2)	0.066 (5)	0.200 (11)	0.103 (9)	0.208 (13)	0.067 (6)
Zn44	0.215 (15)	0.033 (5)	0.178 (13)	0.004 (8)	0.125 (11)	0.003 (7)
I408	0.240 (12)	0.094 (8)	0.301 (19)	−0.093 (8)	0.154 (11)	−0.087 (10)

Geometric parameters (Å, º)

I306—Zn33	2.540 (10)	N314—C342	1.36 (2)
I404—Zn42	2.515 (15)	C307—C309	1.50 (3)
I311—Zn36	2.44 (3)	C348—H348	0.9500
I403—Zn42	2.518 (15)	C305—H305	0.9500
I307—Zn34	2.538 (7)	C372—H372	0.9500
I310—Zn35	2.535 (9)	C372—C371	1.35 (3)
I312—Zn36	2.49 (3)	C355—H355	0.9500
I308—Zn34	2.532 (6)	C371—H371	0.9500
I309—Zn35	2.533 (8)	C358—H358	0.9500
I305—Zn33	2.530 (10)	C358—C359	1.37 (2)
I302—Zn31	2.505 (10)	C358—C357	1.39 (3)
I301—Zn31	2.555 (10)	C360—C357	1.49 (2)
Zn36—N317^i	2.17 (3)	C313—H313	0.9500
Zn36—N324	2.09 (2)	C313—C309	1.34 (3)
Zn33—N306	2.022 (19)	C313—C312	1.36 (3)
Zn33—N307	2.12 (2)	C320—H320	0.9500
Zn42—N323^ii	2.03 (2)	C320—C319	1.34 (3)
Zn42—N305	2.07 (2)	C320—C321	1.37 (3)
Zn35—N318	2.066 (18)	C359—H359	0.9500
Zn35—N319	2.060 (16)	C333—H333	0.9500
Zn31—N301	2.050 (17)	C333—C332	1.40 (3)
Zn31—N311^iii	2.11 (2)	N313—C337	1.35 (3)
Zn34—N312	2.063 (17)	N313—C341	1.33 (3)
Zn34—N313	2.06 (2)	N313—Zn44	2.06 (2)
N320—C362	1.310 (19)	C368—H368	0.9500
N320—C360	1.34 (2)	C368—C369	1.40 (2)
N302—C308	1.37 (2)	C369—H369	0.9500
N302—C306	1.36 (2)	C335—H335	0.9500
N323—C366	1.31 (2)	C335—C336	1.44 (3)
N323—C365	1.39 (2)	C319—H319	0.9500
N301—C305	1.33 (3)	C328—H328	0.9500
N301—C301	1.28 (3)	C328—C329	1.42 (3)
N301—Zn41	2.04 (2)	C365—H365	0.9500
N301—Zn51	2.47 (12)	C365—C364	1.35 (3)
N304—C308	1.31 (2)	C309—C310	1.35 (3)
N304—C307	1.32 (2)	C314—H314	0.9500
N316—C344	1.38 (2)	C314—C315	1.41 (3)
N316—C343	1.37 (2)	C323—H323	0.9500
N317—C348	1.37 (2)	C323—C322	1.41 (3)
N317—C347	1.26 (3)	C337—H337	0.9500
N317—Zn46^iv	2.02 (3)	C337—C338	1.39 (3)
C345—C349	1.39 (3)	C364—H364	0.9500
C345—C343	1.49 (2)	C315—H315	0.9500
C345—C346	1.36 (3)	C332—H332	0.9500
N315—C343	1.33 (2)	C322—H322	0.9500
N315—C342	1.33 (2)	C322—C321	1.40 (2)
N318—C354	1.27 (3)	C342—C339	1.47 (3)
N318—C350	1.37 (3)	C336—H336	0.9500
N318—Zn45	2.052 (19)	C330—H330	0.9500
N318—Zn55	2.50 (14)	C330—C331	1.37 (3)
N322—C362	1.319 (19)	C339—C338	1.31 (3)
N322—C361	1.349 (19)	C339—C340	1.48 (3)
N321—C361	1.34 (2)	C311—H311	0.9500
N321—C360	1.32 (2)	C311—C310	1.36 (3)
C352—C344	1.45 (3)	C312—H312	0.9500
C352—C353	1.29 (3)	C301—H301	0.9500
C352—C351	1.42 (3)	C353—H353	0.9500
N308—C326	1.32 (2)	C353—C354	1.42 (3)
N308—C324	1.36 (2)	C331—H331	0.9500
C316—C308	1.50 (2)	C310—H310	0.9500
C316—C317	1.38 (2)	C347—H347	0.9500
C316—C315	1.38 (3)	C347—C346	1.41 (3)
N310—C326	1.33 (2)	C354—H354	0.9500
N310—C325	1.37 (2)	C338—H338	0.9500
N309—C324	1.28 (2)	C346—H346	0.9500
N309—C325	1.31 (2)	C341—H341	0.9500
C362—C370	1.50 (2)	C341—C340	1.36 (4)
C349—H349	0.9500	C329—H329	0.9500
C349—C348	1.36 (3)	C350—H350	0.9500
C363—C361	1.50 (2)	C350—C351	1.38 (4)
C363—C367	1.41 (2)	C340—H340	0.9500
C363—C364	1.37 (2)	C351—H351	0.9500
N324—C372	1.36 (2)	I406—Zn43	2.55 (4)
N324—C368	1.34 (2)	Zn43—I405	2.54 (4)
N324—Zn46	2.07 (2)	I412—Zn46	2.60 (2)
C306—C303	1.51 (2)	Zn46—I411	2.59 (3)
C306—N303	1.35 (3)	Zn45—I410	2.527 (12)
N312—C332	1.33 (3)	Zn45—I409	2.530 (13)
N312—C336	1.30 (3)	I1—Zn55	2.533 (19)
N312—Zn44	2.061 (19)	I2—Zn55	2.533 (19)
C334—C326	1.48 (2)	C3A—H3A	0.9500
C334—C333	1.41 (3)	C3A—C2A	1.3900
C334—C335	1.33 (3)	C3A—C4A	1.3900
C303—C302	1.31 (3)	C2A—H2A	0.9500
C303—C304	1.39 (3)	C2A—C1A	1.3900
N306—C318	1.35 (3)	C1A—H1A	0.9500
N306—C314	1.33 (3)	C1A—C6A	1.3900
N306—Zn43	2.19 (4)	C6A—H6A	0.9500
C324—C321	1.48 (3)	C6A—C5A	1.3900
C366—H366	0.9500	C5A—C4A	1.3900
C366—C367	1.34 (3)	C5A—C13A	1.513 (17)
C317—H317	0.9500	C4A—C7A	1.50 (2)
C317—C318	1.37 (3)	O2A—C8A	1.38 (2)
C367—H367	0.9500	O2A—C14A	1.41 (2)
C318—H318	0.9500	O3A—C12A	1.39 (2)
C344—N314	1.29 (3)	O3A—C15A	1.41 (2)
C327—C328	1.35 (3)	C7A—C8A	1.396 (17)
C327—C325	1.48 (2)	C7A—C12A	1.387 (17)
C327—C331	1.38 (3)	C8A—C9A	1.387 (17)
N305—C311	1.36 (3)	O1A—H1AA	0.8400
N305—C312	1.29 (3)	O1A—C13A	1.40 (2)
N305—Zn32	2.051 (19)	C13A—H13A	0.9900
N303—C307	1.32 (2)	C13A—H13B	0.9900
N319—C355	1.31 (3)	C11A—H11A	0.9500
N319—C359	1.33 (2)	C11A—C10A	1.378 (18)
N319—Zn45	2.052 (17)	C11A—C12A	1.393 (17)
N319—Zn55	2.20 (14)	C9A—H9A	0.9500
C370—C371	1.42 (3)	C9A—C10A	1.374 (18)
C370—C369	1.36 (2)	C10A—H10A	0.9500
C302—H302	0.9500	C14A—H14A	0.9800
C302—C301	1.46 (3)	C14A—H14B	0.9800
C356—H356	0.9500	C14A—H14C	0.9800
C356—C355	1.38 (3)	C15A—H15A	0.9800
C356—C357	1.37 (2)	C15A—H15B	0.9800
N307—C319	1.39 (2)	C15A—H15C	0.9800
N307—C323	1.28 (3)	Zn32—I304	2.524 (6)
N307—Zn43	1.99 (5)	Zn32—I303	2.528 (5)
N311—C330	1.33 (3)	I401—Zn41	2.561 (14)
N311—C329	1.33 (3)	Zn41—I402	2.512 (15)
N311—Zn41^v	2.01 (3)	I502—Zn51	2.10 (13)
N311—Zn51^v	2.37 (12)	I501—Zn51	2.83 (13)
C304—H304	0.9500	I407—Zn44	2.528 (14)
C304—C305	1.44 (3)	Zn44—I408	2.552 (15)
I311—Zn36—I312	122.7 (11)	C341—N313—Zn34	116.3 (18)
N317^i—Zn36—I311	108.5 (12)	C341—N313—C337	119 (2)
N317^i—Zn36—I312	107.8 (11)	C341—N313—Zn44	126.6 (18)
N324—Zn36—I311	108.0 (12)	N316—C343—C345	116.8 (17)
N324—Zn36—I312	109.4 (12)	N315—C343—N316	126.0 (16)
N324—Zn36—N317^i	97.4 (11)	N315—C343—C345	117.1 (16)
I305—Zn33—I306	124.8 (6)	C356—C357—C358	118.9 (16)
N306—Zn33—I306	108.7 (7)	C356—C357—C360	120.9 (16)
N306—Zn33—I305	106.7 (7)	C358—C357—C360	119.8 (15)
N306—Zn33—N307	101.9 (9)	N324—C368—H368	119.7
N307—Zn33—I306	107.9 (7)	N324—C368—C369	120.7 (17)
N307—Zn33—I305	104.6 (8)	C369—C368—H368	119.7
I404—Zn42—I403	119.2 (9)	C370—C369—C368	119.1 (17)
N323^ii—Zn42—I404	104.7 (9)	C370—C369—H369	120.5
N323^ii—Zn42—I403	108.3 (9)	C368—C369—H369	120.5
N323^ii—Zn42—N305	103.3 (10)	C334—C335—H335	118.9
N305—Zn42—I404	113.2 (10)	C334—C335—C336	122 (2)
N305—Zn42—I403	106.8 (9)	C336—C335—H335	118.9
I309—Zn35—I310	126.0 (5)	N307—C319—H319	120.2
N318—Zn35—I310	107.4 (7)	C320—C319—N307	119.7 (18)
N318—Zn35—I309	106.6 (7)	C320—C319—H319	120.2
N319—Zn35—I310	107.7 (7)	C327—C328—H328	119.9
N319—Zn35—I309	104.1 (7)	C327—C328—C329	120.3 (19)
N319—Zn35—N318	102.7 (7)	C329—C328—H328	119.9
I302—Zn31—I301	126.4 (5)	N323—C365—H365	119.2
N301—Zn31—I302	112.0 (8)	C364—C365—N323	121.5 (17)
N301—Zn31—I301	103.5 (7)	C364—C365—H365	119.2
N301—Zn31—N311^iii	97.1 (8)	C313—C309—C307	121.1 (19)
N311^iii—Zn31—I302	106.5 (8)	C313—C309—C310	117 (2)
N311^iii—Zn31—I301	107.4 (8)	C310—C309—C307	122.0 (18)
I308—Zn34—I307	121.6 (3)	N306—C314—H314	119.8
N312—Zn34—I307	109.8 (6)	N306—C314—C315	120 (2)
N312—Zn34—I308	107.0 (6)	C315—C314—H314	119.8
N313—Zn34—I307	104.9 (6)	N307—C323—H323	118.1
N313—Zn34—I308	109.4 (8)	N307—C323—C322	123.7 (17)
N313—Zn34—N312	102.5 (8)	C322—C323—H323	118.1
C362—N320—C360	114.7 (13)	N313—C337—H337	119.8
C306—N302—C308	111.2 (16)	N313—C337—C338	120 (2)
C366—N323—Zn42^vi	124.5 (14)	C338—C337—H337	119.8
C366—N323—C365	116.2 (15)	C363—C364—H364	119.5
C365—N323—Zn42^vi	119.3 (13)	C365—C364—C363	121.1 (19)
C305—N301—Zn31	117.4 (16)	C365—C364—H364	119.5
C305—N301—Zn41	127.6 (17)	C316—C315—C314	119.2 (19)
C305—N301—Zn51	93 (3)	C316—C315—H315	120.4
C301—N301—Zn31	121.8 (15)	C314—C315—H315	120.4
C301—N301—C305	120.6 (18)	N312—C332—C333	122.9 (18)
C301—N301—Zn41	111.3 (15)	N312—C332—H332	118.5
C301—N301—Zn51	146 (3)	C333—C332—H332	118.5
C308—N304—C307	114.8 (16)	C323—C322—H322	120.9
C343—N316—C344	112.6 (16)	C321—C322—C323	118.2 (18)
C348—N317—Zn36^iv	119.6 (16)	C321—C322—H322	120.9
C348—N317—Zn46^iv	121.7 (15)	C320—C321—C324	122.5 (16)
C347—N317—Zn36^iv	121.4 (15)	C320—C321—C322	116.1 (18)
C347—N317—C348	118.9 (17)	C322—C321—C324	121.4 (17)
C347—N317—Zn46^iv	119.2 (15)	N315—C342—N314	124.9 (19)
C349—C345—C343	120.9 (16)	N315—C342—C339	116.3 (18)
C346—C345—C349	117.5 (18)	N314—C342—C339	118.8 (17)
C346—C345—C343	121.5 (19)	N310—C325—C327	115.2 (15)
C342—N315—C343	114.7 (16)	N309—C325—N310	124.5 (15)
C354—N318—Zn35	121.7 (17)	N309—C325—C327	120.3 (16)
C354—N318—C350	117.2 (19)	N312—C336—C335	121 (2)
C354—N318—Zn45	126.0 (17)	N312—C336—H336	119.7
C354—N318—Zn55	104 (3)	C335—C336—H336	119.7
C350—N318—Zn35	119.9 (14)	N311—C330—H330	116.2
C350—N318—Zn45	115.8 (14)	N311—C330—C331	128 (2)
C350—N318—Zn55	136 (3)	C331—C330—H330	116.2
C362—N322—C361	114.1 (13)	C342—C339—C340	117.9 (19)
C360—N321—C361	113.8 (13)	C338—C339—C342	125 (2)
C353—C352—C344	123.9 (18)	C338—C339—C340	117 (2)
C353—C352—C351	118 (2)	N305—C311—H311	119.4
C351—C352—C344	118 (2)	C310—C311—N305	121 (2)
C326—N308—C324	113.4 (14)	C310—C311—H311	119.4
C317—C316—C308	120.2 (18)	N305—C312—C313	124 (2)
C317—C316—C315	119.1 (18)	N305—C312—H312	117.9
C315—C316—C308	120.5 (16)	C313—C312—H312	117.9
C326—N310—C325	113.5 (14)	N301—C301—C302	121 (2)
N302—C308—C316	115.1 (17)	N301—C301—H301	119.6
N304—C308—N302	126.9 (17)	C302—C301—H301	119.6
N304—C308—C316	118.0 (15)	C352—C353—H353	118.8
C324—N309—C325	116.1 (16)	C352—C353—C354	122 (2)
N320—C362—N322	126.2 (13)	C354—C353—H353	118.8
N320—C362—C370	115.7 (13)	C327—C331—H331	122.4
N322—C362—C370	117.9 (13)	C330—C331—C327	115 (2)
C345—C349—H349	119.2	C330—C331—H331	122.4
C348—C349—C345	121.6 (18)	C309—C310—C311	121 (2)
C348—C349—H349	119.2	C309—C310—H310	119.6
C367—C363—C361	122.4 (15)	C311—C310—H310	119.6
C364—C363—C361	120.5 (16)	N317—C347—H347	117.7
C364—C363—C367	116.9 (16)	N317—C347—C346	125 (2)
C372—N324—Zn36	122.4 (14)	C346—C347—H347	117.7
C372—N324—Zn46	120.5 (14)	N318—C354—C353	121 (2)
C368—N324—Zn36	117.4 (13)	N318—C354—H354	119.5
C368—N324—C372	119.9 (15)	C353—C354—H354	119.5
C368—N324—Zn46	119.6 (13)	C337—C338—H338	118.9
N302—C306—C303	117.5 (18)	C339—C338—C337	122 (2)
N303—C306—N302	126.9 (16)	C339—C338—H338	118.9
N303—C306—C303	115.3 (16)	C345—C346—C347	118 (2)
C332—N312—Zn34	126.6 (13)	C345—C346—H346	121.2
C332—N312—Zn44	114.5 (15)	C347—C346—H346	121.2
C336—N312—Zn34	114.6 (16)	N313—C341—H341	118.5
C336—N312—C332	118.8 (18)	N313—C341—C340	123 (2)
C336—N312—Zn44	126.6 (17)	C340—C341—H341	118.5
C333—C334—C326	121.4 (17)	N311—C329—C328	120.8 (18)
C335—C334—C326	122.9 (17)	N311—C329—H329	119.6
C335—C334—C333	115.8 (18)	C328—C329—H329	119.6
N308—C326—N310	126.0 (15)	N318—C350—H350	118.5
N308—C326—C334	120.5 (15)	N318—C350—C351	123 (2)
N310—C326—C334	113.5 (15)	C351—C350—H350	118.5
C302—C303—C306	122 (2)	C339—C340—H340	121.1
C302—C303—C304	119 (2)	C341—C340—C339	118 (2)
C304—C303—C306	119.1 (18)	C341—C340—H340	121.1
C318—N306—Zn33	118.3 (13)	C352—C351—H351	121.8
C318—N306—Zn43	126.0 (18)	C350—C351—C352	116 (3)
C314—N306—Zn33	122.2 (16)	C350—C351—H351	121.8
C314—N306—C318	119.3 (18)	N306—Zn43—I406	104.6 (16)
C314—N306—Zn43	114 (2)	N306—Zn43—I405	109.4 (19)
N308—C324—C321	116.6 (15)	N307—Zn43—N306	100.2 (19)
N309—C324—N308	126.0 (17)	N307—Zn43—I406	101.8 (19)
N309—C324—C321	117.4 (16)	N307—Zn43—I405	111.4 (19)
N323—C366—H366	117.5	I405—Zn43—I406	126.3 (18)
N323—C366—C367	125.0 (18)	N317^i—Zn46—N324	103.0 (11)
C367—C366—H366	117.5	N317^i—Zn46—I412	105.1 (9)
C316—C317—H317	120.8	N317^i—Zn46—I411	112.5 (12)
C318—C317—C316	118 (2)	N324—Zn46—I412	106.7 (11)
C318—C317—H317	120.8	N324—Zn46—I411	101.0 (10)
N322—C361—C363	117.8 (13)	I411—Zn46—I412	126.1 (10)
N321—C361—N322	125.3 (14)	N318—Zn45—I410	105.8 (8)
N321—C361—C363	116.9 (13)	N318—Zn45—I409	106.5 (8)
C363—C367—H367	120.4	N319—Zn45—N318	103.5 (7)
C366—C367—C363	119.1 (17)	N319—Zn45—I410	110.3 (8)
C366—C367—H367	120.4	N319—Zn45—I409	104.1 (8)
N306—C318—C317	123.0 (19)	I410—Zn45—I409	124.8 (7)
N306—C318—H318	118.5	N318—Zn55—I1	96 (4)
C317—C318—H318	118.5	N318—Zn55—I2	120 (5)
N316—C344—C352	113.7 (17)	N319—Zn55—N318	86 (4)
N314—C344—N316	125.5 (17)	N319—Zn55—I1	96 (4)
N314—C344—C352	120.5 (16)	N319—Zn55—I2	124 (6)
C328—C327—C325	120.9 (17)	I2—Zn55—I1	126 (5)
C328—C327—C331	119.7 (17)	C2A—C3A—H3A	120.0
C331—C327—C325	119.4 (17)	C2A—C3A—C4A	120.0
C311—N305—Zn42	123.3 (16)	C4A—C3A—H3A	120.0
C311—N305—Zn32	121.7 (15)	C3A—C2A—H2A	120.0
C312—N305—Zn42	120.3 (17)	C1A—C2A—C3A	120.0
C312—N305—C311	116 (2)	C1A—C2A—H2A	120.0
C312—N305—Zn32	121.8 (17)	C2A—C1A—H1A	120.0
C307—N303—C306	113.1 (16)	C6A—C1A—C2A	120.0
C355—N319—Zn35	119.6 (13)	C6A—C1A—H1A	120.0
C355—N319—C359	115.5 (16)	C1A—C6A—H6A	120.0
C355—N319—Zn45	123.0 (14)	C1A—C6A—C5A	120.0
C355—N319—Zn55	105 (2)	C5A—C6A—H6A	120.0
C359—N319—Zn35	124.9 (13)	C6A—C5A—C13A	120.7 (13)
C359—N319—Zn45	121.6 (13)	C4A—C5A—C6A	120.0
C359—N319—Zn55	135 (3)	C4A—C5A—C13A	119.3 (13)
C371—C370—C362	119.5 (15)	C3A—C4A—C7A	119.5 (14)
C369—C370—C362	120.6 (15)	C5A—C4A—C3A	120.0
C369—C370—C371	119.9 (15)	C5A—C4A—C7A	120.4 (14)
C303—C302—H302	119.6	C8A—O2A—C14A	116 (3)
C303—C302—C301	121 (3)	C12A—O3A—C15A	116.8 (19)
C301—C302—H302	119.6	C8A—C7A—C4A	120.4 (17)
C355—C356—H356	120.6	C12A—C7A—C4A	120.5 (16)
C357—C356—H356	120.5	C12A—C7A—C8A	118.9 (17)
C357—C356—C355	118.9 (19)	O2A—C8A—C7A	115.5 (17)
C319—N307—Zn33	119.1 (13)	O2A—C8A—C9A	124.4 (19)
C319—N307—Zn43	122.3 (18)	C9A—C8A—C7A	120.1 (18)
C323—N307—Zn33	122.1 (14)	C13A—O1A—H1AA	109.5
C323—N307—C319	118.9 (17)	C5A—C13A—H13A	108.8
C323—N307—Zn43	118.0 (19)	C5A—C13A—H13B	108.8
Zn31^v—N311—Zn51^v	26 (3)	O1A—C13A—C5A	113.9 (17)
C330—N311—Zn31^v	118.3 (15)	O1A—C13A—H13A	108.8
C330—N311—C329	115.9 (17)	O1A—C13A—H13B	108.8
C330—N311—Zn41^v	123.3 (14)	H13A—C13A—H13B	107.7
C330—N311—Zn51^v	103 (3)	C10A—C11A—H11A	119.8
C329—N311—Zn31^v	124.8 (13)	C10A—C11A—C12A	120.4 (19)
C329—N311—Zn41^v	120.8 (13)	C12A—C11A—H11A	119.8
C329—N311—Zn51^v	129 (3)	C8A—C9A—H9A	119.7
Zn41^v—N311—Zn51^v	36 (3)	C10A—C9A—C8A	120.6 (19)
C303—C304—H304	120.8	C10A—C9A—H9A	119.7
C303—C304—C305	118.4 (19)	C11A—C10A—H10A	120.1
C305—C304—H304	120.8	C9A—C10A—C11A	119.7 (19)
C344—N314—C342	116.2 (17)	C9A—C10A—H10A	120.1
N304—C307—C309	116.9 (16)	O3A—C12A—C11A	123.3 (18)
N303—C307—N304	127.1 (19)	C7A—C12A—O3A	116.4 (16)
N303—C307—C309	116.0 (17)	C7A—C12A—C11A	120.2 (17)
N317—C348—H348	120.2	O2A—C14A—H14A	109.5
C349—C348—N317	119.5 (19)	O2A—C14A—H14B	109.5
C349—C348—H348	120.2	O2A—C14A—H14C	109.5
N301—C305—C304	121 (2)	H14A—C14A—H14B	109.5
N301—C305—H305	119.7	H14A—C14A—H14C	109.5
C304—C305—H305	119.7	H14B—C14A—H14C	109.5
N324—C372—H372	118.8	O3A—C15A—H15A	109.5
C371—C372—N324	122.3 (18)	O3A—C15A—H15B	109.5
C371—C372—H372	118.8	O3A—C15A—H15C	109.5
N319—C355—C356	124.2 (19)	H15A—C15A—H15B	109.5
N319—C355—H355	117.9	H15A—C15A—H15C	109.5
C356—C355—H355	117.9	H15B—C15A—H15C	109.5
C370—C371—H371	121.0	N323^ii—Zn32—I304	106.7 (5)
C372—C371—C370	118.0 (17)	N323^ii—Zn32—I303	110.7 (5)
C372—C371—H371	121.0	N305—Zn32—N323^ii	101.3 (7)
C359—C358—H358	121.8	N305—Zn32—I304	106.9 (6)
C359—C358—C357	116.3 (17)	N305—Zn32—I303	108.0 (6)
C357—C358—H358	121.8	I304—Zn32—I303	121.4 (3)
N320—C360—C357	117.1 (14)	N301—Zn41—I401	106.3 (9)
N321—C360—N320	125.6 (14)	N301—Zn41—I402	103.4 (9)
N321—C360—C357	117.2 (14)	N311^iii—Zn41—N301	100.7 (10)
C309—C313—H313	119.8	N311^iii—Zn41—I401	111.8 (11)
C309—C313—C312	120 (2)	N311^iii—Zn41—I402	103.4 (10)
C312—C313—H313	119.8	I402—Zn41—I401	127.9 (9)
C319—C320—H320	118.4	N301—Zn51—I501	85 (4)
C319—C320—C321	123.1 (18)	N311^iii—Zn51—N301	80 (4)
C321—C320—H320	118.4	N311^iii—Zn51—I501	82 (4)
N319—C359—C358	126.0 (18)	I502—Zn51—N301	124 (5)
N319—C359—H359	117.0	I502—Zn51—I501	129 (5)
C358—C359—H359	117.0	N312—Zn44—I407	114.9 (9)
C334—C333—H333	120.2	N312—Zn44—I408	99.8 (8)
C332—C333—C334	120 (2)	N313—Zn44—N312	102.8 (9)
C332—C333—H333	120.2	N313—Zn44—I407	113.8 (10)
C337—N313—Zn34	124.8 (17)	N313—Zn44—I408	100.7 (10)
C337—N313—Zn44	114.4 (18)	I407—Zn44—I408	122.1 (7)
Zn36^iv—N317—C348—C349	174.8 (13)	C333—C334—C326—N308	−7 (3)
Zn36^iv—N317—C347—C346	−170.4 (19)	C333—C334—C326—N310	172 (2)
Zn36—N324—C372—C371	−176 (2)	C333—C334—C335—C336	3 (4)
Zn36—N324—C368—C369	173 (2)	N313—C337—C338—C339	−11 (6)
Zn33—N306—C318—C317	−174.0 (15)	N313—C341—C340—C339	−3 (5)
Zn33—N306—C314—C315	173 (2)	C343—N316—C344—C352	175.0 (15)
Zn33—N307—C319—C320	−174.5 (19)	C343—N316—C344—N314	1 (3)
Zn33—N307—C323—C322	176 (2)	C343—C345—C349—C348	−172.6 (16)
Zn42^vi—N323—C366—C367	−179.2 (18)	C343—C345—C346—C347	176.5 (19)
Zn42^vi—N323—C365—C364	−179 (2)	C343—N315—C342—N314	0 (3)
Zn42—N305—C311—C310	−179 (2)	C343—N315—C342—C339	177.5 (18)
Zn42—N305—C312—C313	−179 (2)	C357—C356—C355—N319	−3 (5)
Zn35—N318—C354—C353	179 (2)	C357—C358—C359—N319	−1 (3)
Zn35—N318—C350—C351	175 (3)	C368—N324—C372—C371	−3 (4)
Zn35—N319—C355—C356	176 (2)	C369—C370—C371—C372	−2 (3)
Zn35—N319—C359—C358	−173.6 (18)	C335—C334—C326—N308	175 (2)
Zn31—N301—C305—C304	172.9 (14)	C335—C334—C326—N310	−7 (3)
Zn31—N301—C301—C302	−171.8 (19)	C335—C334—C333—C332	−1 (3)
Zn31^v—N311—C330—C331	−166 (3)	C319—N307—C323—C322	−3 (4)
Zn31^v—N311—C329—C328	171.7 (19)	C319—C320—C321—C324	176 (2)
Zn34—N312—C332—C333	179.3 (17)	C319—C320—C321—C322	−3 (4)
Zn34—N312—C336—C335	−177 (2)	C328—C327—C325—N310	179 (2)
Zn34—N313—C337—C338	−168 (3)	C328—C327—C325—N309	−2 (3)
Zn34—N313—C341—C340	175 (3)	C328—C327—C331—C330	6 (5)
N320—C362—C370—C371	178.2 (18)	C365—N323—C366—C367	2 (3)
N320—C362—C370—C369	1 (3)	C309—C313—C312—N305	−4 (5)
N320—C360—C357—C356	176 (2)	C314—N306—C318—C317	3 (3)
N320—C360—C357—C358	−11 (3)	C323—N307—C319—C320	4 (4)
N302—C306—C303—C302	−178 (2)	C323—C322—C321—C324	−175 (2)
N302—C306—C303—C304	2 (2)	C323—C322—C321—C320	4 (4)
N302—C306—N303—C307	0 (2)	C337—N313—C341—C340	−3 (5)
N323—C366—C367—C363	−3 (4)	C364—C363—C361—N322	164.5 (19)
N323—C365—C364—C363	−1 (4)	C364—C363—C361—N321	−13 (3)
N304—C307—C309—C313	−19 (3)	C364—C363—C367—C366	2 (3)
N304—C307—C309—C310	157.9 (19)	C315—C316—C308—N302	−2 (2)
N316—C344—N314—C342	−3 (3)	C315—C316—C308—N304	175.9 (17)
N317—C347—C346—C345	−5 (4)	C315—C316—C317—C318	−8 (3)
C345—C349—C348—N317	−3 (2)	C332—N312—C336—C335	5 (4)
N315—C342—C339—C338	−14 (4)	C321—C320—C319—N307	−1 (4)
N315—C342—C339—C340	167 (2)	C342—N315—C343—N316	−3 (3)
N318—C350—C351—C352	14 (6)	C342—N315—C343—C345	174.8 (17)
N322—C362—C370—C371	1 (3)	C342—C339—C338—C337	−174 (3)
N322—C362—C370—C369	−176.0 (19)	C342—C339—C340—C341	−179 (3)
N321—C360—C357—C356	−3 (3)	C325—N310—C326—N308	7 (3)
N321—C360—C357—C358	169.8 (18)	C325—N310—C326—C334	−171.3 (18)
C352—C344—N314—C342	−177.0 (18)	C325—N309—C324—N308	6 (3)
C352—C353—C354—N318	−3 (5)	C325—N309—C324—C321	−176 (2)
N308—C324—C321—C320	179 (2)	C325—C327—C328—C329	−178 (2)
N308—C324—C321—C322	−2 (3)	C325—C327—C331—C330	−176 (3)
C316—C317—C318—N306	4 (3)	C336—N312—C332—C333	−3 (4)
C308—N302—C306—C303	−173.4 (14)	C330—N311—C329—C328	2 (4)
C308—N302—C306—N303	1 (2)	C311—N305—C312—C313	1 (4)
C308—N304—C307—N303	1 (2)	C312—N305—C311—C310	1 (4)
C308—N304—C307—C309	−178.2 (15)	C312—C313—C309—C307	−178 (2)
C308—C316—C317—C318	176.7 (16)	C312—C313—C309—C310	5 (4)
C308—C316—C315—C314	−178 (2)	C301—N301—C305—C304	−2 (3)
N309—C324—C321—C320	1 (3)	C353—C352—C344—N316	20 (3)
N309—C324—C321—C322	180 (2)	C353—C352—C344—N314	−165 (2)
C362—N320—C360—N321	4 (3)	C353—C352—C351—C350	−6 (5)
C362—N320—C360—C357	−175.4 (16)	C331—C327—C328—C329	0 (4)
C362—N322—C361—N321	4 (3)	C331—C327—C325—N310	1 (3)
C362—N322—C361—C363	−173.3 (15)	C331—C327—C325—N309	180 (3)
C362—C370—C371—C372	−180 (2)	C347—N317—C348—C349	−1 (2)
C362—C370—C369—C368	177 (2)	C354—N318—C350—C351	−17 (6)
C349—C345—C343—N316	10 (2)	C338—C339—C340—C341	2 (4)
C349—C345—C343—N315	−167.8 (16)	C346—C345—C349—C348	3 (3)
C349—C345—C346—C347	1 (3)	C346—C345—C343—N316	−165.8 (18)
N324—C372—C371—C370	4 (4)	C346—C345—C343—N315	16 (3)
N324—C368—C369—C370	2 (4)	C341—N313—C337—C338	10 (5)
C306—N302—C308—N304	−1 (2)	C329—N311—C330—C331	4 (5)
C306—N302—C308—C316	177.6 (13)	C350—N318—C354—C353	11 (4)
C306—C303—C302—C301	175 (2)	C340—C339—C338—C337	4 (5)
C306—C303—C304—C305	−174.3 (16)	C351—C352—C344—N316	−158 (2)
C306—N303—C307—N304	−1 (2)	C351—C352—C344—N314	16 (3)
C306—N303—C307—C309	178.3 (14)	C351—C352—C353—C354	0 (5)
C334—C333—C332—N312	0 (4)	Zn43—N306—C318—C317	−170 (2)
C334—C335—C336—N312	−6 (4)	Zn43—N306—C314—C315	170 (2)
C326—N308—C324—N309	−4 (3)	Zn43—N307—C319—C320	−165 (3)
C326—N308—C324—C321	178.3 (19)	Zn43—N307—C323—C322	167 (3)
C326—N310—C325—N309	−4 (3)	Zn46^iv—N317—C348—C349	173.4 (14)
C326—N310—C325—C327	174.6 (18)	Zn46^iv—N317—C347—C346	−169 (2)
C326—C334—C333—C332	−179 (2)	Zn46—N324—C372—C371	179 (2)
C326—C334—C335—C336	−179 (2)	Zn46—N324—C368—C369	178 (2)
C303—C306—N303—C307	174.4 (14)	Zn45—N318—C354—C353	179 (2)
C303—C302—C301—N301	1 (4)	Zn45—N318—C350—C351	174 (3)
C303—C304—C305—N301	−2 (3)	Zn45—N319—C355—C356	179 (2)
N306—C314—C315—C316	−1 (4)	Zn45—N319—C359—C358	−177.0 (18)
C324—N308—C326—N310	−3 (3)	Zn55—N318—C354—C353	175 (4)
C324—N308—C326—C334	174.8 (18)	Zn55—N318—C350—C351	−175 (4)
C324—N309—C325—N310	−2 (3)	Zn55—N319—C355—C356	158 (5)
C324—N309—C325—C327	179.2 (19)	Zn55—N319—C359—C358	−148 (5)
C366—N323—C365—C364	0 (4)	C3A—C2A—C1A—C6A	0.0
C317—C316—C308—N302	172.6 (15)	C3A—C4A—C7A—C8A	−71 (3)
C317—C316—C308—N304	−9 (2)	C3A—C4A—C7A—C12A	104 (2)
C317—C316—C315—C314	7 (3)	C2A—C3A—C4A—C5A	0.0
C361—N322—C362—N320	−1 (3)	C2A—C3A—C4A—C7A	−178.5 (16)
C361—N322—C362—C370	175.9 (15)	C2A—C1A—C6A—C5A	0.0
C361—N321—C360—N320	−1 (3)	C1A—C6A—C5A—C4A	0.0
C361—N321—C360—C357	178.5 (16)	C1A—C6A—C5A—C13A	180 (2)
C361—C363—C367—C366	177.0 (19)	C6A—C5A—C4A—C3A	0.0
C361—C363—C364—C365	−175 (2)	C6A—C5A—C4A—C7A	178.4 (16)
C367—C363—C361—N322	−10 (3)	C6A—C5A—C13A—O1A	19 (3)
C367—C363—C361—N321	171.9 (18)	C5A—C4A—C7A—C8A	111 (2)
C367—C363—C364—C365	0 (4)	C5A—C4A—C7A—C12A	−75 (3)
C318—N306—C314—C315	−4 (4)	C4A—C3A—C2A—C1A	0.0
C344—N316—C343—C345	−175.1 (14)	C4A—C5A—C13A—O1A	−161.4 (18)
C344—N316—C343—N315	2 (2)	C4A—C7A—C8A—O2A	−5 (4)
C344—C352—C353—C354	−178 (2)	C4A—C7A—C8A—C9A	177 (2)
C344—C352—C351—C350	173 (3)	C4A—C7A—C12A—O3A	6 (4)
C344—N314—C342—N315	3 (3)	C4A—C7A—C12A—C11A	−176 (2)
C344—N314—C342—C339	−174.6 (19)	O2A—C8A—C9A—C10A	179 (3)
C327—C328—C329—N311	−4 (4)	C7A—C8A—C9A—C10A	−3 (5)
N305—C311—C310—C309	1 (4)	C8A—C7A—C12A—O3A	−180 (2)
N303—C306—C303—C302	8 (3)	C8A—C7A—C12A—C11A	−1 (4)
N303—C306—C303—C304	−172.9 (16)	C8A—C9A—C10A—C11A	2 (5)
N303—C307—C309—C313	161 (2)	C13A—C5A—C4A—C3A	−180 (2)
N303—C307—C309—C310	−22 (3)	C13A—C5A—C4A—C7A	−1 (2)
C302—C303—C304—C305	5 (3)	C10A—C11A—C12A—O3A	178 (3)
N307—C323—C322—C321	−1 (5)	C10A—C11A—C12A—C7A	0 (4)
N311—C330—C331—C327	−9 (6)	C12A—C7A—C8A—O2A	−179 (3)
C304—C303—C302—C301	−4 (4)	C12A—C7A—C8A—C9A	3 (4)
N314—C342—C339—C338	163 (3)	C12A—C11A—C10A—C9A	0 (5)
N314—C342—C339—C340	−15 (3)	C14A—O2A—C8A—C7A	−173 (3)
C307—N304—C308—N302	0 (2)	C14A—O2A—C8A—C9A	5 (4)
C307—N304—C308—C316	−178.4 (14)	C15A—O3A—C12A—C7A	178 (3)
C307—C309—C310—C311	179 (2)	C15A—O3A—C12A—C11A	−1 (4)
C348—N317—C347—C346	6 (3)	Zn32—N305—C311—C310	−177.7 (19)
C305—N301—C301—C302	3 (3)	Zn32—N305—C312—C313	179 (2)
C372—N324—C368—C369	0 (4)	Zn41—N301—C305—C304	169.7 (16)
C355—N319—C359—C358	3 (3)	Zn41—N301—C301—C302	−170 (2)
C355—C356—C357—C358	5 (4)	Zn41^v—N311—C330—C331	−176 (3)
C355—C356—C357—C360	179 (2)	Zn41^v—N311—C329—C328	−177 (2)
C371—C370—C369—C368	0 (4)	Zn51—N301—C305—C304	170 (3)
C360—N320—C362—N322	−3 (3)	Zn51—N301—C301—C302	−163 (5)
C360—N320—C362—C370	−179.6 (15)	Zn51^v—N311—C330—C331	−142 (5)
C360—N321—C361—N322	−4 (3)	Zn51^v—N311—C329—C328	139 (4)
C360—N321—C361—C363	173.9 (16)	Zn44—N312—C332—C333	−178.7 (19)
C313—C309—C310—C311	−4 (4)	Zn44—N312—C336—C335	−179 (2)
C359—N319—C355—C356	−1 (4)	Zn44—N313—C337—C338	−175 (3)
C359—C358—C357—C356	−3 (3)	Zn44—N313—C341—C340	−178 (3)
C359—C358—C357—C360	−176.4 (19)

Symmetry codes: (i) x+1/2, −y+2, z+1/2; (ii) x, y−1, z−1; (iii) x−1/2, −y+1, z−1/2; (iv) x−1/2, −y+2, z−1/2; (v) x+1/2, −y+1, z+1/2; (vi) x, y+1, z+1.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (50_5_96c)

Crystal data

C72H48I12N24Zn6·0.858(C15H16O3)·0.514(C6H12)	F(000) = 6401
Mr = 3417.24	Dx = 1.434 Mg m^−3
Monoclinic, P2/n	Cu Kα radiation, λ = 1.54184 Å
a = 31.4491 (6) Å	Cell parameters from 20990 reflections
b = 15.0235 (2) Å	θ = 2.7–74.3°
c = 34.2150 (5) Å	µ = 19.68 mm^−1
β = 101.680 (2)°	T = 100 K
V = 15831.0 (4) Å^3	Block, light yellow
Z = 4	0.41 × 0.24 × 0.11 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	28909 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	21863 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.060
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.1°
profile data from ω–scans	h = −37→37
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −18→18
Tmin = 0.043, Tmax = 0.244	l = −40→41
121588 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.080	H-atom parameters constrained
wR(F^2) = 0.260	w = 1/[σ^2(Fo^2) + (0.1331P)^2 + 80.7275P] where P = (Fo^2 + 2Fc^2)/3
S = 1.05	(Δ/σ)max = 0.002
28909 reflections	Δρmax = 1.30 e Å^−3
1618 parameters	Δρmin = −1.00 e Å^−3
719 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). Exchange site B was located over a two-fold symmetry axis and was modelled in PART -1. During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I411	0.41487 (12)	0.4957 (3)	0.1491 (3)	0.0723 (17)	0.41 (3)
I406	0.1231 (3)	0.8875 (6)	0.2624 (3)	0.117 (3)	0.47 (2)
I405	0.0658 (3)	0.9803 (6)	0.3656 (3)	0.159 (3)	0.47 (2)
I310	0.64109 (13)	−0.3963 (3)	0.27384 (17)	0.0814 (8)	0.5617
I301	0.2934 (3)	0.5171 (7)	0.9888 (3)	0.0657 (11)	0.3815
I303	0.4002 (2)	0.9950 (3)	0.6325 (2)	0.1205 (15)	0.554
I308	0.22265 (7)	0.03954 (13)	0.40119 (7)	0.0870 (5)	0.6432
I307	0.32860 (9)	0.03658 (16)	0.50780 (7)	0.0926 (6)	0.6432
I412	0.51585 (15)	0.3366 (6)	0.1031 (2)	0.0944 (19)	0.41 (3)
I309	0.56664 (9)	−0.49503 (15)	0.36553 (7)	0.0787 (6)	0.5617
I304	0.50365 (12)	0.8269 (5)	0.59840 (15)	0.1127 (13)	0.554
I302	0.1965 (3)	0.5960 (6)	0.8801 (3)	0.095 (2)	0.3815
Zn43	0.0922 (3)	0.8596 (7)	0.3245 (3)	0.102 (4)	0.47 (2)
Zn32	0.4328 (2)	0.8468 (4)	0.6204 (2)	0.103 (4)	0.554
Zn46	0.4468 (2)	0.3503 (6)	0.1300 (2)	0.060 (3)	0.41 (3)
Zn35	0.6033 (2)	−0.3753 (5)	0.3310 (3)	0.0622 (12)	0.5617
Zn34	0.29483 (10)	0.0971 (2)	0.43959 (10)	0.0663 (10)	0.6432
Zn31	0.2702 (3)	0.6123 (12)	0.9267 (3)	0.064 (3)	0.3815
N309	0.2711 (2)	0.6905 (4)	0.4614 (2)	0.0527 (16)
N308	0.3112 (2)	0.5579 (4)	0.4781 (2)	0.0560 (18)
N304	0.4640 (3)	0.5238 (5)	0.7711 (2)	0.0585 (18)
N316	0.4823 (2)	0.0171 (5)	0.2773 (2)	0.0579 (18)
N310	0.2511 (2)	0.5600 (4)	0.42340 (19)	0.0515 (16)
N305	0.5430 (3)	0.2417 (5)	0.8132 (2)	0.065 (2)
N314	0.4266 (3)	0.1009 (5)	0.2970 (2)	0.0606 (19)
N311	0.1395 (2)	0.7846 (4)	0.3624 (2)	0.065 (2)
N312	0.2907 (3)	0.2370 (5)	0.4409 (3)	0.073 (2)
N322	0.2544 (3)	0.0757 (4)	−0.0628 (2)	0.063 (2)
N315	0.4515 (3)	−0.0333 (5)	0.3314 (2)	0.065 (2)
N320	0.3117 (3)	0.0637 (5)	−0.0070 (2)	0.066 (2)
N318	0.4558 (3)	0.2682 (5)	0.1790 (2)	0.068 (2)
N321	0.2764 (3)	0.2015 (5)	−0.0225 (2)	0.065 (2)
N313	0.3388 (3)	0.0794 (5)	0.4035 (3)	0.071 (2)
N317	0.5574 (3)	−0.2734 (6)	0.3188 (3)	0.077 (2)
N303	0.4335 (3)	0.4761 (6)	0.8248 (2)	0.067 (2)
N323	0.1481 (3)	0.3051 (5)	−0.1258 (3)	0.075 (2)
N307	0.3875 (3)	0.7804 (5)	0.5765 (2)	0.076 (3)
N302	0.4076 (3)	0.6073 (5)	0.7897 (3)	0.074 (2)
N319	0.3993 (3)	0.2814 (5)	0.0899 (3)	0.080 (3)
N306	0.4345 (3)	0.7665 (5)	0.6691 (2)	0.073 (2)
N324	0.2795 (3)	−0.2519 (6)	−0.0567 (3)	0.078 (2)
C325	0.2467 (3)	0.6456 (5)	0.4317 (2)	0.0494 (19)
C343	0.4780 (3)	−0.0400 (6)	0.3063 (3)	0.063 (2)
C344	0.4552 (3)	0.0876 (5)	0.2744 (3)	0.057 (2)
C352	0.4564 (3)	0.1518 (6)	0.2412 (3)	0.062 (2)
C307	0.4598 (3)	0.4669 (6)	0.7999 (3)	0.058 (2)
C334	0.2870 (3)	0.4199 (5)	0.4450 (2)	0.0522 (19)
C321	0.3336 (3)	0.6929 (5)	0.5153 (2)	0.056 (2)
C308	0.4362 (3)	0.5935 (6)	0.7671 (3)	0.065 (2)
C309	0.4874 (3)	0.3847 (5)	0.8035 (2)	0.057 (2)
C324	0.3038 (3)	0.6446 (5)	0.4831 (2)	0.054 (2)
C326	0.2835 (3)	0.5192 (5)	0.4489 (3)	0.057 (2)
C327	0.2095 (3)	0.6950 (5)	0.4072 (3)	0.055 (2)
C320	0.3248 (3)	0.7781 (6)	0.5251 (3)	0.067 (3)
H320	0.300424	0.808576	0.510077	0.081*
C316	0.4364 (3)	0.6548 (6)	0.7337 (3)	0.063 (2)
C312	0.5387 (3)	0.2924 (6)	0.7807 (3)	0.061 (2)
H312	0.554793	0.278460	0.760855	0.073*
N301	0.3205 (4)	0.5956 (7)	0.8964 (3)	0.091 (3)
C345	0.5046 (3)	−0.1237 (6)	0.3095 (3)	0.061 (2)
C313	0.5112 (3)	0.3650 (6)	0.7755 (3)	0.063 (2)
H313	0.508913	0.401165	0.752370	0.075*
C361	0.2844 (3)	0.0292 (6)	−0.0368 (3)	0.062 (2)
C336	0.2672 (3)	0.2829 (6)	0.4116 (3)	0.066 (2)
H336	0.251936	0.251669	0.388877	0.079*
C363	0.2839 (3)	−0.0693 (6)	−0.0446 (3)	0.065 (2)
C331	0.1815 (3)	0.6529 (5)	0.3766 (3)	0.068 (3)
H331	0.185810	0.592119	0.370747	0.082*
C319	0.3514 (4)	0.8196 (6)	0.5566 (3)	0.072 (3)
H319	0.344020	0.877406	0.564312	0.087*
C348	0.5576 (3)	−0.2185 (7)	0.2894 (3)	0.070 (3)
H348	0.576247	−0.230334	0.271319	0.084*
C357	0.3388 (4)	0.1951 (6)	0.0307 (3)	0.073 (3)
C360	0.3070 (3)	0.1504 (6)	−0.0014 (3)	0.067 (2)
C339	0.3958 (3)	0.0523 (6)	0.3531 (3)	0.065 (2)
C335	0.2637 (3)	0.3744 (6)	0.4122 (3)	0.066 (2)
H335	0.245804	0.405478	0.390815	0.079*
O3A	0.2555 (4)	0.4749 (8)	0.1848 (3)	0.093 (4)	0.6629
C369	0.2093 (3)	0.3021 (6)	−0.0721 (3)	0.073 (3)
H369	0.228486	0.333222	−0.051691	0.088*
C370	0.2156 (3)	0.2134 (6)	−0.0782 (3)	0.064 (2)
O2A	0.3919 (4)	0.4275 (7)	0.2674 (3)	0.079 (3)	0.6629
C328	0.2018 (3)	0.7819 (6)	0.4146 (3)	0.072 (3)
H328	0.220903	0.813120	0.435093	0.086*
C350	0.4327 (3)	0.2843 (7)	0.2068 (4)	0.079 (3)
H350	0.415844	0.337200	0.204725	0.095*
C342	0.4269 (3)	0.0398 (6)	0.3260 (3)	0.066 (2)
C329	0.1666 (3)	0.8243 (6)	0.3925 (3)	0.081 (3)
H329	0.161214	0.884350	0.398695	0.097*
C353	0.4822 (4)	0.1383 (8)	0.2152 (3)	0.079 (3)
H353	0.501081	0.088398	0.218102	0.095*
C349	0.5310 (4)	−0.1416 (7)	0.2833 (3)	0.075 (3)
H349	0.531459	−0.103132	0.261401	0.090*
C351	0.4321 (4)	0.2277 (7)	0.2388 (3)	0.075 (3)
H351	0.415331	0.241277	0.258271	0.090*
C362	0.2514 (3)	0.1611 (6)	−0.0534 (3)	0.063 (2)
C322	0.3703 (4)	0.6510 (6)	0.5364 (3)	0.079 (3)
H322	0.376907	0.591425	0.530442	0.095*
O1A	0.2901 (4)	0.2633 (8)	0.3080 (3)	0.083 (3)	0.6629
H1A	0.286547	0.285428	0.329627	0.124*	0.6629
C358	0.3351 (4)	0.2844 (7)	0.0388 (3)	0.079 (3)
H358	0.311996	0.318094	0.023559	0.095*
C359	0.3642 (4)	0.3250 (7)	0.0683 (3)	0.083 (3)
H359	0.359959	0.385789	0.074078	0.099*
C333	0.3119 (4)	0.3708 (6)	0.4746 (3)	0.074 (3)
H333	0.328776	0.399974	0.497135	0.089*
C310	0.4908 (4)	0.3311 (8)	0.8361 (3)	0.078 (3)
H310	0.474261	0.343153	0.855918	0.093*
C332	0.3129 (4)	0.2806 (6)	0.4720 (3)	0.079 (3)
H332	0.329982	0.247872	0.493249	0.095*
C356	0.3730 (4)	0.1486 (7)	0.0534 (4)	0.089 (4)
H356	0.376345	0.086550	0.049621	0.107*
C306	0.4076 (4)	0.5482 (7)	0.8186 (3)	0.075 (3)
C330	0.1473 (3)	0.6993 (6)	0.3545 (3)	0.077 (3)
H330	0.128670	0.670272	0.332931	0.093*
C368	0.1755 (4)	0.3454 (7)	−0.0954 (3)	0.080 (3)
H368	0.171022	0.406370	−0.090169	0.096*
C355	0.4025 (4)	0.1949 (6)	0.0821 (4)	0.092 (4)
H355	0.426412	0.162952	0.096982	0.111*
C303	0.3769 (4)	0.5627 (8)	0.8460 (3)	0.080 (3)
C340	0.3608 (4)	0.1088 (8)	0.3419 (4)	0.088 (3)
H340	0.355790	0.139492	0.317073	0.105*
C354	0.4812 (5)	0.1980 (8)	0.1836 (3)	0.085 (3)
H354	0.499464	0.187521	0.165097	0.102*
C323	0.3975 (4)	0.6980 (6)	0.5666 (3)	0.085 (4)
H323	0.423575	0.671100	0.580443	0.102*
C365	0.3046 (4)	−0.2184 (7)	−0.0250 (4)	0.084 (3)
H365	0.321516	−0.257810	−0.006449	0.101*
C317	0.4688 (4)	0.6584 (8)	0.7145 (4)	0.083 (3)
H317	0.493480	0.621537	0.723026	0.100*
C364	0.3077 (4)	−0.1263 (7)	−0.0172 (3)	0.079 (3)
H364	0.325742	−0.104191	0.006432	0.095*
C338	0.4021 (4)	0.0121 (9)	0.3892 (3)	0.087 (3)
H338	0.426274	−0.026109	0.397501	0.105*
C337	0.3735 (4)	0.0269 (8)	0.4134 (3)	0.085 (3)
H337	0.378542	−0.001566	0.438707	0.102*
C311	0.5187 (4)	0.2588 (8)	0.8401 (4)	0.089 (4)
H311	0.520647	0.220509	0.862437	0.106*
C367	0.2587 (4)	−0.1046 (7)	−0.0778 (4)	0.087 (4)
H367	0.241935	−0.066980	−0.097386	0.104*
C341	0.3331 (4)	0.1186 (9)	0.3690 (4)	0.096 (4)
H341	0.308584	0.156460	0.361627	0.115*
C366	0.2578 (5)	−0.1961 (7)	−0.0830 (4)	0.089 (4)
H366	0.240526	−0.219778	−0.106802	0.107*
C372	0.1551 (4)	0.2204 (7)	−0.1312 (4)	0.101 (5)
H372	0.135971	0.191065	−0.152318	0.122*
C371	0.1880 (4)	0.1702 (7)	−0.1088 (4)	0.102 (5)
H371	0.191552	0.108903	−0.114278	0.122*
C318	0.4676 (5)	0.7154 (9)	0.6818 (4)	0.093 (4)
H318	0.491484	0.716518	0.668751	0.112*
C4A	0.3212 (5)	0.3567 (7)	0.2172 (4)	0.063 (3)	0.6629
C3A	0.3248 (4)	0.3291 (8)	0.1790 (3)	0.060 (3)	0.6629
H3A	0.328281	0.371858	0.159356	0.072*	0.6629
C347	0.5311 (5)	−0.2573 (9)	0.3433 (5)	0.111 (5)
H347	0.531152	−0.297378	0.364782	0.134*
C302	0.3824 (5)	0.5218 (9)	0.8819 (4)	0.104 (4)
H302	0.405291	0.480132	0.889751	0.125*
C301	0.3546 (6)	0.5413 (11)	0.9070 (4)	0.108 (5)
H301	0.359872	0.515247	0.932870	0.130*
C5A	0.3142 (5)	0.2948 (8)	0.2456 (4)	0.071 (4)	0.6629
C304	0.3433 (5)	0.6235 (10)	0.8360 (4)	0.110 (5)
H304	0.339664	0.655667	0.811642	0.132*
C346	0.5026 (5)	−0.1829 (8)	0.3392 (5)	0.105 (5)
H346	0.482884	−0.174739	0.356512	0.125*
C2A	0.3235 (4)	0.2391 (8)	0.1698 (4)	0.073 (4)	0.6629
H2A	0.327174	0.219958	0.144248	0.088*	0.6629
C7A	0.3241 (4)	0.4553 (7)	0.2263 (4)	0.069 (4)	0.6629
C1A	0.3167 (5)	0.1772 (9)	0.1977 (4)	0.077 (4)	0.6629
H1AA	0.314843	0.115641	0.191166	0.092*	0.6629
C6A	0.3126 (5)	0.2050 (8)	0.2350 (5)	0.079 (5)	0.6629
H6A	0.308528	0.161769	0.254185	0.095*	0.6629
C8A	0.3612 (5)	0.4889 (8)	0.2513 (5)	0.078 (4)	0.6629
C12A	0.2905 (5)	0.5137 (8)	0.2090 (4)	0.078 (4)	0.6629
C305	0.3153 (6)	0.6372 (11)	0.8615 (5)	0.126 (6)
H305	0.291684	0.677336	0.854012	0.152*
C11A	0.2948 (6)	0.6047 (8)	0.2177 (5)	0.091 (5)	0.6629
H11A	0.272133	0.644583	0.206417	0.109*	0.6629
C10A	0.3318 (6)	0.6368 (9)	0.2426 (5)	0.101 (6)	0.6629
H10A	0.334232	0.698619	0.248490	0.121*	0.6629
C9A	0.3654 (6)	0.5800 (9)	0.2592 (5)	0.097 (6)	0.6629
H9A	0.390947	0.602818	0.275826	0.117*	0.6629
C13A	0.3104 (7)	0.3271 (11)	0.2869 (5)	0.092 (5)	0.6629
H13A	0.339808	0.340416	0.302567	0.110*	0.6629
H13B	0.293396	0.382954	0.284272	0.110*	0.6629
C314	0.3977 (5)	0.7511 (13)	0.6830 (5)	0.092 (5)	0.675 (14)
H314	0.371304	0.777049	0.669453	0.110*	0.675 (14)
C15A	0.2176 (7)	0.5285 (15)	0.1706 (6)	0.113 (8)	0.6629
H15A	0.208351	0.556755	0.193377	0.169*	0.6629
H15B	0.194075	0.490746	0.156333	0.169*	0.6629
H15C	0.224394	0.574560	0.152567	0.169*	0.6629
C315	0.3974 (5)	0.7000 (14)	0.7156 (5)	0.091 (5)	0.675 (14)
H315	0.371781	0.694434	0.726217	0.109*	0.675 (14)
C14A	0.4304 (6)	0.4595 (17)	0.2922 (9)	0.149 (11)	0.6629
H14A	0.423005	0.504170	0.310660	0.223*	0.6629
H14B	0.449048	0.486622	0.275771	0.223*	0.6629
H14C	0.445844	0.409977	0.307529	0.223*	0.6629
I403	0.3936 (3)	0.9881 (4)	0.6392 (3)	0.149 (4)	0.446
Zn42	0.43085 (19)	0.8485 (5)	0.6196 (2)	0.069 (3)	0.446
I404	0.5032 (2)	0.8430 (7)	0.59771 (18)	0.171 (4)	0.446
I305	0.06127 (10)	0.9641 (3)	0.37319 (16)	0.0887 (13)	0.53 (2)
Zn33	0.08944 (17)	0.8543 (5)	0.3274 (2)	0.0582 (18)	0.53 (2)
I306	0.1166 (2)	0.8962 (4)	0.26651 (17)	0.0852 (12)	0.53 (2)
I409	0.56270 (16)	−0.4764 (2)	0.38289 (14)	0.1154 (14)	0.4013
Zn45	0.5994 (4)	−0.3745 (8)	0.3399 (4)	0.080 (3)	0.4013
I410	0.6290 (2)	−0.4137 (5)	0.2787 (3)	0.1021 (19)	0.4013
I311	0.41688 (19)	0.4927 (3)	0.1401 (3)	0.124 (2)	0.59 (3)
Zn36	0.4493 (2)	0.3437 (5)	0.1276 (2)	0.095 (3)	0.59 (3)
I312	0.51596 (18)	0.3216 (7)	0.0984 (3)	0.138 (2)	0.59 (3)
I401	0.3023 (3)	0.5258 (6)	0.9962 (2)	0.086 (3)	0.3544
Zn41	0.2757 (3)	0.6139 (10)	0.9327 (3)	0.067 (4)	0.3544
I402	0.20030 (19)	0.5937 (5)	0.8894 (2)	0.0776 (18)	0.3544
I501	0.3262 (4)	0.5370 (7)	1.0096 (3)	0.183 (6)	0.264
I502	0.2167 (3)	0.5638 (4)	0.9063 (3)	0.177 (4)	0.264
Zn51	0.2911 (5)	0.6098 (11)	0.9443 (4)	0.149 (9)	0.264
I509	0.5883 (8)	−0.4962 (15)	0.3514 (7)	0.080*	0.037
I510	0.6407 (9)	−0.3719 (18)	0.2546 (7)	0.080*	0.037
Zn55	0.6094 (11)	−0.357 (2)	0.3165 (11)	0.080*	0.037
O3B	0.2904 (13)	0.828 (3)	0.8186 (13)	0.121 (13)	0.1951
C7B	0.2244 (11)	0.8318 (19)	0.7724 (9)	0.119 (11)	0.1951
C12B	0.2530 (11)	0.875 (2)	0.8026 (10)	0.119 (13)	0.1951
C11B	0.2414 (15)	0.957 (2)	0.8170 (11)	0.129 (15)	0.1951
H11B	0.261035	0.986372	0.837631	0.154*	0.1951
C10B	0.2012 (17)	0.994 (2)	0.8012 (13)	0.137 (16)	0.1951
H10B	0.193286	1.049346	0.811104	0.164*	0.1951
C9B	0.1725 (13)	0.950 (3)	0.7711 (13)	0.129 (15)	0.1951
H9B	0.145033	0.975856	0.760298	0.154*	0.1951
C8B	0.1841 (11)	0.869 (2)	0.7566 (10)	0.126 (13)	0.1951
O2B	0.1610 (16)	0.820 (3)	0.7251 (14)	0.148 (16)	0.1951
C14B	0.128 (4)	0.865 (6)	0.697 (3)	0.20 (4)	0.1951
H14D	0.114359	0.910449	0.710486	0.298*	0.1951
H14E	0.106484	0.821894	0.684011	0.298*	0.1951
H14F	0.141656	0.893446	0.676473	0.298*	0.1951
C414	0.4230 (12)	0.7974 (19)	0.7028 (7)	0.092 (5)	0.325 (14)
H414	0.413886	0.857563	0.703415	0.110*	0.325 (14)
C415	0.4239 (12)	0.7461 (16)	0.7357 (8)	0.091 (5)	0.325 (14)
H415	0.416498	0.770021	0.759170	0.109*	0.325 (14)
Zn44	0.2908 (4)	0.1008 (5)	0.4356 (3)	0.168 (6)	0.3323
I407	0.3237 (4)	0.0416 (5)	0.5042 (3)	0.258 (6)	0.3323
I408	0.2156 (3)	0.0538 (4)	0.4014 (3)	0.251 (5)	0.3323
I508	0.2195 (12)	0.063 (4)	0.4145 (13)	0.080*	0.0245
I507	0.3544 (12)	0.045 (3)	0.5024 (10)	0.080*	0.0245
Zn54	0.2983 (10)	0.0992 (12)	0.4432 (9)	0.080*	0.0245
O1B	0.2414 (18)	0.837 (4)	0.6827 (15)	0.139 (19)	0.1951
H1B	0.232315	0.884662	0.690548	0.208*	0.1951
C13B	0.2772 (15)	0.805 (3)	0.7117 (13)	0.108 (13)	0.1951
H13C	0.288214	0.853289	0.730900	0.130*	0.1951
H13D	0.301015	0.786321	0.698575	0.130*	0.1951
C1B	0.2615 (18)	0.5695 (17)	0.7456 (13)	0.095 (12)	0.1951
H1BA	0.270769	0.511058	0.740681	0.114*	0.1951
C2B	0.2340 (18)	0.5827 (18)	0.7721 (12)	0.096 (12)	0.1951
H2B	0.224423	0.533279	0.785365	0.116*	0.1951
C3B	0.2205 (15)	0.668 (2)	0.7793 (11)	0.102 (11)	0.1951
H3B	0.201712	0.677200	0.797445	0.122*	0.1951
C4B	0.2346 (14)	0.7405 (17)	0.7599 (11)	0.107 (10)	0.1951
C5B	0.2621 (12)	0.7273 (18)	0.7334 (10)	0.096 (9)	0.1951
C6B	0.2756 (14)	0.642 (2)	0.7262 (10)	0.098 (11)	0.1951
H6B	0.294404	0.632760	0.708076	0.117*	0.1951
C15B	0.324 (2)	0.874 (5)	0.846 (3)	0.17 (3)	0.1951
H15D	0.310414	0.908893	0.864682	0.259*	0.1951
H15E	0.339365	0.913978	0.831293	0.259*	0.1951
H15F	0.343869	0.830599	0.860957	0.259*	0.1951
C807	0.3784 (9)	0.714 (2)	0.3558 (9)	0.080*	0.2559
H80A	0.396487	0.711911	0.335293	0.096*	0.2559
H80B	0.374130	0.651624	0.364107	0.096*	0.2559
C812	0.3345 (9)	0.755 (3)	0.3381 (7)	0.080*	0.2559
H81A	0.319043	0.715965	0.316491	0.096*	0.2559
H81B	0.339250	0.813095	0.326071	0.096*	0.2559
C811	0.3056 (8)	0.769 (3)	0.3686 (9)	0.080*	0.2559
H81C	0.296068	0.710502	0.376948	0.096*	0.2559
H81D	0.279459	0.803028	0.356043	0.096*	0.2559
C810	0.3298 (9)	0.820 (2)	0.4054 (9)	0.080*	0.2559
H81E	0.335178	0.881477	0.397821	0.096*	0.2559
H81F	0.311586	0.821496	0.425813	0.096*	0.2559
C809	0.3731 (9)	0.774 (3)	0.4229 (7)	0.080*	0.2559
H80C	0.367598	0.714214	0.432572	0.096*	0.2559
H80D	0.388588	0.809326	0.446007	0.096*	0.2559
C808	0.4018 (8)	0.767 (3)	0.3918 (9)	0.080*	0.2559
H80E	0.408702	0.826986	0.383103	0.096*	0.2559
H80F	0.429411	0.736868	0.403771	0.096*	0.2559
C804	0.4856 (19)	0.256 (3)	0.5466 (15)	0.19 (2)	0.2583
H80G	0.503447	0.253209	0.573944	0.222*	0.2583
H80H	0.473396	0.316323	0.541942	0.222*	0.2583
C803	0.514 (2)	0.235 (3)	0.5162 (15)	0.19 (2)	0.2583
H80I	0.496572	0.242021	0.488848	0.232*	0.2583
H80J	0.538354	0.278025	0.519598	0.232*	0.2583
C802	0.5322 (16)	0.140 (4)	0.5215 (14)	0.19 (2)	0.2583
H80K	0.549727	0.128141	0.501126	0.233*	0.2583
H80L	0.551342	0.134367	0.548161	0.233*	0.2583
C801	0.495 (2)	0.072 (3)	0.5174 (13)	0.20 (2)	0.2583
H80M	0.477906	0.073549	0.489893	0.237*	0.2583
H80N	0.507720	0.011552	0.522516	0.237*	0.2583
C806	0.466 (2)	0.092 (3)	0.5470 (16)	0.20 (2)	0.2583
H80O	0.482782	0.083620	0.574567	0.244*	0.2583
H80P	0.441421	0.050070	0.542638	0.244*	0.2583
C805	0.4487 (15)	0.188 (4)	0.5425 (15)	0.19 (2)	0.2583
H80Q	0.431366	0.199385	0.563087	0.233*	0.2583
H80R	0.429248	0.194406	0.515970	0.233*	0.2583

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I411	0.072 (3)	0.0464 (15)	0.081 (2)	−0.0083 (10)	−0.0246 (17)	−0.0076 (11)
I406	0.085 (3)	0.094 (3)	0.166 (4)	0.029 (2)	0.014 (2)	0.065 (2)
I405	0.189 (5)	0.042 (2)	0.181 (4)	0.0223 (19)	−0.117 (4)	−0.040 (2)
I310	0.0659 (16)	0.072 (2)	0.0952 (12)	−0.0040 (11)	−0.0090 (13)	−0.0286 (13)
I301	0.0781 (15)	0.0384 (17)	0.0787 (18)	0.0062 (11)	0.0114 (12)	0.0043 (12)
I303	0.190 (3)	0.0428 (14)	0.0864 (15)	−0.0215 (15)	−0.0729 (17)	0.0047 (10)
I308	0.0845 (9)	0.0344 (8)	0.1396 (14)	−0.0062 (6)	0.0170 (9)	0.0117 (8)
I307	0.1391 (14)	0.0598 (12)	0.0814 (9)	0.0425 (9)	0.0283 (11)	0.0367 (8)
I412	0.074 (3)	0.126 (3)	0.082 (2)	−0.0291 (17)	0.0128 (15)	−0.012 (2)
I309	0.0879 (11)	0.0392 (9)	0.0947 (13)	0.0024 (7)	−0.0157 (10)	0.0042 (7)
I304	0.0986 (19)	0.147 (2)	0.087 (2)	−0.0678 (17)	0.0040 (14)	−0.0101 (16)
I302	0.094 (3)	0.054 (2)	0.113 (4)	−0.0036 (15)	−0.034 (2)	−0.004 (2)
Zn43	0.111 (7)	0.040 (4)	0.117 (6)	−0.006 (3)	−0.068 (4)	0.016 (3)
Zn32	0.172 (7)	0.041 (4)	0.064 (5)	−0.027 (4)	−0.053 (4)	0.013 (3)
Zn46	0.058 (4)	0.056 (5)	0.059 (4)	−0.008 (3)	−0.005 (3)	0.011 (3)
Zn35	0.061 (2)	0.039 (2)	0.068 (3)	0.0061 (16)	−0.0303 (16)	−0.0101 (15)
Zn34	0.0855 (16)	0.0323 (19)	0.0813 (18)	0.0096 (13)	0.0171 (15)	0.0182 (14)
Zn31	0.070 (4)	0.039 (4)	0.077 (4)	0.006 (3)	−0.004 (3)	−0.005 (3)
N309	0.063 (4)	0.025 (3)	0.061 (4)	−0.002 (3)	−0.010 (3)	0.007 (3)
N308	0.066 (4)	0.031 (3)	0.057 (4)	0.002 (3)	−0.021 (3)	0.005 (3)
N304	0.068 (4)	0.043 (4)	0.055 (4)	0.004 (3)	−0.011 (3)	0.008 (3)
N316	0.058 (4)	0.036 (4)	0.067 (4)	0.004 (3)	−0.016 (3)	0.003 (3)
N310	0.061 (4)	0.031 (3)	0.051 (3)	0.002 (3)	−0.015 (3)	0.007 (3)
N305	0.058 (4)	0.046 (4)	0.075 (5)	−0.001 (3)	−0.025 (4)	0.005 (4)
N314	0.062 (4)	0.049 (4)	0.059 (4)	0.005 (3)	−0.014 (4)	−0.004 (3)
N311	0.058 (4)	0.029 (3)	0.089 (5)	−0.005 (3)	−0.031 (4)	0.002 (3)
N312	0.101 (6)	0.032 (4)	0.081 (5)	0.009 (4)	0.008 (5)	0.003 (4)
N322	0.076 (5)	0.030 (3)	0.070 (4)	−0.004 (3)	−0.015 (4)	0.006 (3)
N315	0.065 (5)	0.050 (4)	0.067 (4)	0.002 (3)	−0.014 (4)	−0.010 (3)
N320	0.076 (5)	0.031 (4)	0.077 (5)	−0.003 (3)	−0.021 (4)	0.010 (3)
N318	0.074 (5)	0.057 (5)	0.060 (4)	0.007 (4)	−0.015 (4)	0.005 (4)
N321	0.073 (5)	0.034 (4)	0.069 (4)	−0.005 (3)	−0.027 (4)	0.015 (3)
N313	0.095 (6)	0.043 (4)	0.074 (5)	−0.004 (4)	0.012 (4)	0.004 (4)
N317	0.067 (5)	0.061 (5)	0.090 (6)	0.009 (4)	−0.014 (5)	0.008 (5)
N303	0.074 (5)	0.061 (5)	0.058 (4)	0.005 (4)	−0.002 (4)	0.009 (4)
N323	0.077 (5)	0.038 (4)	0.090 (6)	−0.005 (4)	−0.028 (4)	0.009 (4)
N307	0.101 (6)	0.039 (4)	0.064 (4)	−0.014 (4)	−0.042 (4)	0.011 (3)
N302	0.101 (7)	0.052 (5)	0.068 (5)	0.020 (4)	0.013 (5)	0.016 (4)
N319	0.097 (6)	0.042 (4)	0.081 (5)	−0.006 (4)	−0.027 (5)	0.019 (4)
N306	0.101 (6)	0.048 (4)	0.055 (4)	0.001 (4)	−0.023 (4)	0.010 (3)
N324	0.087 (6)	0.045 (5)	0.098 (6)	0.003 (4)	0.009 (5)	−0.003 (4)
C325	0.056 (4)	0.027 (4)	0.054 (4)	−0.004 (3)	−0.016 (3)	0.010 (3)
C343	0.063 (5)	0.050 (5)	0.061 (5)	−0.001 (4)	−0.023 (4)	−0.001 (4)
C344	0.061 (5)	0.040 (4)	0.057 (5)	0.001 (4)	−0.022 (4)	−0.005 (3)
C352	0.074 (6)	0.035 (4)	0.066 (5)	0.003 (4)	−0.013 (5)	−0.002 (4)
C307	0.062 (5)	0.049 (5)	0.055 (5)	0.005 (4)	−0.009 (4)	0.009 (4)
C334	0.064 (5)	0.033 (4)	0.051 (4)	0.000 (3)	−0.009 (4)	0.007 (3)
C321	0.061 (5)	0.040 (4)	0.053 (4)	−0.008 (4)	−0.018 (4)	0.006 (3)
C308	0.079 (6)	0.051 (5)	0.058 (5)	0.009 (4)	−0.001 (5)	0.010 (4)
C309	0.066 (5)	0.040 (4)	0.053 (4)	−0.003 (4)	−0.018 (4)	0.004 (3)
C324	0.062 (5)	0.031 (4)	0.055 (4)	−0.004 (3)	−0.020 (4)	0.006 (3)
C326	0.074 (6)	0.033 (4)	0.054 (4)	−0.006 (4)	−0.008 (4)	0.003 (3)
C327	0.059 (5)	0.034 (4)	0.061 (5)	0.001 (3)	−0.015 (4)	0.012 (3)
C320	0.086 (6)	0.038 (4)	0.060 (5)	−0.002 (4)	−0.029 (5)	0.008 (4)
C316	0.081 (6)	0.044 (5)	0.053 (5)	0.011 (4)	−0.012 (4)	0.005 (4)
C312	0.060 (5)	0.050 (5)	0.064 (5)	−0.003 (4)	−0.009 (4)	−0.004 (4)
N301	0.116 (8)	0.064 (6)	0.101 (7)	0.019 (6)	0.038 (6)	0.006 (5)
C345	0.057 (5)	0.038 (4)	0.078 (6)	0.005 (4)	−0.012 (4)	0.002 (4)
C313	0.071 (6)	0.045 (5)	0.064 (5)	0.001 (4)	−0.003 (4)	0.005 (4)
C361	0.076 (6)	0.031 (4)	0.070 (5)	−0.005 (4)	−0.011 (4)	0.004 (4)
C336	0.084 (6)	0.042 (5)	0.063 (5)	−0.003 (4)	−0.006 (5)	0.004 (4)
C363	0.075 (6)	0.044 (5)	0.065 (5)	0.001 (4)	−0.009 (4)	0.008 (4)
C331	0.083 (6)	0.025 (4)	0.080 (6)	0.003 (4)	−0.025 (5)	−0.003 (4)
C319	0.095 (7)	0.044 (5)	0.059 (5)	−0.010 (5)	−0.027 (5)	0.010 (4)
C348	0.068 (6)	0.054 (5)	0.074 (6)	0.005 (4)	−0.017 (5)	−0.011 (5)
C357	0.084 (7)	0.039 (5)	0.077 (6)	−0.004 (4)	−0.025 (5)	0.012 (4)
C360	0.078 (6)	0.042 (5)	0.067 (5)	0.001 (4)	−0.014 (5)	0.012 (4)
C339	0.073 (6)	0.047 (5)	0.067 (5)	0.002 (4)	−0.006 (5)	−0.002 (4)
C335	0.072 (6)	0.043 (5)	0.070 (5)	−0.007 (4)	−0.012 (4)	0.003 (4)
O3A	0.133 (10)	0.077 (7)	0.065 (6)	0.057 (7)	0.008 (6)	0.016 (5)
C369	0.078 (6)	0.047 (5)	0.079 (6)	0.002 (4)	−0.021 (5)	0.001 (4)
C370	0.067 (5)	0.039 (4)	0.069 (5)	−0.001 (4)	−0.026 (4)	0.014 (4)
O2A	0.082 (7)	0.057 (6)	0.099 (8)	−0.020 (5)	0.023 (6)	−0.011 (5)
C328	0.061 (5)	0.039 (5)	0.093 (7)	−0.002 (4)	−0.038 (5)	−0.007 (4)
C350	0.064 (6)	0.057 (6)	0.098 (8)	0.003 (5)	−0.026 (6)	0.020 (5)
C342	0.070 (6)	0.052 (5)	0.062 (5)	−0.002 (4)	−0.021 (4)	−0.004 (4)
C329	0.074 (6)	0.041 (5)	0.103 (8)	0.005 (4)	−0.040 (6)	−0.005 (5)
C353	0.096 (8)	0.063 (6)	0.070 (6)	0.020 (6)	0.000 (6)	0.014 (5)
C349	0.085 (7)	0.056 (6)	0.067 (6)	0.008 (5)	−0.025 (5)	0.001 (4)
C351	0.072 (6)	0.069 (7)	0.074 (6)	0.008 (5)	−0.009 (5)	0.016 (5)
C362	0.070 (6)	0.045 (5)	0.061 (5)	0.000 (4)	−0.017 (4)	0.013 (4)
C322	0.091 (7)	0.036 (5)	0.084 (6)	0.002 (4)	−0.047 (6)	−0.005 (4)
O1A	0.070 (6)	0.084 (8)	0.086 (7)	0.006 (6)	−0.003 (6)	0.044 (6)
C358	0.089 (7)	0.048 (5)	0.082 (6)	0.003 (5)	−0.026 (6)	0.007 (5)
C359	0.099 (8)	0.041 (5)	0.087 (7)	0.001 (5)	−0.033 (6)	0.006 (5)
C333	0.103 (8)	0.043 (5)	0.063 (5)	0.009 (5)	−0.015 (5)	0.001 (4)
C310	0.078 (7)	0.073 (7)	0.079 (6)	0.019 (5)	0.008 (5)	0.028 (5)
C332	0.119 (9)	0.037 (5)	0.066 (6)	0.014 (5)	−0.017 (6)	0.010 (4)
C356	0.088 (7)	0.036 (5)	0.117 (9)	0.000 (5)	−0.041 (7)	0.013 (5)
C306	0.091 (7)	0.064 (6)	0.065 (6)	0.022 (5)	0.001 (5)	0.004 (5)
C330	0.077 (6)	0.047 (5)	0.085 (6)	0.002 (4)	−0.035 (5)	−0.010 (5)
C368	0.082 (7)	0.041 (5)	0.097 (7)	0.000 (4)	−0.030 (6)	0.007 (5)
C355	0.102 (8)	0.038 (5)	0.105 (8)	0.002 (5)	−0.054 (7)	0.016 (5)
C303	0.099 (8)	0.063 (6)	0.079 (7)	0.013 (6)	0.020 (6)	0.006 (5)
C340	0.104 (9)	0.077 (8)	0.079 (7)	0.020 (6)	0.009 (7)	0.027 (6)
C354	0.123 (10)	0.066 (7)	0.064 (6)	0.019 (7)	0.010 (6)	0.011 (5)
C323	0.092 (7)	0.040 (5)	0.093 (7)	−0.006 (5)	−0.053 (6)	0.002 (5)
C365	0.101 (8)	0.044 (5)	0.098 (8)	0.010 (5)	−0.004 (7)	0.019 (5)
C317	0.077 (7)	0.073 (7)	0.091 (7)	0.021 (6)	−0.003 (6)	0.039 (6)
C364	0.094 (8)	0.050 (6)	0.081 (6)	0.005 (5)	−0.016 (6)	0.003 (5)
C338	0.096 (8)	0.090 (8)	0.070 (6)	0.025 (7)	0.003 (6)	0.019 (6)
C337	0.100 (9)	0.079 (8)	0.068 (6)	0.012 (7)	−0.004 (6)	0.006 (5)
C311	0.101 (9)	0.069 (7)	0.093 (8)	0.028 (6)	0.012 (7)	0.038 (6)
C367	0.114 (9)	0.041 (5)	0.088 (7)	−0.007 (5)	−0.023 (6)	−0.003 (5)
C341	0.091 (8)	0.080 (8)	0.117 (10)	0.028 (7)	0.022 (8)	0.030 (7)
C366	0.125 (10)	0.050 (6)	0.084 (7)	−0.001 (6)	0.000 (7)	−0.006 (5)
C372	0.109 (9)	0.053 (6)	0.108 (9)	0.005 (6)	−0.060 (7)	−0.006 (6)
C371	0.127 (10)	0.035 (5)	0.105 (8)	0.004 (5)	−0.068 (8)	0.003 (5)
C318	0.099 (9)	0.085 (8)	0.091 (8)	0.008 (7)	0.008 (7)	0.037 (7)
C4A	0.063 (7)	0.029 (6)	0.092 (9)	0.002 (5)	0.004 (7)	0.006 (6)
C3A	0.045 (6)	0.052 (7)	0.071 (8)	0.010 (5)	−0.017 (6)	−0.001 (6)
C347	0.132 (12)	0.069 (8)	0.129 (11)	0.036 (8)	0.016 (10)	0.051 (8)
C302	0.122 (11)	0.082 (9)	0.116 (10)	0.029 (8)	0.044 (9)	0.034 (8)
C301	0.139 (13)	0.107 (11)	0.092 (9)	0.017 (10)	0.052 (9)	0.023 (8)
C5A	0.067 (8)	0.057 (8)	0.084 (9)	−0.001 (6)	0.002 (7)	0.014 (7)
C304	0.124 (11)	0.112 (11)	0.098 (9)	0.052 (9)	0.034 (9)	0.031 (8)
C346	0.122 (11)	0.067 (8)	0.130 (11)	0.036 (7)	0.038 (9)	0.040 (8)
C2A	0.050 (7)	0.061 (9)	0.097 (10)	0.004 (6)	−0.009 (7)	−0.023 (8)
C7A	0.102 (10)	0.033 (6)	0.074 (8)	0.008 (7)	0.022 (8)	0.007 (6)
C1A	0.057 (8)	0.045 (8)	0.112 (12)	−0.002 (6)	−0.024 (8)	−0.008 (8)
C6A	0.051 (7)	0.051 (8)	0.123 (13)	−0.001 (6)	−0.009 (8)	0.028 (8)
C8A	0.110 (12)	0.037 (7)	0.097 (10)	−0.016 (7)	0.045 (9)	−0.004 (7)
C12A	0.126 (13)	0.049 (8)	0.062 (8)	0.024 (8)	0.027 (8)	0.020 (6)
C305	0.153 (15)	0.109 (12)	0.133 (13)	0.055 (11)	0.067 (12)	0.034 (10)
C11A	0.156 (16)	0.051 (9)	0.073 (9)	0.029 (10)	0.042 (10)	0.021 (7)
C10A	0.185 (19)	0.050 (9)	0.083 (11)	−0.002 (11)	0.066 (12)	0.008 (8)
C9A	0.148 (16)	0.065 (10)	0.095 (11)	−0.027 (10)	0.063 (12)	−0.011 (9)
C13A	0.119 (14)	0.061 (10)	0.090 (11)	−0.013 (9)	0.010 (10)	0.026 (8)
C314	0.070 (10)	0.103 (13)	0.095 (11)	0.027 (8)	0.003 (7)	0.052 (10)
C15A	0.138 (18)	0.116 (16)	0.089 (12)	0.086 (14)	0.033 (12)	0.041 (11)
C315	0.074 (10)	0.112 (14)	0.081 (9)	0.028 (9)	0.001 (7)	0.043 (9)
C14A	0.077 (13)	0.098 (17)	0.27 (3)	−0.022 (12)	0.022 (17)	−0.06 (2)
I403	0.228 (7)	0.043 (2)	0.122 (5)	0.030 (3)	−0.092 (4)	−0.014 (2)
Zn42	0.073 (3)	0.065 (6)	0.053 (5)	−0.028 (3)	−0.026 (3)	0.015 (4)
I404	0.208 (6)	0.218 (7)	0.064 (2)	−0.140 (5)	−0.028 (2)	0.012 (3)
I305	0.071 (2)	0.0392 (13)	0.139 (2)	0.0064 (8)	−0.0168 (19)	−0.0268 (12)
Zn33	0.038 (2)	0.035 (3)	0.089 (4)	−0.0028 (16)	−0.017 (2)	0.003 (2)
I306	0.0510 (13)	0.0719 (18)	0.119 (2)	0.0036 (15)	−0.0147 (15)	0.0502 (14)
I409	0.124 (2)	0.0476 (17)	0.161 (4)	0.0062 (15)	−0.004 (3)	0.0272 (19)
Zn45	0.085 (4)	0.042 (3)	0.096 (7)	−0.003 (3)	−0.023 (3)	−0.004 (4)
I410	0.094 (4)	0.074 (3)	0.117 (4)	−0.004 (2)	−0.030 (3)	−0.038 (2)
I311	0.181 (4)	0.0387 (11)	0.111 (3)	−0.0147 (12)	−0.071 (2)	−0.0006 (11)
Zn36	0.127 (6)	0.048 (3)	0.079 (4)	−0.020 (3)	−0.051 (3)	0.014 (2)
I312	0.164 (4)	0.137 (3)	0.103 (3)	−0.049 (2)	−0.0005 (19)	0.027 (3)
I401	0.130 (8)	0.044 (3)	0.103 (6)	0.023 (5)	0.065 (5)	0.018 (4)
Zn41	0.087 (7)	0.041 (5)	0.084 (6)	0.000 (6)	0.043 (6)	−0.005 (6)
I402	0.079 (3)	0.051 (3)	0.105 (4)	−0.014 (2)	0.024 (3)	−0.028 (3)
I501	0.333 (16)	0.079 (5)	0.173 (8)	0.101 (8)	0.138 (10)	0.074 (5)
I502	0.231 (10)	0.065 (4)	0.247 (10)	−0.053 (4)	0.076 (7)	−0.034 (4)
Zn51	0.27 (2)	0.027 (4)	0.169 (14)	−0.004 (9)	0.088 (14)	0.000 (6)
O3B	0.15 (3)	0.11 (3)	0.10 (3)	−0.03 (2)	0.02 (2)	0.00 (2)
C7B	0.15 (2)	0.123 (19)	0.09 (2)	−0.023 (18)	0.028 (17)	0.013 (17)
C12B	0.15 (3)	0.12 (2)	0.09 (2)	−0.02 (2)	0.030 (19)	0.010 (18)
C11B	0.17 (3)	0.13 (3)	0.08 (3)	−0.01 (2)	0.02 (2)	0.01 (2)
C10B	0.17 (3)	0.14 (3)	0.09 (3)	0.00 (2)	0.01 (2)	−0.01 (2)
C9B	0.17 (3)	0.13 (3)	0.09 (3)	−0.01 (2)	0.02 (2)	0.00 (2)
C8B	0.15 (3)	0.12 (2)	0.10 (2)	−0.01 (2)	0.020 (19)	0.000 (19)
O2B	0.17 (3)	0.12 (3)	0.14 (3)	0.00 (3)	−0.01 (2)	−0.02 (2)
C14B	0.22 (6)	0.14 (6)	0.19 (5)	−0.01 (5)	−0.07 (5)	−0.02 (4)
C414	0.070 (10)	0.103 (13)	0.095 (11)	0.027 (8)	0.003 (7)	0.052 (10)
C415	0.074 (10)	0.112 (14)	0.081 (9)	0.028 (9)	0.001 (7)	0.043 (9)
Zn44	0.318 (13)	0.019 (4)	0.205 (10)	−0.008 (5)	0.142 (9)	−0.013 (5)
I407	0.511 (15)	0.093 (4)	0.251 (7)	0.163 (6)	0.268 (8)	0.117 (4)
I408	0.301 (9)	0.077 (3)	0.440 (12)	−0.100 (4)	0.230 (8)	−0.118 (5)
O1B	0.14 (3)	0.19 (5)	0.08 (3)	0.03 (4)	0.03 (3)	0.04 (3)
C13B	0.12 (3)	0.13 (2)	0.07 (2)	−0.03 (2)	−0.007 (19)	−0.01 (2)
C1B	0.08 (3)	0.12 (2)	0.07 (3)	−0.02 (2)	−0.02 (2)	0.00 (2)
C2B	0.08 (2)	0.12 (2)	0.08 (3)	−0.02 (2)	−0.02 (2)	0.01 (2)
C3B	0.09 (3)	0.12 (2)	0.09 (2)	−0.01 (2)	−0.011 (19)	0.01 (2)
C4B	0.11 (2)	0.124 (18)	0.08 (2)	−0.023 (19)	−0.009 (15)	0.007 (16)
C5B	0.09 (2)	0.12 (2)	0.062 (18)	−0.034 (18)	−0.028 (13)	−0.008 (16)
C6B	0.08 (2)	0.12 (2)	0.07 (2)	−0.034 (19)	−0.025 (17)	−0.009 (18)
C15B	0.19 (4)	0.19 (6)	0.12 (4)	−0.07 (4)	−0.01 (4)	0.02 (4)
C804	0.26 (5)	0.17 (3)	0.08 (2)	−0.07 (3)	−0.07 (3)	0.02 (3)
C803	0.29 (5)	0.16 (3)	0.08 (2)	−0.05 (3)	−0.05 (3)	0.04 (3)
C802	0.30 (5)	0.16 (4)	0.08 (2)	−0.05 (3)	−0.06 (3)	0.04 (3)
C801	0.30 (5)	0.16 (3)	0.08 (2)	−0.05 (3)	−0.07 (3)	0.08 (3)
C806	0.29 (5)	0.16 (3)	0.11 (3)	−0.05 (3)	−0.06 (3)	0.06 (3)
C805	0.26 (5)	0.16 (3)	0.10 (3)	−0.07 (3)	−0.09 (3)	0.06 (3)

Geometric parameters (Å, º)

I411—Zn46	2.544 (9)	C332—H332	0.9500
I406—Zn43	2.547 (10)	C356—H356	0.9500
I405—Zn43	2.534 (9)	C356—C355	1.390 (14)
I310—Zn35	2.506 (8)	C306—C303	1.490 (16)
I301—Zn31	2.544 (11)	C330—H330	0.9500
I303—Zn32	2.519 (7)	C368—H368	0.9500
I308—Zn34	2.534 (3)	C355—H355	0.9500
I307—Zn34	2.529 (3)	C303—C302	1.355 (17)
I412—Zn46	2.532 (7)	C303—C304	1.386 (17)
I309—Zn35	2.551 (8)	C340—H340	0.9500
I304—Zn32	2.511 (8)	C340—C341	1.403 (18)
I302—Zn31	2.545 (11)	C354—H354	0.9500
Zn43—N305^i	2.148 (13)	C323—H323	0.9500
Zn43—N311	2.093 (10)	C365—H365	0.9500
Zn32—N307	2.102 (9)	C365—C364	1.408 (15)
Zn32—N306	2.048 (10)	C317—H317	0.9500
Zn46—N318	2.054 (11)	C317—C318	1.403 (15)
Zn46—N319	2.089 (12)	C364—H364	0.9500
Zn35—N317	2.088 (11)	C338—H338	0.9500
Zn35—N323^ii	2.106 (13)	C338—C337	1.358 (17)
Zn34—N312	2.107 (8)	C337—H337	0.9500
Zn34—N313	2.047 (10)	C311—H311	0.9500
Zn31—N324^iii	2.12 (2)	C367—H367	0.9500
Zn31—N301	2.074 (14)	C367—C366	1.386 (15)
N309—C325	1.325 (10)	C341—H341	0.9500
N309—C324	1.333 (10)	C366—H366	0.9500
N308—C324	1.340 (11)	C372—H372	0.9500
N308—C326	1.321 (10)	C372—C371	1.380 (14)
N304—C307	1.332 (11)	C371—H371	0.9500
N304—C308	1.353 (12)	C318—H318	0.9500
N316—C343	1.338 (12)	C4A—C3A	1.398 (12)
N316—C344	1.349 (11)	C4A—C5A	1.394 (12)
N310—C325	1.330 (10)	C4A—C7A	1.514 (13)
N310—C326	1.346 (10)	C3A—H3A	0.9500
N305—C312	1.331 (12)	C3A—C2A	1.387 (12)
N305—C311	1.334 (15)	C347—H347	0.9500
N305—Zn33^iv	2.040 (11)	C347—C346	1.423 (17)
N314—C344	1.317 (13)	C302—H302	0.9500
N314—C342	1.350 (12)	C302—C301	1.375 (19)
N311—C329	1.337 (11)	C301—H301	0.9500
N311—C330	1.343 (12)	C5A—C6A	1.395 (12)
N311—Zn33	2.061 (9)	C5A—C13A	1.523 (16)
N312—C336	1.315 (12)	C304—H304	0.9500
N312—C332	1.322 (13)	C304—C305	1.38 (2)
N312—Zn44	2.054 (11)	C346—H346	0.9500
N312—Zn54	2.084 (19)	C2A—H2A	0.9500
N322—C361	1.352 (11)	C2A—C1A	1.380 (13)
N322—C362	1.332 (12)	C7A—C8A	1.393 (13)
N315—C343	1.317 (13)	C7A—C12A	1.409 (13)
N315—C342	1.334 (12)	C1A—H1AA	0.9500
N320—C361	1.301 (11)	C1A—C6A	1.373 (13)
N320—C360	1.329 (12)	C6A—H6A	0.9500
N318—C350	1.332 (15)	C8A—C9A	1.396 (13)
N318—C354	1.314 (14)	C12A—C11A	1.399 (13)
N318—Zn36	2.068 (10)	C305—H305	0.9500
N321—C360	1.327 (11)	C11A—H11A	0.9500
N321—C362	1.327 (11)	C11A—C10A	1.383 (14)
N313—C337	1.334 (15)	C10A—H10A	0.9500
N313—C341	1.301 (15)	C10A—C9A	1.387 (14)
N313—Zn44	2.064 (14)	C9A—H9A	0.9500
N313—Zn54	2.06 (2)	C13A—H13A	0.9900
N317—C348	1.302 (14)	C13A—H13B	0.9900
N317—C347	1.313 (18)	C314—H314	0.9500
N317—Zn45	2.047 (13)	C314—C315	1.36 (2)
N317—Zn55	2.079 (19)	C15A—H15A	0.9800
N303—C307	1.308 (13)	C15A—H15B	0.9800
N303—C306	1.347 (13)	C15A—H15C	0.9800
N323—C368	1.353 (13)	C315—H315	0.9500
N323—C372	1.311 (14)	C14A—H14A	0.9800
N323—Zn45^v	2.019 (18)	C14A—H14B	0.9800
N323—Zn55^v	2.24 (5)	C14A—H14C	0.9800
N307—C319	1.337 (13)	I403—Zn42	2.556 (9)
N307—C323	1.338 (14)	Zn42—I404	2.538 (8)
N307—Zn42	2.065 (10)	I305—Zn33	2.554 (6)
N302—C308	1.314 (14)	Zn33—I306	2.487 (7)
N302—C306	1.330 (13)	I409—Zn45	2.555 (11)
N319—C359	1.364 (13)	Zn45—I410	2.527 (11)
N319—C355	1.334 (13)	I311—Zn36	2.533 (7)
N319—Zn36	2.047 (10)	Zn36—I312	2.519 (8)
N306—C318	1.294 (15)	I401—Zn41	2.536 (11)
N306—C314	1.358 (18)	Zn41—I402	2.548 (12)
N306—Zn42	2.079 (10)	I501—Zn51	2.530 (12)
N306—C414	1.36 (2)	I502—Zn51	2.535 (14)
N324—C365	1.305 (15)	I509—Zn55	2.557 (17)
N324—C366	1.316 (15)	I510—Zn55	2.519 (17)
N324—Zn41^vi	2.048 (18)	O3B—C12B	1.386 (17)
N324—Zn51^vi	2.109 (18)	O3B—C15B	1.43 (2)
C325—C327	1.491 (10)	C7B—C12B	1.3900
C343—C345	1.502 (13)	C7B—C8B	1.3900
C344—C352	1.495 (13)	C7B—C4B	1.491 (19)
C352—C353	1.336 (16)	C12B—C11B	1.3900
C352—C351	1.367 (14)	C11B—H11B	0.9500
C307—C309	1.500 (12)	C11B—C10B	1.3900
C334—C326	1.503 (11)	C10B—H10B	0.9500
C334—C335	1.389 (12)	C10B—C9B	1.3900
C334—C333	1.364 (12)	C9B—H9B	0.9500
C321—C324	1.483 (10)	C9B—C8B	1.3900
C321—C320	1.365 (13)	C8B—O2B	1.384 (19)
C321—C322	1.384 (12)	O2B—C14B	1.43 (2)
C308—C316	1.468 (13)	C14B—H14D	0.9801
C309—C313	1.365 (14)	C14B—H14E	0.9800
C309—C310	1.363 (13)	C14B—H14F	0.9799
C327—C331	1.380 (12)	C414—H414	0.9500
C327—C328	1.362 (12)	C414—C415	1.36 (2)
C320—H320	0.9500	C415—H415	0.9500
C320—C319	1.373 (12)	Zn44—I407	2.526 (12)
C316—C317	1.321 (16)	Zn44—I408	2.517 (12)
C316—C315	1.429 (16)	I508—Zn54	2.534 (18)
C316—C415	1.43 (2)	I507—Zn54	2.537 (18)
C312—H312	0.9500	O1B—H1B	0.8400
C312—C313	1.380 (13)	O1B—C13B	1.42 (2)
N301—C301	1.339 (18)	C13B—H13C	0.9900
N301—C305	1.329 (18)	C13B—H13D	0.9900
N301—Zn41	2.076 (13)	C13B—C5B	1.51 (2)
N301—Zn51	2.049 (16)	C1B—H1BA	0.9500
C345—C349	1.363 (15)	C1B—C2B	1.3900
C345—C346	1.361 (16)	C1B—C6B	1.3900
C313—H313	0.9500	C2B—H2B	0.9500
C361—C363	1.503 (12)	C2B—C3B	1.3900
C336—H336	0.9500	C3B—H3B	0.9500
C336—C335	1.380 (13)	C3B—C4B	1.3900
C363—C364	1.374 (13)	C4B—C5B	1.3900
C363—C367	1.355 (14)	C5B—C6B	1.3900
C331—H331	0.9500	C6B—H6B	0.9500
C331—C330	1.372 (13)	C15B—H15D	0.9800
C319—H319	0.9500	C15B—H15E	0.9800
C348—H348	0.9500	C15B—H15F	0.9800
C348—C349	1.417 (14)	C807—H80A	0.9900
C357—C360	1.487 (13)	C807—H80B	0.9900
C357—C358	1.380 (14)	C807—C812	1.524 (13)
C357—C356	1.383 (13)	C807—C808	1.525 (13)
C339—C342	1.491 (15)	C812—H81A	0.9900
C339—C340	1.380 (15)	C812—H81B	0.9900
C339—C338	1.352 (14)	C812—C811	1.529 (13)
C335—H335	0.9500	C811—H81C	0.9900
O3A—C12A	1.368 (16)	C811—H81D	0.9900
O3A—C15A	1.440 (14)	C811—C810	1.533 (13)
C369—H369	0.9500	C810—H81E	0.9900
C369—C370	1.368 (13)	C810—H81F	0.9900
C369—C368	1.357 (13)	C810—C809	1.532 (13)
C370—C362	1.490 (11)	C809—H80C	0.9900
C370—C371	1.381 (13)	C809—H80D	0.9900
O2A—C8A	1.368 (16)	C809—C808	1.532 (13)
O2A—C14A	1.417 (19)	C808—H80E	0.9900
C328—H328	0.9500	C808—H80F	0.9900
C328—C329	1.365 (12)	C804—H80G	0.9900
C350—H350	0.9500	C804—H80H	0.9900
C350—C351	1.389 (15)	C804—C803	1.533 (13)
C329—H329	0.9500	C804—C805	1.532 (13)
C353—H353	0.9500	C803—H80I	0.9900
C353—C354	1.400 (15)	C803—H80J	0.9900
C349—H349	0.9500	C803—C802	1.533 (13)
C351—H351	0.9500	C802—H80K	0.9900
C322—H322	0.9500	C802—H80L	0.9900
C322—C323	1.392 (12)	C802—C801	1.531 (13)
O1A—H1A	0.8400	C801—H80M	0.9900
O1A—C13A	1.425 (16)	C801—H80N	0.9900
C358—H358	0.9500	C801—C806	1.530 (13)
C358—C359	1.362 (14)	C806—H80O	0.9900
C359—H359	0.9500	C806—H80P	0.9900
C333—H333	0.9500	C806—C805	1.531 (13)
C333—C332	1.359 (14)	C805—H80Q	0.9900
C310—H310	0.9500	C805—H80R	0.9900
C310—C311	1.387 (15)
I405—Zn43—I406	124.6 (5)	C339—C338—C337	119.4 (11)
N305^i—Zn43—I406	110.4 (5)	C337—C338—H338	120.3
N305^i—Zn43—I405	107.6 (5)	N313—C337—C338	123.5 (11)
N311—Zn43—I406	105.2 (5)	N313—C337—H337	118.3
N311—Zn43—I405	108.3 (4)	C338—C337—H337	118.3
N311—Zn43—N305^i	97.2 (5)	N305—C311—C310	121.6 (10)
I304—Zn32—I303	124.7 (4)	N305—C311—H311	119.2
N307—Zn32—I303	107.3 (4)	C310—C311—H311	119.2
N307—Zn32—I304	104.1 (4)	C363—C367—H367	120.3
N306—Zn32—I303	109.4 (4)	C363—C367—C366	119.3 (11)
N306—Zn32—I304	107.1 (4)	C366—C367—H367	120.3
N306—Zn32—N307	101.8 (4)	N313—C341—C340	124.4 (11)
I412—Zn46—I411	125.1 (4)	N313—C341—H341	117.8
N318—Zn46—I411	107.6 (4)	C340—C341—H341	117.8
N318—Zn46—I412	105.1 (4)	N324—C366—C367	123.3 (11)
N318—Zn46—N319	101.5 (5)	N324—C366—H366	118.4
N319—Zn46—I411	109.1 (4)	C367—C366—H366	118.4
N319—Zn46—I412	105.8 (5)	N323—C372—H372	117.2
I310—Zn35—I309	127.1 (4)	N323—C372—C371	125.6 (10)
N317—Zn35—I310	110.7 (5)	C371—C372—H372	117.2
N317—Zn35—I309	104.6 (4)	C370—C371—H371	121.7
N317—Zn35—N323^ii	96.3 (5)	C372—C371—C370	116.7 (10)
N323^ii—Zn35—I310	104.7 (4)	C372—C371—H371	121.7
N323^ii—Zn35—I309	109.2 (4)	N306—C318—C317	121.4 (13)
I307—Zn34—I308	121.38 (16)	N306—C318—H318	119.3
N312—Zn34—I308	107.4 (3)	C317—C318—H318	119.3
N312—Zn34—I307	110.8 (3)	C3A—C4A—C7A	118.0 (10)
N313—Zn34—I308	106.6 (3)	C5A—C4A—C3A	120.6 (10)
N313—Zn34—I307	107.5 (3)	C5A—C4A—C7A	121.4 (11)
N313—Zn34—N312	101.2 (4)	C4A—C3A—H3A	120.2
I301—Zn31—I302	122.7 (6)	C2A—C3A—C4A	119.7 (10)
N324^iii—Zn31—I301	108.4 (6)	C2A—C3A—H3A	120.2
N324^iii—Zn31—I302	108.6 (6)	N317—C347—H347	118.5
N301—Zn31—I301	103.3 (6)	N317—C347—C346	123.1 (12)
N301—Zn31—I302	111.5 (7)	C346—C347—H347	118.5
N301—Zn31—N324^iii	99.9 (7)	C303—C302—H302	120.3
C325—N309—C324	115.1 (7)	C303—C302—C301	119.4 (13)
C326—N308—C324	114.8 (7)	C301—C302—H302	120.3
C307—N304—C308	114.3 (8)	N301—C301—C302	122.5 (13)
C343—N316—C344	113.7 (9)	N301—C301—H301	118.8
C325—N310—C326	113.5 (6)	C302—C301—H301	118.8
C312—N305—Zn43^iv	120.3 (8)	C4A—C5A—C6A	117.9 (10)
C312—N305—C311	119.3 (8)	C4A—C5A—C13A	119.2 (11)
C312—N305—Zn33^iv	123.4 (8)	C6A—C5A—C13A	122.9 (11)
C311—N305—Zn43^iv	120.2 (7)	C303—C304—H304	120.1
C311—N305—Zn33^iv	117.0 (7)	C305—C304—C303	119.8 (13)
C344—N314—C342	115.1 (8)	C305—C304—H304	120.1
C329—N311—Zn43	119.9 (6)	C345—C346—C347	117.7 (13)
C329—N311—C330	117.8 (8)	C345—C346—H346	121.2
C329—N311—Zn33	120.9 (6)	C347—C346—H346	121.2
C330—N311—Zn43	121.7 (6)	C3A—C2A—H2A	119.9
C330—N311—Zn33	121.1 (6)	C1A—C2A—C3A	120.2 (11)
C336—N312—Zn34	122.3 (7)	C1A—C2A—H2A	119.9
C336—N312—C332	118.5 (8)	C8A—C7A—C4A	119.4 (10)
C336—N312—Zn44	117.8 (8)	C8A—C7A—C12A	119.7 (10)
C336—N312—Zn54	126.3 (12)	C12A—C7A—C4A	120.9 (11)
C332—N312—Zn34	119.2 (6)	C2A—C1A—H1AA	120.2
C332—N312—Zn44	123.7 (7)	C6A—C1A—C2A	119.6 (11)
C332—N312—Zn54	115.2 (12)	C6A—C1A—H1AA	120.2
C362—N322—C361	114.4 (7)	C5A—C6A—H6A	119.0
C343—N315—C342	113.6 (9)	C1A—C6A—C5A	122.0 (11)
C361—N320—C360	115.4 (8)	C1A—C6A—H6A	119.0
C350—N318—Zn46	118.0 (7)	O2A—C8A—C7A	115.9 (10)
C350—N318—Zn36	122.3 (7)	O2A—C8A—C9A	123.5 (12)
C354—N318—Zn46	124.1 (8)	C7A—C8A—C9A	120.6 (10)
C354—N318—C350	117.8 (9)	O3A—C12A—C7A	115.6 (10)
C354—N318—Zn36	119.7 (8)	O3A—C12A—C11A	125.1 (11)
C360—N321—C362	114.6 (8)	C11A—C12A—C7A	119.2 (10)
C337—N313—Zn34	122.9 (8)	N301—C305—C304	121.4 (14)
C337—N313—Zn44	127.4 (8)	N301—C305—H305	119.3
C337—N313—Zn54	120.2 (11)	C304—C305—H305	119.3
C341—N313—Zn34	120.2 (8)	C12A—C11A—H11A	119.9
C341—N313—C337	116.9 (11)	C10A—C11A—C12A	120.2 (11)
C341—N313—Zn44	115.6 (9)	C10A—C11A—H11A	119.9
C341—N313—Zn54	122.9 (11)	C11A—C10A—H10A	119.5
C348—N317—Zn35	120.5 (9)	C11A—C10A—C9A	120.9 (11)
C348—N317—C347	118.7 (10)	C9A—C10A—H10A	119.5
C348—N317—Zn45	129.8 (9)	C8A—C9A—H9A	120.3
C348—N317—Zn55	103.2 (11)	C10A—C9A—C8A	119.3 (11)
C347—N317—Zn35	120.3 (8)	C10A—C9A—H9A	120.3
C347—N317—Zn45	110.8 (8)	O1A—C13A—C5A	112.5 (13)
C347—N317—Zn55	137.4 (11)	O1A—C13A—H13A	109.1
C307—N303—C306	115.0 (8)	O1A—C13A—H13B	109.1
Zn35^v—N323—Zn55^v	16.2 (7)	C5A—C13A—H13A	109.1
C368—N323—Zn35^v	123.2 (7)	C5A—C13A—H13B	109.1
C368—N323—Zn45^v	120.4 (7)	H13A—C13A—H13B	107.8
C368—N323—Zn55^v	132.0 (8)	N306—C314—H314	118.8
C372—N323—Zn35^v	119.7 (7)	C315—C314—N306	122.3 (13)
C372—N323—C368	116.3 (8)	C315—C314—H314	118.8
C372—N323—Zn45^v	123.3 (7)	O3A—C15A—H15A	109.5
C372—N323—Zn55^v	107.1 (9)	O3A—C15A—H15B	109.5
Zn45^v—N323—Zn55^v	25.2 (7)	O3A—C15A—H15C	109.5
C319—N307—Zn32	122.6 (7)	H15A—C15A—H15B	109.5
C319—N307—C323	119.8 (8)	H15A—C15A—H15C	109.5
C319—N307—Zn42	121.1 (7)	H15B—C15A—H15C	109.5
C323—N307—Zn32	117.4 (7)	C316—C315—H315	120.8
C323—N307—Zn42	118.9 (7)	C314—C315—C316	118.4 (15)
C308—N302—C306	115.7 (9)	C314—C315—H315	120.8
C359—N319—Zn46	120.7 (7)	O2A—C14A—H14A	109.5
C359—N319—Zn36	123.7 (7)	O2A—C14A—H14B	109.5
C355—N319—Zn46	122.8 (7)	O2A—C14A—H14C	109.5
C355—N319—C359	116.4 (9)	H14A—C14A—H14B	109.5
C355—N319—Zn36	119.5 (7)	H14A—C14A—H14C	109.5
C318—N306—Zn32	120.7 (9)	H14B—C14A—H14C	109.5
C318—N306—C314	117.7 (10)	N307—Zn42—N306	102.0 (4)
C318—N306—Zn42	122.3 (9)	N307—Zn42—I403	108.8 (4)
C318—N306—C414	104.6 (14)	N307—Zn42—I404	106.0 (5)
C314—N306—Zn32	120.1 (8)	N306—Zn42—I403	103.1 (4)
C414—N306—Zn42	120.5 (11)	N306—Zn42—I404	108.4 (4)
C365—N324—Zn31^vi	128.4 (8)	I404—Zn42—I403	126.1 (4)
C365—N324—C366	117.8 (9)	N305^i—Zn33—N311	101.8 (4)
C365—N324—Zn41^vi	122.0 (8)	N305^i—Zn33—I305	106.4 (3)
C365—N324—Zn51^vi	107.0 (8)	N305^i—Zn33—I306	109.2 (4)
C366—N324—Zn31^vi	113.8 (8)	N311—Zn33—I305	106.9 (4)
C366—N324—Zn41^vi	120.2 (9)	N311—Zn33—I306	105.4 (3)
C366—N324—Zn51^vi	134.7 (9)	I306—Zn33—I305	124.8 (3)
N309—C325—N310	126.0 (7)	N317—Zn45—I409	108.3 (6)
N309—C325—C327	116.3 (7)	N317—Zn45—I410	101.5 (6)
N310—C325—C327	117.6 (7)	N323^ii—Zn45—N317	100.4 (7)
N316—C343—C345	116.9 (10)	N323^ii—Zn45—I409	110.7 (6)
N315—C343—N316	127.2 (9)	N323^ii—Zn45—I410	103.7 (6)
N315—C343—C345	115.8 (9)	I410—Zn45—I409	128.5 (6)
N316—C344—C352	116.8 (9)	N318—Zn36—I311	108.3 (4)
N314—C344—N316	124.9 (8)	N318—Zn36—I312	108.5 (4)
N314—C344—C352	118.2 (8)	N319—Zn36—N318	102.5 (4)
C353—C352—C344	121.3 (9)	N319—Zn36—I311	103.1 (4)
C353—C352—C351	119.6 (10)	N319—Zn36—I312	106.6 (4)
C351—C352—C344	119.0 (10)	I312—Zn36—I311	125.4 (3)
N304—C307—C309	116.6 (9)	N324^iii—Zn41—N301	102.3 (7)
N303—C307—N304	125.8 (8)	N324^iii—Zn41—I401	111.5 (7)
N303—C307—C309	117.6 (8)	N324^iii—Zn41—I402	103.6 (6)
C335—C334—C326	121.6 (7)	N301—Zn41—I401	107.3 (6)
C333—C334—C326	120.8 (8)	N301—Zn41—I402	107.5 (6)
C333—C334—C335	117.6 (8)	I401—Zn41—I402	122.9 (5)
C320—C321—C324	120.8 (8)	N324^iii—Zn51—I501	119.0 (7)
C320—C321—C322	119.2 (8)	N324^iii—Zn51—I502	97.0 (6)
C322—C321—C324	120.0 (8)	N301—Zn51—N324^iii	101.2 (7)
N304—C308—C316	117.3 (9)	N301—Zn51—I501	118.3 (8)
N302—C308—N304	124.7 (8)	N301—Zn51—I502	94.6 (6)
N302—C308—C316	117.9 (9)	I501—Zn51—I502	121.8 (7)
C313—C309—C307	120.8 (8)	N317—Zn55—N323^ii	92.7 (14)
C310—C309—C307	120.2 (9)	N317—Zn55—I509	101.4 (11)
C310—C309—C313	118.9 (9)	N317—Zn55—I510	121.8 (15)
N309—C324—N308	124.5 (7)	N323^ii—Zn55—I509	91.2 (12)
N309—C324—C321	117.5 (7)	N323^ii—Zn55—I510	122.4 (16)
N308—C324—C321	118.0 (7)	I510—Zn55—I509	120.3 (15)
N308—C326—N310	125.9 (7)	C12B—O3B—C15B	118 (2)
N308—C326—C334	117.0 (7)	C12B—C7B—C8B	120.0
N310—C326—C334	117.0 (7)	C12B—C7B—C4B	120.1 (14)
C331—C327—C325	120.5 (7)	C8B—C7B—C4B	119.5 (14)
C328—C327—C325	121.5 (7)	O3B—C12B—C7B	115.1 (19)
C328—C327—C331	118.0 (7)	O3B—C12B—C11B	124.6 (19)
C321—C320—H320	120.1	C7B—C12B—C11B	120.0
C321—C320—C319	119.8 (9)	C12B—C11B—H11B	120.0
C319—C320—H320	120.1	C10B—C11B—C12B	120.0
C317—C316—C308	122.5 (9)	C10B—C11B—H11B	120.0
C317—C316—C315	116.5 (10)	C11B—C10B—H10B	120.0
C317—C316—C415	103.3 (15)	C9B—C10B—C11B	120.0
C315—C316—C308	119.8 (11)	C9B—C10B—H10B	120.0
C415—C316—C308	121.3 (13)	C10B—C9B—H9B	120.0
N305—C312—H312	119.4	C8B—C9B—C10B	120.0
N305—C312—C313	121.1 (10)	C8B—C9B—H9B	120.0
C313—C312—H312	119.4	C9B—C8B—C7B	120.0
C301—N301—Zn31	126.2 (9)	O2B—C8B—C7B	112 (2)
C301—N301—Zn41	121.6 (9)	O2B—C8B—C9B	127 (2)
C301—N301—Zn51	108.3 (9)	C8B—O2B—C14B	118 (3)
C305—N301—Zn31	115.1 (10)	O2B—C14B—H14D	109.5
C305—N301—C301	118.4 (12)	O2B—C14B—H14E	109.5
C305—N301—Zn41	120.0 (10)	O2B—C14B—H14F	109.5
C305—N301—Zn51	132.6 (10)	H14D—C14B—H14E	109.5
C349—C345—C343	121.5 (9)	H14D—C14B—H14F	109.5
C346—C345—C343	119.4 (11)	H14E—C14B—H14F	109.5
C346—C345—C349	119.1 (10)	N306—C414—H414	118.5
C309—C313—C312	119.9 (9)	N306—C414—C415	123 (2)
C309—C313—H313	120.0	C415—C414—H414	118.5
C312—C313—H313	120.0	C316—C415—H415	121.2
N322—C361—C363	114.2 (7)	C414—C415—C316	118 (2)
N320—C361—N322	124.9 (8)	C414—C415—H415	121.2
N320—C361—C363	120.9 (8)	N312—Zn44—N313	102.4 (6)
N312—C336—H336	118.5	N312—Zn44—I407	106.1 (5)
N312—C336—C335	123.1 (9)	N312—Zn44—I408	107.7 (5)
C335—C336—H336	118.5	N313—Zn44—I407	103.4 (6)
C364—C363—C361	120.5 (9)	N313—Zn44—I408	115.3 (6)
C367—C363—C361	121.2 (8)	I408—Zn44—I407	120.2 (5)
C367—C363—C364	118.3 (9)	N312—Zn54—I508	96.1 (17)
C327—C331—H331	120.2	N312—Zn54—I507	113.9 (17)
C330—C331—C327	119.7 (8)	N313—Zn54—N312	101.5 (9)
C330—C331—H331	120.2	N313—Zn54—I508	113.6 (18)
N307—C319—C320	121.3 (10)	N313—Zn54—I507	93.2 (14)
N307—C319—H319	119.3	I508—Zn54—I507	134.9 (17)
C320—C319—H319	119.3	C13B—O1B—H1B	109.5
N317—C348—H348	118.9	O1B—C13B—H13C	110.0
N317—C348—C349	122.2 (11)	O1B—C13B—H13D	110.0
C349—C348—H348	118.9	O1B—C13B—C5B	108 (3)
C358—C357—C360	121.1 (9)	H13C—C13B—H13D	108.4
C358—C357—C356	117.7 (9)	C5B—C13B—H13C	110.0
C356—C357—C360	121.2 (9)	C5B—C13B—H13D	110.0
N320—C360—C357	118.1 (8)	C2B—C1B—H1BA	120.0
N321—C360—N320	125.3 (9)	C2B—C1B—C6B	120.0
N321—C360—C357	116.6 (8)	C6B—C1B—H1BA	120.0
C340—C339—C342	119.3 (9)	C1B—C2B—H2B	120.0
C338—C339—C342	121.2 (10)	C3B—C2B—C1B	120.0
C338—C339—C340	119.4 (11)	C3B—C2B—H2B	120.0
C334—C335—H335	120.9	C2B—C3B—H3B	120.0
C336—C335—C334	118.2 (8)	C4B—C3B—C2B	120.0
C336—C335—H335	120.9	C4B—C3B—H3B	120.0
C12A—O3A—C15A	118.4 (15)	C3B—C4B—C7B	118.4 (15)
C370—C369—H369	120.1	C3B—C4B—C5B	120.0
C368—C369—H369	120.1	C5B—C4B—C7B	121.1 (15)
C368—C369—C370	119.9 (9)	C4B—C5B—C13B	120.6 (15)
C369—C370—C362	122.9 (8)	C6B—C5B—C13B	119.4 (15)
C369—C370—C371	119.0 (8)	C6B—C5B—C4B	120.0
C371—C370—C362	118.1 (8)	C1B—C6B—H6B	120.0
C8A—O2A—C14A	117.4 (14)	C5B—C6B—C1B	120.0
C327—C328—H328	120.0	C5B—C6B—H6B	120.0
C327—C328—C329	120.0 (8)	O3B—C15B—H15D	109.5
C329—C328—H328	120.0	O3B—C15B—H15E	109.5
N318—C350—H350	118.3	O3B—C15B—H15F	109.5
N318—C350—C351	123.3 (10)	H15D—C15B—H15E	109.5
C351—C350—H350	118.3	H15D—C15B—H15F	109.5
N314—C342—C339	117.6 (8)	H15E—C15B—H15F	109.5
N315—C342—N314	125.4 (10)	H80A—C807—H80B	108.0
N315—C342—C339	117.0 (9)	C812—C807—H80A	109.4
N311—C329—C328	122.5 (9)	C812—C807—H80B	109.4
N311—C329—H329	118.7	C812—C807—C808	111.0 (19)
C328—C329—H329	118.7	C808—C807—H80A	109.4
C352—C353—H353	120.1	C808—C807—H80B	109.4
C352—C353—C354	119.8 (10)	C807—C812—H81A	108.9
C354—C353—H353	120.1	C807—C812—H81B	108.9
C345—C349—C348	119.1 (10)	C807—C812—C811	113.6 (17)
C345—C349—H349	120.5	H81A—C812—H81B	107.7
C348—C349—H349	120.5	C811—C812—H81A	108.9
C352—C351—C350	117.5 (11)	C811—C812—H81B	108.9
C352—C351—H351	121.3	C812—C811—H81C	109.3
C350—C351—H351	121.3	C812—C811—H81D	109.3
N322—C362—C370	116.9 (8)	C812—C811—C810	111.4 (16)
N321—C362—N322	125.0 (8)	H81C—C811—H81D	108.0
N321—C362—C370	118.0 (8)	C810—C811—H81C	109.3
C321—C322—H322	120.7	C810—C811—H81D	109.3
C321—C322—C323	118.6 (9)	C811—C810—H81E	109.5
C323—C322—H322	120.7	C811—C810—H81F	109.5
C13A—O1A—H1A	109.5	H81E—C810—H81F	108.0
C357—C358—H358	119.6	C809—C810—C811	110.9 (17)
C359—C358—C357	120.8 (9)	C809—C810—H81E	109.5
C359—C358—H358	119.6	C809—C810—H81F	109.5
N319—C359—H359	118.8	C810—C809—H80C	109.4
C358—C359—N319	122.3 (10)	C810—C809—H80D	109.4
C358—C359—H359	118.8	C810—C809—C808	111.3 (17)
C334—C333—H333	119.8	H80C—C809—H80D	108.0
C332—C333—C334	120.5 (9)	C808—C809—H80C	109.4
C332—C333—H333	119.8	C808—C809—H80D	109.4
C309—C310—H310	120.5	C807—C808—C809	110.1 (17)
C309—C310—C311	119.0 (11)	C807—C808—H80E	109.6
C311—C310—H310	120.5	C807—C808—H80F	109.6
N312—C332—C333	122.2 (9)	C809—C808—H80E	109.6
N312—C332—H332	118.9	C809—C808—H80F	109.6
C333—C332—H332	118.9	H80E—C808—H80F	108.1
C357—C356—H356	120.8	H80G—C804—H80H	108.2
C357—C356—C355	118.4 (9)	C803—C804—H80G	109.7
C355—C356—H356	120.8	C803—C804—H80H	109.7
N303—C306—C303	117.8 (9)	C805—C804—H80G	109.7
N302—C306—N303	124.3 (10)	C805—C804—H80H	109.7
N302—C306—C303	117.9 (9)	C805—C804—C803	110 (2)
N311—C330—C331	121.9 (8)	C804—C803—H80I	109.4
N311—C330—H330	119.0	C804—C803—H80J	109.4
C331—C330—H330	119.0	H80I—C803—H80J	108.0
N323—C368—C369	122.6 (9)	C802—C803—C804	111.2 (18)
N323—C368—H368	118.7	C802—C803—H80I	109.4
C369—C368—H368	118.7	C802—C803—H80J	109.4
N319—C355—C356	124.2 (9)	C803—C802—H80K	109.5
N319—C355—H355	117.9	C803—C802—H80L	109.5
C356—C355—H355	117.9	H80K—C802—H80L	108.1
C302—C303—C306	121.6 (11)	C801—C802—C803	110.8 (18)
C302—C303—C304	118.2 (12)	C801—C802—H80K	109.5
C304—C303—C306	120.0 (10)	C801—C802—H80L	109.5
C339—C340—H340	121.8	C802—C801—H80M	109.5
C339—C340—C341	116.5 (10)	C802—C801—H80N	109.5
C341—C340—H340	121.8	H80M—C801—H80N	108.1
N318—C354—C353	121.6 (12)	C806—C801—C802	110.6 (18)
N318—C354—H354	119.2	C806—C801—H80M	109.5
C353—C354—H354	119.2	C806—C801—H80N	109.5
N307—C323—C322	121.1 (9)	C801—C806—H80O	109.3
N307—C323—H323	119.4	C801—C806—H80P	109.3
C322—C323—H323	119.4	C801—C806—C805	111.7 (18)
N324—C365—H365	118.5	H80O—C806—H80P	107.9
N324—C365—C364	122.9 (10)	C805—C806—H80O	109.3
C364—C365—H365	118.5	C805—C806—H80P	109.3
C316—C317—H317	119.3	C804—C805—H80Q	109.3
C316—C317—C318	121.5 (10)	C804—C805—H80R	109.3
C318—C317—H317	119.3	C806—C805—C804	111.4 (18)
C363—C364—C365	118.4 (10)	C806—C805—H80Q	109.3
C363—C364—H364	120.8	C806—C805—H80R	109.3
C365—C364—H364	120.8	H80Q—C805—H80R	108.0
C339—C338—H338	120.3
Zn43^iv—N305—C312—C313	−171.6 (7)	C358—C357—C356—C355	−2 (2)
Zn43^iv—N305—C311—C310	171.4 (10)	C359—N319—C355—C356	1 (2)
Zn43—N311—C329—C328	−170.5 (11)	C333—C334—C326—N308	12.0 (15)
Zn43—N311—C330—C331	172.3 (10)	C333—C334—C326—N310	−165.2 (10)
Zn32—N307—C319—C320	172.7 (9)	C333—C334—C335—C336	−0.1 (16)
Zn32—N307—C323—C322	−176.7 (10)	C310—C309—C313—C312	−0.9 (14)
Zn32—N306—C318—C317	−178.4 (10)	C332—N312—C336—C335	−1.7 (18)
Zn32—N306—C314—C315	−178.5 (17)	C356—C357—C360—N320	1.9 (18)
Zn46—N318—C350—C351	172.1 (8)	C356—C357—C360—N321	−177.5 (12)
Zn46—N318—C354—C353	−172.1 (9)	C356—C357—C358—C359	0 (2)
Zn46—N319—C359—C358	172.6 (10)	C306—N303—C307—N304	3.1 (14)
Zn46—N319—C355—C356	−175.1 (12)	C306—N303—C307—C309	−175.9 (9)
Zn35—N317—C348—C349	−171.4 (8)	C306—N302—C308—N304	1.3 (16)
Zn35—N317—C347—C346	172.6 (13)	C306—N302—C308—C316	177.5 (10)
Zn35^v—N323—C368—C369	−167.9 (10)	C306—C303—C302—C301	176.4 (14)
Zn35^v—N323—C372—C371	169.3 (14)	C306—C303—C304—C305	−179.5 (16)
Zn34—N312—C336—C335	179.0 (8)	C330—N311—C329—C328	0.9 (19)
Zn34—N312—C332—C333	179.5 (10)	C368—N323—C372—C371	−1 (2)
Zn34—N313—C337—C338	177.6 (10)	C368—C369—C370—C362	−178.9 (11)
Zn34—N313—C341—C340	−178.4 (11)	C368—C369—C370—C371	2.0 (19)
Zn31^vi—N324—C365—C364	−179.4 (10)	C355—N319—C359—C358	−3 (2)
Zn31^vi—N324—C366—C367	179.0 (12)	C303—C302—C301—N301	4 (3)
Zn31—N301—C301—C302	168.0 (14)	C303—C304—C305—N301	2 (3)
Zn31—N301—C305—C304	−172.0 (16)	C340—C339—C342—N314	17.5 (14)
N309—C325—C327—C331	−177.8 (9)	C340—C339—C342—N315	−159.8 (10)
N309—C325—C327—C328	1.4 (14)	C340—C339—C338—C337	1.1 (19)
N304—C307—C309—C313	−7.8 (12)	C354—N318—C350—C351	−4.4 (16)
N304—C307—C309—C310	168.6 (9)	C323—N307—C319—C320	−2.0 (17)
N304—C308—C316—C317	−17.8 (15)	C365—N324—C366—C367	−3 (2)
N304—C308—C316—C315	149.4 (13)	C317—C316—C315—C314	−7 (3)
N304—C308—C316—C415	−153 (2)	C317—C316—C415—C414	41 (4)
N316—C343—C345—C349	−1.8 (12)	C364—C363—C367—C366	0 (2)
N316—C343—C345—C346	177.9 (11)	C338—C339—C342—N314	−159.9 (10)
N316—C344—C352—C353	1.9 (13)	C338—C339—C342—N315	22.8 (14)
N316—C344—C352—C351	−175.0 (8)	C338—C339—C340—C341	−1.7 (18)
N310—C325—C327—C331	−1.3 (14)	C337—N313—C341—C340	0 (2)
N310—C325—C327—C328	177.8 (10)	C311—N305—C312—C313	3.3 (14)
N305—C312—C313—C309	−1.1 (14)	C367—C363—C364—C365	−0.2 (19)
N314—C344—C352—C353	−174.5 (9)	C341—N313—C337—C338	−1.1 (19)
N314—C344—C352—C351	8.6 (12)	C366—N324—C365—C364	3 (2)
N312—C336—C335—C334	1.6 (17)	C372—N323—C368—C369	2 (2)
N322—C361—C363—C364	−169.8 (11)	C371—C370—C362—N322	0.4 (16)
N322—C361—C363—C367	7.6 (16)	C371—C370—C362—N321	−176.4 (12)
N315—C343—C345—C349	175.1 (8)	C318—N306—C314—C315	16 (3)
N315—C343—C345—C346	−5.2 (14)	C318—N306—C414—C415	−39 (4)
N320—C361—C363—C364	9.5 (17)	C4A—C3A—C2A—C1A	3 (2)
N320—C361—C363—C367	−173.2 (12)	C4A—C5A—C6A—C1A	−1 (2)
N318—C350—C351—C352	−0.3 (16)	C4A—C5A—C13A—O1A	161.4 (14)
N317—C348—C349—C345	0.9 (15)	C4A—C7A—C8A—O2A	−3 (2)
N317—C347—C346—C345	−3 (3)	C4A—C7A—C8A—C9A	177.9 (14)
N303—C307—C309—C313	171.4 (8)	C4A—C7A—C12A—O3A	2 (2)
N303—C307—C309—C310	−12.2 (13)	C4A—C7A—C12A—C11A	−179.0 (14)
N303—C306—C303—C302	18.3 (19)	C3A—C4A—C5A—C6A	2 (2)
N303—C306—C303—C304	−165.9 (13)	C3A—C4A—C5A—C13A	179.9 (15)
N323—C372—C371—C370	0 (3)	C3A—C4A—C7A—C8A	−107.7 (16)
N302—C308—C316—C317	165.7 (11)	C3A—C4A—C7A—C12A	70.5 (19)
N302—C308—C316—C315	−27.1 (17)	C3A—C2A—C1A—C6A	−2 (2)
N302—C308—C316—C415	31 (2)	C347—N317—C348—C349	1.0 (16)
N302—C306—C303—C302	−161.6 (13)	C302—C303—C304—C305	−4 (3)
N302—C306—C303—C304	14.3 (19)	C301—N301—C305—C304	2 (3)
N306—C314—C315—C316	−6 (3)	C5A—C4A—C3A—C2A	−3 (2)
N306—C414—C415—C316	−2 (5)	C5A—C4A—C7A—C8A	73 (2)
N324—C365—C364—C363	−1 (2)	C5A—C4A—C7A—C12A	−108.4 (17)
C325—N309—C324—N308	−4.3 (14)	C304—C303—C302—C301	0 (2)
C325—N309—C324—C321	176.8 (8)	C346—C345—C349—C348	−4.0 (16)
C325—N310—C326—N308	−4.7 (14)	C2A—C1A—C6A—C5A	1 (2)
C325—N310—C326—C334	172.2 (8)	C7A—C4A—C3A—C2A	178.3 (12)
C325—C327—C331—C330	179.7 (10)	C7A—C4A—C5A—C6A	−179.0 (13)
C325—C327—C328—C329	−177.7 (11)	C7A—C4A—C5A—C13A	−1 (2)
C343—N316—C344—N314	−0.6 (11)	C7A—C8A—C9A—C10A	1 (2)
C343—N316—C344—C352	−176.7 (7)	C7A—C12A—C11A—C10A	1 (2)
C343—N315—C342—N314	2.9 (12)	C6A—C5A—C13A—O1A	−21 (2)
C343—N315—C342—C339	179.9 (7)	C8A—C7A—C12A—O3A	179.7 (14)
C343—C345—C349—C348	175.7 (8)	C8A—C7A—C12A—C11A	−1 (2)
C343—C345—C346—C347	−174.6 (12)	C12A—C7A—C8A—O2A	179.0 (14)
C344—N316—C343—N315	−1.0 (12)	C12A—C7A—C8A—C9A	0 (2)
C344—N316—C343—C345	175.5 (7)	C12A—C11A—C10A—C9A	0 (3)
C344—N314—C342—N315	−4.3 (12)	C305—N301—C301—C302	−5 (3)
C344—N314—C342—C339	178.8 (7)	C11A—C10A—C9A—C8A	−2 (3)
C344—C352—C353—C354	177.6 (10)	C13A—C5A—C6A—C1A	−179.0 (16)
C344—C352—C351—C350	−177.8 (9)	C314—N306—C318—C317	−13 (2)
C352—C353—C354—N318	0.7 (19)	C15A—O3A—C12A—C7A	171.4 (14)
C307—N304—C308—N302	1.3 (14)	C15A—O3A—C12A—C11A	−8 (2)
C307—N304—C308—C316	−174.9 (8)	C315—C316—C317—C318	10 (2)
C307—N303—C306—N302	0.0 (16)	C14A—O2A—C8A—C7A	178.7 (19)
C307—N303—C306—C303	−179.9 (10)	C14A—O2A—C8A—C9A	−2 (3)
C307—C309—C313—C312	175.5 (8)	Zn42—N307—C319—C320	173.0 (9)
C307—C309—C310—C311	−175.7 (11)	Zn42—N307—C323—C322	−176.9 (10)
C334—C333—C332—N312	1 (2)	Zn42—N306—C318—C317	−177.9 (10)
C321—C320—C319—N307	4.3 (17)	Zn42—N306—C414—C415	179 (3)
C321—C322—C323—N307	3 (2)	Zn33^iv—N305—C312—C313	−170.1 (7)
C308—N304—C307—N303	−3.7 (13)	Zn33^iv—N305—C311—C310	170.3 (10)
C308—N304—C307—C309	175.4 (8)	Zn33—N311—C329—C328	−175.5 (10)
C308—N302—C306—N303	−2.0 (17)	Zn33—N311—C330—C331	177.5 (10)
C308—N302—C306—C303	177.8 (10)	Zn45—N317—C348—C349	−167.7 (9)
C308—C316—C317—C318	177.8 (11)	Zn45—N317—C347—C346	171.0 (15)
C308—C316—C315—C314	−175.2 (17)	Zn45^v—N323—C368—C369	−178.6 (10)
C308—C316—C415—C414	−177 (3)	Zn45^v—N323—C372—C371	179.6 (14)
C309—C310—C311—N305	2 (2)	Zn36—N318—C350—C351	170.9 (8)
C324—N309—C325—N310	3.2 (14)	Zn36—N318—C354—C353	−171.2 (10)
C324—N309—C325—C327	179.3 (8)	Zn36—N319—C359—C358	169.0 (10)
C324—N308—C326—N310	3.7 (15)	Zn36—N319—C355—C356	−171.9 (12)
C324—N308—C326—C334	−173.2 (8)	Zn41^vi—N324—C365—C364	−179.9 (10)
C324—C321—C320—C319	176.1 (10)	Zn41^vi—N324—C366—C367	179.8 (11)
C324—C321—C322—C323	−179.8 (11)	Zn41—N301—C301—C302	173.9 (14)
C326—N308—C324—N309	1.2 (14)	Zn41—N301—C305—C304	−177.2 (15)
C326—N308—C324—C321	180.0 (9)	Zn51^vi—N324—C365—C364	175.7 (12)
C326—N310—C325—N309	1.0 (13)	Zn51^vi—N324—C366—C367	−173.2 (12)
C326—N310—C325—C327	−175.1 (8)	Zn51—N301—C301—C302	−176.8 (15)
C326—C334—C335—C336	−177.3 (10)	Zn51—N301—C305—C304	171.0 (15)
C326—C334—C333—C332	175.9 (11)	Zn55—N317—C348—C349	−171.0 (16)
C327—C331—C330—N311	−1.8 (19)	Zn55—N317—C347—C346	169 (2)
C327—C328—C329—N311	−2 (2)	Zn55^v—N323—C368—C369	−150.6 (13)
C320—C321—C324—N309	6.9 (14)	Zn55^v—N323—C372—C371	158.2 (16)
C320—C321—C324—N308	−172.0 (9)	O3B—C12B—C11B—C10B	−174 (3)
C320—C321—C322—C323	−0.8 (18)	C7B—C12B—C11B—C10B	0.0
C316—C317—C318—N306	0 (2)	C7B—C8B—O2B—C14B	−156 (9)
C312—N305—C311—C310	−3.5 (18)	C7B—C4B—C5B—C13B	−9 (3)
C313—C309—C310—C311	0.7 (16)	C7B—C4B—C5B—C6B	172 (3)
C361—N322—C362—N321	3.4 (16)	C12B—C7B—C8B—C9B	0.0
C361—N322—C362—C370	−173.2 (9)	C12B—C7B—C8B—O2B	176 (2)
C361—N320—C360—N321	2.9 (17)	C12B—C7B—C4B—C3B	90 (2)
C361—N320—C360—C357	−176.5 (10)	C12B—C7B—C4B—C5B	−82 (3)
C361—C363—C364—C365	177.3 (11)	C12B—C11B—C10B—C9B	0.0
C361—C363—C367—C366	−177.3 (12)	C11B—C10B—C9B—C8B	0.0
C336—N312—C332—C333	0.1 (19)	C10B—C9B—C8B—C7B	0.0
C363—C367—C366—N324	1 (2)	C10B—C9B—C8B—O2B	−175 (3)
C331—C327—C328—C329	1.4 (18)	C9B—C8B—O2B—C14B	19 (9)
C319—N307—C323—C322	−1.7 (19)	C8B—C7B—C12B—O3B	174 (3)
C348—N317—C347—C346	0 (2)	C8B—C7B—C12B—C11B	0.0
C357—C358—C359—N319	3 (2)	C8B—C7B—C4B—C3B	−84 (3)
C357—C356—C355—N319	2 (2)	C8B—C7B—C4B—C5B	105 (2)
C360—N320—C361—N322	3.8 (16)	C414—N306—C318—C317	40 (2)
C360—N320—C361—C363	−175.3 (10)	C415—C316—C317—C318	−40.5 (19)
C360—N321—C362—N322	2.3 (16)	Zn44—N312—C336—C335	178.1 (9)
C360—N321—C362—C370	178.8 (9)	Zn44—N312—C332—C333	−179.6 (10)
C360—C357—C358—C359	179.8 (12)	Zn44—N313—C337—C338	175.5 (10)
C360—C357—C356—C355	177.8 (12)	Zn44—N313—C341—C340	−176.6 (12)
C339—C340—C341—N313	1 (2)	Zn54—N312—C336—C335	179.8 (11)
C339—C338—C337—N313	0 (2)	Zn54—N312—C332—C333	178.8 (12)
C335—C334—C326—N308	−170.9 (9)	Zn54—N313—C337—C338	−178.7 (14)
C335—C334—C326—N310	11.9 (14)	Zn54—N313—C341—C340	177.9 (15)
C335—C334—C333—C332	−1.3 (17)	O1B—C13B—C5B—C4B	−71 (4)
O3A—C12A—C11A—C10A	−179.9 (15)	O1B—C13B—C5B—C6B	108 (4)
C369—C370—C362—N322	−178.7 (11)	C13B—C5B—C6B—C1B	−179 (2)
C369—C370—C362—N321	4.5 (16)	C1B—C2B—C3B—C4B	0.0
C369—C370—C371—C372	−1 (2)	C2B—C1B—C6B—C5B	0.0
C370—C369—C368—N323	−2 (2)	C2B—C3B—C4B—C7B	−172 (3)
O2A—C8A—C9A—C10A	−177.8 (15)	C2B—C3B—C4B—C5B	0.0
C328—C327—C331—C330	0.5 (17)	C3B—C4B—C5B—C13B	179 (2)
C350—N318—C354—C353	4.2 (17)	C3B—C4B—C5B—C6B	0.0
C342—N314—C344—N316	3.0 (12)	C4B—C7B—C12B—O3B	1 (3)
C342—N314—C344—C352	179.1 (7)	C4B—C7B—C12B—C11B	−173 (3)
C342—N315—C343—N316	0.0 (12)	C4B—C7B—C8B—C9B	173 (3)
C342—N315—C343—C345	−176.6 (7)	C4B—C7B—C8B—O2B	−11 (3)
C342—C339—C340—C341	−179.2 (11)	C4B—C5B—C6B—C1B	0.0
C342—C339—C338—C337	178.5 (11)	C6B—C1B—C2B—C3B	0.0
C329—N311—C330—C331	1.1 (18)	C15B—O3B—C12B—C7B	172 (6)
C353—C352—C351—C350	5.3 (15)	C15B—O3B—C12B—C11B	−14 (7)
C349—C345—C346—C347	5 (2)	C807—C812—C811—C810	52 (4)
C351—C352—C353—C354	−5.6 (17)	C812—C807—C808—C809	56 (4)
C362—N322—C361—N320	−6.7 (16)	C812—C811—C810—C809	−53 (4)
C362—N322—C361—C363	172.5 (9)	C811—C810—C809—C808	57 (4)
C362—N321—C360—N320	−5.7 (16)	C810—C809—C808—C807	−59 (4)
C362—N321—C360—C357	173.6 (10)	C808—C807—C812—C811	−53 (4)
C362—C370—C371—C372	179.9 (13)	C804—C803—C802—C801	58 (4)
C322—C321—C324—N309	−174.2 (10)	C803—C804—C805—C806	56 (4)
C322—C321—C324—N308	7.0 (15)	C803—C802—C801—C806	−56 (4)
C322—C321—C320—C319	−2.8 (16)	C802—C801—C806—C805	55 (4)
C358—C357—C360—N320	−178.2 (11)	C801—C806—C805—C804	−56 (4)
C358—C357—C360—N321	2.4 (17)	C805—C804—C803—C802	−57 (4)

Symmetry codes: (i) x−1/2, −y+1, z−1/2; (ii) x+1/2, −y, z+1/2; (iii) x, y+1, z+1; (iv) x+1/2, −y+1, z+1/2; (v) x−1/2, −y, z−1/2; (vi) x, y−1, z−1.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (50_10_24a)

Crystal data

C72H48I12N24Zn6·0.89(C15H16O3)·0.878(C6H12)	F(000) = 6487
Mr = 3455.65	Dx = 1.440 Mg m^−3
Monoclinic, P2/n	Cu Kα radiation, λ = 1.54184 Å
a = 31.5672 (6) Å	Cell parameters from 18208 reflections
b = 15.0183 (2) Å	θ = 2.6–70.8°
c = 34.3644 (5) Å	µ = 19.56 mm^−1
β = 102.009 (2)°	T = 100 K
V = 15935.1 (5) Å^3	Block, light yellow
Z = 4	0.21 × 0.13 × 0.06 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	29077 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	22071 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.045
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.1°
profile data from ω–scans	h = −37→38
Absorption correction: analytical CrysAlisPro 1.171.41.89a (Rigaku Oxford Diffraction, 2020) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −15→18
Tmin = 0.084, Tmax = 0.400	l = −41→36
102244 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.077	H-atom parameters constrained
wR(F^2) = 0.256	w = 1/[σ^2(Fo^2) + (0.137P)^2 + 60.5984P] where P = (Fo^2 + 2Fc^2)/3
S = 1.05	(Δ/σ)max = 0.002
29077 reflections	Δρmax = 1.40 e Å^−3
1751 parameters	Δρmin = −1.03 e Å^−3
881 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). Exchange site B was located over a two-fold symmetry axis and was modelled in PART -1. During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I401	1.1203 (3)	−0.3948 (7)	0.2664 (3)	0.112 (2)	0.4095
I306	0.91392 (9)	0.9943 (2)	0.65043 (16)	0.0805 (12)	0.58 (2)
I402	1.06189 (11)	−0.4608 (3)	0.37307 (16)	0.0838 (9)	0.4095
I412	0.3860 (6)	−0.4858 (6)	0.6391 (5)	0.176 (7)	0.3307
I303	0.79274 (19)	0.0173 (4)	0.49026 (14)	0.0613 (8)	0.4057
I310	0.22370 (6)	0.46316 (11)	0.40036 (7)	0.0883 (8)	0.641 (9)
I309	0.32864 (7)	0.46407 (14)	0.50734 (5)	0.0918 (9)	0.641 (9)
I307	0.64095 (11)	0.8948 (3)	0.27231 (12)	0.0959 (8)	0.678 (13)
I304	0.6985 (2)	0.0964 (5)	0.3799 (2)	0.096 (2)	0.4057
I411	0.4994 (4)	−0.3435 (14)	0.6001 (3)	0.225 (8)	0.3307
I305	1.01415 (12)	0.8353 (4)	0.60425 (15)	0.1014 (13)	0.58 (2)
I308	0.56840 (8)	0.99532 (17)	0.36425 (16)	0.1001 (12)	0.678 (13)
Zn41	1.0897 (2)	−0.3519 (5)	0.3267 (3)	0.065 (3)	0.4095
Zn46	0.4259 (5)	−0.3487 (9)	0.6210 (4)	0.100 (6)	0.3307
Zn33	0.94595 (17)	0.8488 (4)	0.63149 (17)	0.0638 (15)	0.58 (2)
Zn35	0.29549 (8)	0.40446 (19)	0.43893 (8)	0.0632 (10)	0.641 (9)
Zn34	0.60517 (16)	0.8743 (3)	0.33067 (17)	0.0734 (11)	0.678 (13)
Zn32	0.7718 (3)	0.1137 (5)	0.4287 (2)	0.061 (2)	0.4057
N322	0.2701 (2)	−0.1891 (4)	0.46120 (19)	0.0527 (15)
N320	0.3105 (2)	−0.0570 (4)	0.47807 (19)	0.0582 (16)
N315	0.4829 (2)	0.4846 (4)	0.2789 (2)	0.0585 (16)
N301	1.0426 (2)	−0.2562 (5)	0.3130 (2)	0.068 (2)
N303	0.9627 (2)	0.0240 (5)	0.2712 (2)	0.0588 (16)
N321	0.2511 (2)	−0.0584 (4)	0.42322 (18)	0.0520 (14)
N314	0.4520 (3)	0.5340 (5)	0.3326 (2)	0.0668 (19)
N316	0.4270 (2)	0.4014 (5)	0.2985 (2)	0.0610 (17)
N310	0.7764 (3)	0.7018 (5)	0.4789 (2)	0.0672 (19)
N302	0.9326 (3)	−0.0241 (5)	0.3250 (2)	0.0642 (18)
N319	0.2913 (3)	0.2650 (5)	0.4408 (2)	0.072 (2)
N309	0.8118 (3)	0.5638 (5)	0.4950 (2)	0.070 (2)
N317	0.4552 (3)	0.2328 (5)	0.1810 (2)	0.070 (2)
N308	0.7547 (3)	0.5756 (5)	0.4386 (2)	0.0686 (19)
N307	0.7805 (3)	0.2487 (5)	0.4437 (3)	0.076 (2)
N323	0.1394 (2)	−0.2835 (4)	0.3616 (2)	0.072 (2)
N313	0.5591 (3)	0.7736 (6)	0.3192 (3)	0.081 (2)
N305	0.9323 (3)	0.2660 (5)	0.1697 (2)	0.069 (2)
N304	0.9060 (3)	0.1055 (5)	0.2898 (2)	0.074 (2)
N324	0.3853 (3)	−0.2802 (5)	0.5774 (2)	0.077 (2)
N318	0.3401 (3)	0.4216 (5)	0.4036 (3)	0.077 (2)
C303	0.9869 (3)	−0.1138 (5)	0.3037 (2)	0.059 (2)
N312	0.6497 (3)	0.8065 (5)	0.3747 (3)	0.082 (2)
N311	0.8984 (3)	0.7819 (5)	0.5915 (2)	0.083 (2)
C342	0.4788 (3)	0.5418 (6)	0.3077 (3)	0.064 (2)
C362	0.3027 (3)	−0.1428 (5)	0.4833 (2)	0.0528 (17)
C306	0.9587 (3)	−0.0328 (5)	0.3002 (2)	0.0577 (19)
C345	0.4559 (3)	0.3505 (5)	0.2428 (2)	0.061 (2)
C357	0.2867 (3)	0.0814 (5)	0.4451 (2)	0.0558 (18)
C339	0.5058 (3)	0.6240 (5)	0.3107 (3)	0.066 (2)
C361	0.2459 (3)	−0.1432 (5)	0.4316 (2)	0.0520 (17)
C302	1.0094 (3)	−0.1354 (6)	0.2751 (3)	0.064 (2)
H302	1.005798	−0.100845	0.251480	0.077*
C363	0.2088 (3)	−0.1930 (5)	0.4066 (2)	0.0564 (19)
C343	0.4551 (3)	0.4141 (5)	0.2756 (2)	0.059 (2)
C370	0.3318 (3)	−0.1912 (5)	0.5154 (2)	0.061 (2)
C307	0.9340 (3)	0.0930 (6)	0.2669 (3)	0.064 (2)
C360	0.2826 (3)	−0.0172 (5)	0.4491 (2)	0.0545 (18)
C326	0.7515 (3)	0.6611 (5)	0.4484 (3)	0.066 (2)
C325	0.8066 (3)	0.6502 (6)	0.5004 (3)	0.068 (2)
C309	0.9343 (3)	0.1533 (6)	0.2342 (3)	0.064 (2)
C348	0.4321 (3)	0.2174 (7)	0.2082 (3)	0.079 (3)
H348	0.415008	0.164872	0.205991	0.095*
C355	0.2675 (3)	0.2190 (6)	0.4116 (3)	0.067 (2)
H355	0.252154	0.250202	0.388984	0.080*
N306	0.8205 (4)	0.0945 (6)	0.3965 (3)	0.094 (3)
O2A	0.2545 (4)	0.0302 (7)	0.1849 (3)	0.090 (3)	0.7115
O3A	0.3908 (3)	0.0746 (7)	0.2661 (3)	0.083 (3)	0.7115
C356	0.2638 (3)	0.1272 (5)	0.4125 (3)	0.064 (2)
H356	0.245997	0.096278	0.391065	0.077*
C338	0.5319 (3)	0.6415 (6)	0.2844 (3)	0.073 (3)
H338	0.532037	0.603145	0.262415	0.088*
C301	1.0372 (3)	−0.2065 (6)	0.2803 (3)	0.065 (2)
H301	1.052763	−0.220556	0.260292	0.077*
C334	0.7162 (3)	0.7136 (6)	0.4223 (3)	0.068 (2)
C372	0.3498 (3)	−0.3185 (6)	0.5569 (3)	0.071 (3)
H372	0.342547	−0.376607	0.564193	0.085*
C352	0.3967 (3)	0.4475 (6)	0.3535 (3)	0.066 (2)
C349	0.4317 (3)	0.2743 (7)	0.2398 (3)	0.074 (2)
H349	0.414915	0.260703	0.259018	0.089*
C367	0.2007 (3)	−0.2804 (6)	0.4147 (3)	0.078 (3)
H367	0.219141	−0.310929	0.435900	0.094*
C344	0.4271 (3)	0.4618 (6)	0.3267 (2)	0.064 (2)
C324	0.7840 (3)	0.5291 (5)	0.4642 (3)	0.064 (2)
C364	0.1815 (3)	−0.1505 (6)	0.3757 (3)	0.075 (3)
H364	0.186105	−0.089854	0.369990	0.090*
C366	0.1661 (3)	−0.3228 (6)	0.3919 (3)	0.080 (3)
H366	0.160756	−0.382961	0.397930	0.096*
C359	0.3138 (4)	0.2212 (6)	0.4719 (3)	0.081 (3)
H359	0.331325	0.253992	0.492885	0.097*
C335	0.7097 (3)	0.8016 (6)	0.4293 (3)	0.079 (3)
H335	0.727921	0.831958	0.450668	0.095*
C365	0.1472 (3)	−0.1976 (6)	0.3531 (3)	0.080 (3)
H365	0.128798	−0.169137	0.331265	0.096*
C327	0.8379 (3)	0.6957 (6)	0.5330 (3)	0.076 (3)
C321	0.7838 (3)	0.4323 (6)	0.4571 (3)	0.069 (2)
C369	0.3684 (4)	−0.1503 (6)	0.5379 (3)	0.087 (4)
H369	0.375423	−0.090763	0.532395	0.105*
C358	0.3124 (4)	0.1302 (6)	0.4747 (3)	0.077 (3)
H358	0.329343	0.100869	0.497147	0.093*
C304	0.9911 (4)	−0.1684 (7)	0.3365 (3)	0.082 (3)
H304	0.974582	−0.157558	0.356116	0.098*
C308	0.9066 (4)	0.0471 (6)	0.3189 (3)	0.071 (2)
C316	0.8772 (4)	0.0624 (7)	0.3463 (3)	0.079 (3)
C310	0.9673 (4)	0.1605 (8)	0.2162 (4)	0.091 (3)
H310	0.992753	0.126470	0.225615	0.109*
C371	0.3229 (3)	−0.2771 (6)	0.5252 (2)	0.068 (2)
H371	0.298527	−0.307619	0.510248	0.082*
C331	0.8344 (4)	0.7847 (6)	0.5410 (3)	0.083 (3)
H331	0.811282	0.818288	0.525691	0.100*
C337	0.5587 (3)	0.7180 (7)	0.2905 (3)	0.078 (3)
H337	0.577367	0.728943	0.272636	0.094*
C336	0.6762 (3)	0.8457 (6)	0.4044 (3)	0.080 (3)
H336	0.672041	0.907197	0.408929	0.096*
C328	0.8714 (4)	0.6472 (7)	0.5558 (4)	0.091 (4)
H328	0.874072	0.584891	0.552223	0.110*
C346	0.4824 (4)	0.3629 (7)	0.2167 (3)	0.085 (3)
H346	0.502063	0.411516	0.219943	0.102*
C319	0.8057 (4)	0.2807 (6)	0.4755 (4)	0.086 (3)
H319	0.823199	0.240929	0.493475	0.103*
C330	0.8632 (4)	0.8254 (7)	0.5701 (3)	0.086 (3)
H330	0.858866	0.886206	0.575917	0.103*
C347	0.4804 (4)	0.3031 (7)	0.1851 (3)	0.085 (3)
H347	0.497818	0.313758	0.166044	0.102*
C323	0.7576 (4)	0.3037 (7)	0.4177 (3)	0.092 (3)
H323	0.739685	0.280049	0.394340	0.110*
O1A	0.2907 (3)	0.2401 (8)	0.3070 (3)	0.099 (3)	0.7115
H1A	0.271394	0.267585	0.290929	0.148*	0.7115
C322	0.7589 (4)	0.3946 (6)	0.4234 (3)	0.087 (3)
H322	0.742327	0.432067	0.403690	0.105*
C353	0.3613 (5)	0.3936 (8)	0.3427 (4)	0.096 (4)
H353	0.355230	0.364552	0.317615	0.116*
C329	0.9012 (4)	0.6941 (7)	0.5842 (4)	0.096 (4)
H329	0.925000	0.662084	0.599316	0.115*
C368	0.3942 (4)	−0.1974 (7)	0.5682 (3)	0.099 (4)
H368	0.419408	−0.169531	0.583087	0.119*
C320	0.8078 (4)	0.3731 (6)	0.4841 (3)	0.082 (3)
H320	0.825434	0.394347	0.508098	0.098*
C354	0.3344 (5)	0.3826 (8)	0.3696 (4)	0.099 (4)
H354	0.310216	0.343774	0.362511	0.119*
C311	0.9656 (4)	0.2180 (8)	0.1832 (4)	0.095 (4)
H311	0.989746	0.221010	0.170773	0.114*
C333	0.6891 (5)	0.6707 (7)	0.3919 (4)	0.122 (6)
H333	0.692530	0.609463	0.386297	0.146*
C315	0.8820 (5)	0.0209 (8)	0.3821 (4)	0.099 (4)
H315	0.904549	−0.021447	0.389970	0.119*
C305	1.0195 (4)	−0.2385 (8)	0.3405 (4)	0.094 (4)
H305	1.022762	−0.275442	0.363379	0.113*
C7A	0.3232 (4)	0.0478 (7)	0.2262 (4)	0.070 (3)	0.7115
C350	0.3748 (4)	0.4725 (9)	0.4141 (4)	0.092 (3)
H350	0.380072	0.499502	0.439680	0.110*
C332	0.6563 (5)	0.7222 (8)	0.3698 (4)	0.124 (6)
H332	0.636634	0.693063	0.349024	0.148*
C340	0.5043 (5)	0.6847 (8)	0.3400 (4)	0.102 (4)
H340	0.483837	0.679050	0.356599	0.123*
C341	0.5343 (6)	0.7564 (9)	0.3448 (5)	0.121 (5)
H341	0.536521	0.793693	0.367461	0.145*
C351	0.4026 (4)	0.4878 (9)	0.3905 (3)	0.094 (3)
H351	0.426602	0.526298	0.399122	0.112*
C318	0.8162 (6)	0.1375 (10)	0.3628 (5)	0.122 (6)
H318	0.793834	0.180722	0.356399	0.146*
C8A	0.2895 (5)	−0.0095 (7)	0.2089 (4)	0.082 (4)	0.7115
C12A	0.3602 (5)	0.0139 (8)	0.2512 (4)	0.078 (4)	0.7115
C317	0.8430 (5)	0.1225 (10)	0.3360 (4)	0.110 (5)
H317	0.838091	0.152675	0.311129	0.132*
C2A	0.3237 (3)	0.2636 (6)	0.1691 (2)	0.083 (4)	0.7115
H2A	0.327124	0.282052	0.143520	0.100*	0.7115
C1A	0.3176 (3)	0.3265 (4)	0.1971 (3)	0.088 (5)	0.7115
H1AA	0.316809	0.388066	0.190582	0.105*	0.7115
C6A	0.3126 (3)	0.2995 (5)	0.2346 (3)	0.090 (5)	0.7115
H6A	0.308449	0.342495	0.253665	0.108*	0.7115
C5A	0.3138 (3)	0.2094 (5)	0.2441 (2)	0.080 (4)	0.7115
C4A	0.3199 (3)	0.1464 (4)	0.2161 (2)	0.068 (3)	0.7115
C3A	0.3249 (3)	0.1735 (5)	0.1786 (2)	0.070 (3)	0.7115
H3A	0.329078	0.130463	0.159543	0.084*	0.7115
C314	0.8546 (6)	0.0402 (10)	0.4065 (4)	0.113 (5)
H314	0.859873	0.013621	0.432099	0.136*
C11A	0.3634 (6)	−0.0779 (8)	0.2582 (5)	0.096 (5)	0.7115
H11A	0.388848	−0.101655	0.274661	0.115*	0.7115
C10A	0.3303 (6)	−0.1338 (10)	0.2416 (5)	0.106 (6)	0.7115
H10A	0.332855	−0.195948	0.246845	0.127*	0.7115
C9A	0.2934 (7)	−0.1005 (8)	0.2173 (4)	0.101 (6)	0.7115
H9A	0.270432	−0.139742	0.206249	0.121*	0.7115
C14A	0.2164 (7)	−0.0233 (13)	0.1703 (5)	0.115 (7)	0.7115
H14A	0.210309	−0.024000	0.141106	0.172*	0.7115
H14B	0.191610	0.002186	0.179430	0.172*	0.7115
H14C	0.221455	−0.084235	0.180323	0.172*	0.7115
C313	0.9218 (14)	0.2450 (16)	0.2358 (8)	0.094 (9)	0.323 (19)
H313	0.914409	0.268997	0.259126	0.113*	0.323 (19)
C13A	0.3115 (7)	0.1795 (10)	0.2860 (4)	0.100 (5)	0.7115
H13A	0.296067	0.121850	0.284254	0.120*	0.7115
H13B	0.341354	0.169598	0.301308	0.120*	0.7115
C312	0.9209 (16)	0.2965 (19)	0.2031 (8)	0.103 (10)	0.323 (19)
H312	0.911813	0.356645	0.203765	0.124*	0.323 (19)
C15A	0.4296 (6)	0.0401 (15)	0.2915 (8)	0.142 (9)	0.7115
H15A	0.448803	0.015987	0.275110	0.214*	0.7115
H15B	0.421796	−0.007224	0.308380	0.214*	0.7115
H15C	0.444412	0.088129	0.308317	0.214*	0.7115
I406	0.9179 (3)	0.9910 (4)	0.6395 (5)	0.145 (3)	0.42 (2)
Zn43	0.9503 (4)	0.8408 (8)	0.6287 (3)	0.118 (5)	0.42 (2)
I405	1.0160 (3)	0.8175 (11)	0.5995 (4)	0.167 (4)	0.42 (2)
I302	1.06620 (13)	−0.4780 (2)	0.36547 (15)	0.158 (2)	0.5697
Zn31	1.0909 (2)	−0.3564 (4)	0.3243 (2)	0.093 (3)	0.5697
I301	1.11680 (14)	−0.3847 (5)	0.2613 (2)	0.0992 (15)	0.5697
I408	0.56328 (17)	0.9746 (5)	0.3862 (5)	0.128 (3)	0.322 (13)
Zn44	0.5987 (4)	0.8747 (8)	0.3420 (4)	0.092 (4)	0.322 (13)
I407	0.6277 (4)	0.9132 (6)	0.2817 (3)	0.111 (2)	0.322 (13)
I312	0.3951 (2)	−0.4940 (4)	0.63444 (16)	0.0792 (10)	0.3811
Zn36	0.4291 (3)	−0.3451 (9)	0.6217 (4)	0.067 (3)	0.3811
I311	0.5019 (3)	−0.3275 (5)	0.6008 (2)	0.0885 (13)	0.3811
I404	0.70210 (18)	0.0923 (4)	0.3898 (2)	0.0841 (18)	0.3611
Zn42	0.7776 (4)	0.1138 (8)	0.4335 (4)	0.094 (6)	0.3611
I403	0.8052 (2)	0.0256 (5)	0.4956 (2)	0.095 (3)	0.3611
I410	0.2203 (3)	0.4526 (4)	0.4069 (3)	0.267 (7)	0.359 (9)
I409	0.3300 (4)	0.4560 (5)	0.5065 (3)	0.316 (10)	0.359 (9)
Zn45	0.2950 (4)	0.4004 (6)	0.4392 (3)	0.193 (8)	0.359 (9)
I512	0.4013 (8)	−0.4911 (8)	0.6368 (5)	0.214 (9)	0.2882
I511	0.4982 (6)	−0.3437 (12)	0.5962 (3)	0.157 (8)	0.2882
Zn56	0.4322 (9)	−0.3494 (13)	0.6200 (4)	0.098 (8)	0.2882
I503	0.8300 (4)	0.0393 (7)	0.5109 (4)	0.184 (7)	0.2211
I504	0.7201 (4)	0.0598 (5)	0.4083 (4)	0.189 (5)	0.2211
Zn52	0.7937 (11)	0.1073 (18)	0.4425 (11)	0.176 (15)	0.2211
I501	1.1065 (12)	−0.439 (3)	0.2903 (10)	0.080*	0.0208
I502	1.0527 (12)	−0.457 (2)	0.4043 (11)	0.080*	0.0208
Zn51	1.078 (3)	−0.376 (3)	0.3478 (16)	0.080*	0.0208
I604	0.7392 (19)	0.038 (5)	0.4392 (18)	0.080*	0.0121
I603	0.873 (2)	0.075 (5)	0.5255 (17)	0.080*	0.0121
Zn62	0.810 (3)	0.110 (9)	0.465 (4)	0.080*	0.0121
C4B	0.7333 (12)	0.2407 (17)	0.2618 (10)	0.103 (9)	0.1787
C3B	0.7221 (14)	0.166 (2)	0.2814 (9)	0.106 (12)	0.1787
H3B	0.704424	0.172286	0.300527	0.127*	0.1787
C2B	0.7367 (17)	0.0823 (18)	0.2730 (10)	0.094 (11)	0.1787
H2B	0.729025	0.031344	0.286412	0.113*	0.1787
C1B	0.7625 (17)	0.0732 (18)	0.2451 (10)	0.096 (12)	0.1787
H1B	0.772487	0.015995	0.239341	0.115*	0.1787
C6B	0.7737 (13)	0.148 (2)	0.2255 (9)	0.095 (10)	0.1787
H6B	0.791349	0.141589	0.206384	0.114*	0.1787
C5B	0.7591 (11)	0.2315 (19)	0.2339 (9)	0.095 (9)	0.1787
O3B	0.7874 (13)	0.334 (3)	0.3219 (12)	0.115 (12)	0.1787
O2B	0.6605 (13)	0.315 (3)	0.2256 (12)	0.118 (13)	0.1787
C7B	0.7219 (10)	0.3306 (19)	0.2740 (9)	0.123 (11)	0.1787
C12B	0.7503 (11)	0.377 (2)	0.3035 (9)	0.106 (11)	0.1787
C11B	0.7397 (15)	0.462 (2)	0.3144 (10)	0.112 (12)	0.1787
H11B	0.759120	0.493335	0.334565	0.135*	0.1787
C10B	0.7008 (17)	0.501 (2)	0.2958 (14)	0.129 (15)	0.1787
H10B	0.693597	0.558714	0.303214	0.154*	0.1787
C9B	0.6724 (13)	0.454 (3)	0.2663 (13)	0.129 (15)	0.1787
H9B	0.645849	0.481001	0.253559	0.155*	0.1787
C8B	0.6830 (10)	0.369 (2)	0.2554 (10)	0.122 (13)	0.1787
C14B	0.6204 (19)	0.350 (5)	0.204 (2)	0.13 (2)	0.1787
H14D	0.620628	0.348721	0.175077	0.195*	0.1787
H14E	0.616735	0.411049	0.211944	0.195*	0.1787
H14F	0.596417	0.313026	0.208557	0.195*	0.1787
C819	0.6321 (19)	0.594 (3)	0.2447 (16)	0.120 (16)	0.1865
H81A	0.617561	0.603215	0.267359	0.144*	0.1865
H81B	0.657933	0.633396	0.249161	0.144*	0.1865
C824	0.6470 (16)	0.497 (3)	0.2448 (17)	0.125 (16)	0.1865
H82A	0.661432	0.480271	0.272152	0.150*	0.1865
H82B	0.668487	0.491837	0.227633	0.150*	0.1865
C823	0.609 (2)	0.433 (3)	0.2298 (18)	0.131 (17)	0.1865
H82C	0.589973	0.431948	0.249139	0.158*	0.1865
H82D	0.620666	0.372588	0.227826	0.158*	0.1865
C822	0.5829 (19)	0.462 (3)	0.1888 (16)	0.134 (17)	0.1865
H82E	0.601676	0.460926	0.169036	0.161*	0.1865
H82F	0.558710	0.419948	0.179962	0.161*	0.1865
C821	0.5649 (16)	0.557 (4)	0.1913 (17)	0.131 (17)	0.1865
H82G	0.548892	0.575070	0.164615	0.157*	0.1865
H82H	0.544263	0.556283	0.209419	0.157*	0.1865
C820	0.601 (2)	0.624 (3)	0.2065 (18)	0.131 (17)	0.1865
H82I	0.618034	0.633033	0.185530	0.158*	0.1865
H82J	0.588032	0.681392	0.211277	0.158*	0.1865
C811	0.5275 (9)	0.361 (2)	0.5238 (12)	0.080*	0.2373
H81C	0.545811	0.364206	0.550964	0.096*	0.2373
H81D	0.546000	0.373484	0.504446	0.096*	0.2373
C812	0.5073 (11)	0.2679 (19)	0.5164 (10)	0.080*	0.2373
H81E	0.488267	0.265558	0.489542	0.096*	0.2373
H81F	0.530369	0.222749	0.517553	0.096*	0.2373
C807	0.4808 (11)	0.2475 (18)	0.5479 (11)	0.080*	0.2373
H80A	0.499773	0.250843	0.574777	0.096*	0.2373
H80B	0.468863	0.186483	0.544040	0.096*	0.2373
C808	0.4438 (9)	0.3151 (19)	0.5447 (12)	0.080*	0.2373
H80C	0.423525	0.308145	0.518661	0.096*	0.2373
H80D	0.427514	0.303688	0.565894	0.096*	0.2373
C809	0.4617 (11)	0.4101 (18)	0.5486 (11)	0.080*	0.2373
H80E	0.437207	0.452706	0.543868	0.096*	0.2373
H80F	0.478305	0.419293	0.576057	0.096*	0.2373
C810	0.4909 (11)	0.4292 (19)	0.5193 (11)	0.080*	0.2373
H81G	0.503330	0.489710	0.524191	0.096*	0.2373
H81H	0.473563	0.427236	0.491784	0.096*	0.2373
C816	0.9142 (17)	0.212 (3)	0.5451 (12)	0.121 (14)	0.2039
H81I	0.922523	0.262289	0.563609	0.145*	0.2039
H81J	0.883382	0.197615	0.544208	0.145*	0.2039
C815	0.9423 (18)	0.131 (3)	0.5601 (9)	0.125 (14)	0.2039
H81K	0.937243	0.112753	0.586537	0.150*	0.2039
H81L	0.973246	0.146720	0.563343	0.150*	0.2039
C814	0.9322 (19)	0.052 (3)	0.5314 (11)	0.119 (14)	0.2039
H81M	0.902032	0.031670	0.530047	0.143*	0.2039
H81N	0.951756	0.001390	0.541426	0.143*	0.2039
C813	0.9380 (17)	0.078 (3)	0.4896 (10)	0.117 (14)	0.2039
H81O	0.929816	0.027235	0.471140	0.141*	0.2039
H81P	0.968726	0.092557	0.490450	0.141*	0.2039
C818	0.9094 (15)	0.159 (3)	0.4747 (9)	0.109 (13)	0.2039
H81Q	0.913805	0.176346	0.448096	0.131*	0.2039
H81R	0.878547	0.142524	0.472202	0.131*	0.2039
C817	0.9203 (18)	0.238 (3)	0.5034 (13)	0.123 (14)	0.2039
H81S	0.901149	0.288550	0.493353	0.147*	0.2039
H81T	0.950603	0.256365	0.504715	0.147*	0.2039
O1B	0.7971 (18)	0.310 (4)	0.1900 (17)	0.16 (2)	0.1787
H1BA	0.817925	0.344425	0.198105	0.243*	0.1787
C13B	0.7665 (16)	0.318 (2)	0.2147 (14)	0.118 (13)	0.1787
H13C	0.738716	0.339699	0.198511	0.141*	0.1787
H13D	0.776972	0.362966	0.235576	0.141*	0.1787
C15B	0.818 (2)	0.386 (6)	0.350 (2)	0.16 (3)	0.1787
H15D	0.836318	0.420777	0.336411	0.236*	0.1787
H15E	0.836005	0.345433	0.369282	0.236*	0.1787
H15F	0.802106	0.425913	0.364782	0.236*	0.1787
C804	0.6670 (13)	0.256 (3)	0.6620 (7)	0.129 (13)	0.2497
H80G	0.682106	0.218326	0.684341	0.155*	0.2497
H80H	0.662734	0.315534	0.672769	0.155*	0.2497
C805	0.6226 (14)	0.215 (3)	0.6445 (10)	0.129 (13)	0.2497
H80I	0.626421	0.152286	0.636479	0.155*	0.2497
H80J	0.604661	0.213941	0.665000	0.155*	0.2497
C806	0.5995 (11)	0.268 (3)	0.6084 (9)	0.114 (12)	0.2497
H80K	0.593534	0.329184	0.616808	0.137*	0.2497
H80L	0.571421	0.239706	0.596696	0.137*	0.2497
C801	0.6277 (12)	0.273 (3)	0.5769 (7)	0.110 (12)	0.2497
H80M	0.632541	0.212214	0.567556	0.133*	0.2497
H80N	0.612461	0.307919	0.553693	0.133*	0.2497
C802	0.6716 (12)	0.317 (2)	0.5943 (9)	0.105 (11)	0.2497
H80O	0.666863	0.378969	0.602201	0.126*	0.2497
H80P	0.689555	0.318485	0.573940	0.126*	0.2497
C803	0.6953 (12)	0.264 (3)	0.6309 (10)	0.129 (13)	0.2497
H80Q	0.702616	0.204040	0.622494	0.155*	0.2497
H80R	0.722679	0.294866	0.642883	0.155*	0.2497
C413	0.8951 (5)	0.1986 (12)	0.2160 (4)	0.082 (5)	0.677 (19)
H413	0.869501	0.192600	0.226205	0.099*	0.677 (19)
C412	0.8957 (5)	0.2502 (13)	0.1836 (5)	0.088 (5)	0.677 (19)
H412	0.869390	0.276466	0.170081	0.106*	0.677 (19)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I401	0.112 (4)	0.068 (2)	0.134 (3)	0.006 (2)	−0.029 (3)	−0.0362 (19)
I306	0.096 (2)	0.0412 (9)	0.0838 (16)	−0.0099 (6)	−0.0292 (11)	−0.0050 (8)
I402	0.0712 (12)	0.0310 (13)	0.135 (2)	−0.0041 (8)	−0.0106 (14)	0.0239 (13)
I412	0.270 (14)	0.054 (4)	0.132 (7)	−0.041 (5)	−0.122 (7)	0.040 (4)
I303	0.075 (2)	0.0391 (11)	0.0740 (12)	0.0057 (12)	0.0249 (12)	0.0067 (8)
I310	0.0861 (10)	0.0328 (7)	0.1433 (15)	0.0046 (6)	0.0177 (9)	−0.0113 (7)
I309	0.1479 (18)	0.0548 (10)	0.0791 (11)	−0.0412 (9)	0.0380 (10)	−0.0341 (7)
I307	0.0750 (12)	0.0845 (15)	0.1169 (14)	−0.0001 (9)	−0.0064 (9)	0.0427 (11)
I304	0.100 (2)	0.0540 (19)	0.111 (3)	−0.0035 (14)	−0.028 (2)	−0.0016 (17)
I411	0.286 (12)	0.266 (14)	0.093 (5)	0.195 (12)	−0.031 (5)	0.034 (6)
I305	0.103 (2)	0.120 (2)	0.0818 (15)	−0.0366 (13)	0.0196 (11)	−0.0088 (14)
I308	0.1055 (12)	0.0440 (8)	0.132 (2)	−0.0025 (6)	−0.0192 (10)	−0.0121 (10)
Zn41	0.043 (3)	0.040 (4)	0.102 (6)	0.004 (3)	−0.005 (3)	−0.006 (3)
Zn46	0.146 (11)	0.038 (6)	0.072 (7)	0.026 (6)	−0.077 (6)	−0.013 (4)
Zn33	0.077 (2)	0.050 (2)	0.056 (2)	−0.0112 (16)	−0.006 (2)	0.0077 (16)
Zn35	0.0891 (18)	0.0253 (17)	0.0766 (17)	−0.0071 (12)	0.0203 (15)	−0.0113 (12)
Zn34	0.0668 (16)	0.0419 (15)	0.091 (2)	−0.0070 (11)	−0.0302 (15)	0.0163 (14)
Zn32	0.077 (4)	0.037 (4)	0.064 (3)	0.008 (3)	0.002 (2)	−0.001 (2)
N322	0.063 (4)	0.030 (3)	0.056 (3)	0.001 (3)	−0.009 (3)	−0.006 (2)
N320	0.067 (4)	0.036 (3)	0.059 (4)	0.001 (3)	−0.014 (3)	−0.004 (3)
N315	0.062 (4)	0.042 (3)	0.060 (4)	−0.004 (3)	−0.015 (3)	0.003 (3)
N301	0.063 (4)	0.047 (4)	0.078 (5)	−0.001 (3)	−0.021 (4)	0.001 (3)
N303	0.068 (4)	0.045 (4)	0.057 (4)	0.005 (3)	0.000 (3)	0.002 (3)
N321	0.060 (4)	0.030 (3)	0.057 (3)	−0.002 (3)	−0.007 (3)	−0.006 (3)
N314	0.071 (4)	0.050 (4)	0.066 (4)	−0.004 (3)	−0.014 (4)	0.008 (3)
N316	0.070 (4)	0.045 (4)	0.057 (4)	−0.004 (3)	−0.011 (3)	0.005 (3)
N310	0.082 (5)	0.039 (4)	0.066 (4)	−0.006 (3)	−0.020 (4)	0.011 (3)
N302	0.072 (4)	0.058 (4)	0.057 (4)	0.006 (3)	0.002 (3)	0.007 (3)
N319	0.100 (6)	0.037 (4)	0.076 (5)	−0.002 (4)	0.009 (4)	−0.007 (3)
N309	0.083 (5)	0.035 (3)	0.077 (4)	−0.002 (3)	−0.016 (4)	0.006 (3)
N317	0.078 (5)	0.063 (5)	0.057 (4)	−0.006 (4)	−0.012 (4)	−0.009 (3)
N308	0.083 (5)	0.038 (4)	0.073 (4)	−0.008 (3)	−0.009 (4)	0.007 (3)
N307	0.099 (6)	0.046 (4)	0.081 (5)	−0.001 (4)	0.014 (5)	−0.002 (4)
N323	0.073 (4)	0.034 (3)	0.086 (5)	0.004 (3)	−0.035 (4)	−0.006 (3)
N313	0.080 (5)	0.054 (5)	0.095 (6)	−0.010 (4)	−0.015 (5)	−0.007 (4)
N305	0.087 (5)	0.050 (4)	0.059 (4)	0.000 (4)	−0.012 (4)	0.007 (3)
N304	0.102 (6)	0.048 (4)	0.069 (4)	0.017 (4)	0.013 (4)	0.004 (3)
N324	0.106 (6)	0.039 (4)	0.061 (4)	0.009 (4)	−0.037 (4)	−0.014 (3)
N318	0.109 (6)	0.040 (4)	0.080 (5)	−0.001 (4)	0.014 (5)	−0.001 (4)
C303	0.070 (5)	0.043 (4)	0.052 (4)	−0.001 (4)	−0.012 (4)	0.001 (3)
N312	0.090 (5)	0.039 (4)	0.098 (6)	−0.007 (4)	−0.024 (5)	0.013 (4)
N311	0.100 (6)	0.049 (4)	0.080 (5)	−0.007 (4)	−0.025 (4)	0.018 (4)
C342	0.069 (5)	0.045 (4)	0.061 (5)	0.001 (4)	−0.023 (4)	0.001 (4)
C362	0.062 (4)	0.035 (4)	0.053 (4)	0.002 (3)	−0.007 (3)	−0.003 (3)
C306	0.068 (5)	0.045 (4)	0.051 (4)	0.002 (4)	−0.008 (4)	0.008 (3)
C345	0.071 (5)	0.041 (4)	0.058 (4)	−0.007 (4)	−0.018 (4)	0.003 (3)
C357	0.070 (5)	0.035 (4)	0.058 (4)	−0.006 (3)	0.002 (4)	−0.005 (3)
C339	0.068 (5)	0.035 (4)	0.080 (6)	−0.003 (4)	−0.015 (4)	0.000 (4)
C361	0.057 (4)	0.030 (3)	0.059 (4)	0.002 (3)	−0.011 (3)	−0.008 (3)
C302	0.071 (5)	0.042 (4)	0.070 (5)	0.003 (4)	−0.004 (4)	0.011 (4)
C363	0.065 (5)	0.031 (4)	0.062 (4)	0.000 (3)	−0.012 (4)	−0.007 (3)
C343	0.069 (5)	0.041 (4)	0.054 (4)	−0.001 (4)	−0.018 (4)	0.001 (3)
C370	0.070 (5)	0.037 (4)	0.061 (4)	0.001 (3)	−0.019 (4)	−0.007 (3)
C307	0.073 (5)	0.046 (5)	0.065 (5)	0.011 (4)	−0.003 (4)	0.005 (4)
C360	0.071 (5)	0.029 (4)	0.054 (4)	0.003 (3)	−0.009 (4)	0.000 (3)
C326	0.089 (6)	0.031 (4)	0.066 (5)	−0.003 (4)	−0.011 (4)	0.014 (3)
C325	0.083 (6)	0.039 (4)	0.071 (5)	0.003 (4)	−0.012 (4)	0.016 (4)
C309	0.083 (6)	0.043 (4)	0.062 (5)	0.008 (4)	0.001 (4)	0.006 (4)
C348	0.065 (5)	0.062 (6)	0.094 (7)	−0.006 (4)	−0.022 (5)	−0.015 (5)
C355	0.084 (6)	0.039 (4)	0.067 (5)	0.006 (4)	−0.010 (4)	−0.002 (4)
N306	0.122 (8)	0.068 (6)	0.101 (7)	0.022 (5)	0.040 (6)	0.005 (5)
O2A	0.131 (9)	0.068 (6)	0.068 (5)	−0.048 (6)	0.011 (6)	−0.015 (5)
O3A	0.079 (6)	0.063 (6)	0.106 (7)	0.016 (5)	0.020 (5)	0.013 (5)
C356	0.072 (5)	0.035 (4)	0.074 (5)	−0.003 (4)	−0.011 (4)	0.001 (4)
C338	0.089 (6)	0.050 (5)	0.065 (5)	−0.007 (4)	−0.018 (5)	0.001 (4)
C301	0.064 (5)	0.057 (5)	0.064 (5)	−0.003 (4)	−0.007 (4)	−0.003 (4)
C334	0.076 (5)	0.039 (4)	0.073 (5)	−0.007 (4)	−0.022 (4)	0.013 (4)
C372	0.102 (7)	0.036 (4)	0.059 (5)	0.003 (4)	−0.019 (5)	−0.003 (3)
C352	0.072 (5)	0.049 (5)	0.067 (5)	0.002 (4)	−0.008 (4)	0.004 (4)
C349	0.073 (6)	0.068 (6)	0.069 (5)	−0.006 (5)	−0.011 (4)	−0.013 (4)
C367	0.077 (6)	0.039 (4)	0.096 (6)	0.001 (4)	−0.033 (5)	0.009 (4)
C344	0.070 (5)	0.054 (5)	0.055 (4)	0.002 (4)	−0.015 (4)	−0.002 (4)
C324	0.082 (6)	0.035 (4)	0.066 (5)	−0.002 (4)	−0.002 (4)	0.008 (3)
C364	0.090 (6)	0.036 (4)	0.083 (6)	−0.006 (4)	−0.023 (5)	0.009 (4)
C366	0.079 (6)	0.032 (4)	0.108 (7)	−0.002 (4)	−0.028 (5)	0.002 (4)
C359	0.121 (8)	0.040 (5)	0.071 (5)	−0.021 (5)	−0.006 (5)	−0.009 (4)
C335	0.085 (6)	0.042 (5)	0.094 (7)	0.003 (4)	−0.020 (5)	−0.004 (4)
C365	0.090 (6)	0.045 (5)	0.081 (6)	−0.004 (4)	−0.039 (5)	0.008 (4)
C327	0.090 (6)	0.046 (5)	0.075 (5)	−0.005 (4)	−0.024 (5)	0.013 (4)
C321	0.087 (6)	0.043 (5)	0.068 (5)	−0.005 (4)	−0.002 (4)	0.007 (4)
C369	0.093 (7)	0.040 (5)	0.097 (7)	−0.002 (4)	−0.054 (6)	0.008 (4)
C358	0.110 (8)	0.038 (4)	0.069 (5)	−0.005 (5)	−0.015 (5)	−0.002 (4)
C304	0.103 (8)	0.066 (6)	0.075 (6)	0.023 (6)	0.013 (5)	0.021 (5)
C308	0.095 (7)	0.055 (5)	0.060 (5)	0.009 (5)	0.005 (5)	0.004 (4)
C316	0.095 (7)	0.068 (6)	0.075 (6)	0.014 (5)	0.017 (5)	0.008 (5)
C310	0.080 (7)	0.085 (8)	0.100 (8)	0.015 (6)	−0.002 (6)	0.041 (6)
C371	0.087 (6)	0.046 (5)	0.056 (4)	0.000 (4)	−0.022 (4)	−0.005 (4)
C331	0.101 (7)	0.041 (5)	0.086 (6)	0.004 (5)	−0.029 (5)	0.012 (4)
C337	0.081 (6)	0.056 (5)	0.082 (6)	−0.008 (5)	−0.019 (5)	0.013 (5)
C336	0.086 (6)	0.045 (5)	0.089 (6)	0.006 (4)	−0.029 (5)	0.001 (4)
C328	0.099 (7)	0.041 (5)	0.110 (8)	0.000 (5)	−0.033 (6)	0.008 (5)
C346	0.111 (8)	0.067 (6)	0.067 (5)	−0.029 (6)	−0.005 (6)	−0.014 (5)
C319	0.101 (8)	0.042 (5)	0.108 (8)	0.016 (5)	0.010 (7)	0.023 (5)
C330	0.104 (8)	0.061 (6)	0.074 (6)	0.003 (5)	−0.025 (5)	0.007 (5)
C347	0.117 (9)	0.064 (6)	0.071 (6)	−0.027 (6)	0.010 (6)	−0.014 (5)
C323	0.126 (10)	0.052 (6)	0.085 (7)	−0.001 (6)	−0.009 (6)	0.000 (5)
O1A	0.073 (6)	0.093 (8)	0.120 (8)	−0.011 (5)	−0.004 (6)	−0.051 (7)
C322	0.118 (9)	0.037 (5)	0.090 (7)	−0.007 (5)	−0.016 (6)	−0.001 (4)
C353	0.120 (10)	0.071 (7)	0.104 (8)	−0.034 (7)	0.035 (8)	−0.032 (6)
C329	0.106 (8)	0.043 (5)	0.108 (8)	−0.002 (5)	−0.051 (6)	0.016 (5)
C368	0.121 (9)	0.042 (5)	0.101 (7)	0.005 (5)	−0.054 (7)	0.007 (5)
C320	0.103 (8)	0.042 (5)	0.090 (7)	0.003 (5)	−0.002 (6)	0.007 (4)
C354	0.116 (9)	0.074 (7)	0.116 (9)	−0.037 (7)	0.042 (8)	−0.039 (7)
C311	0.082 (7)	0.087 (8)	0.110 (8)	−0.001 (6)	0.004 (6)	0.046 (7)
C333	0.143 (11)	0.036 (5)	0.134 (10)	0.005 (6)	−0.091 (9)	0.000 (5)
C315	0.123 (10)	0.085 (8)	0.098 (8)	0.039 (7)	0.044 (8)	0.032 (6)
C305	0.105 (8)	0.078 (7)	0.098 (8)	0.028 (7)	0.017 (7)	0.036 (6)
C7A	0.100 (9)	0.035 (6)	0.079 (7)	−0.010 (6)	0.029 (7)	−0.008 (5)
C350	0.102 (8)	0.089 (8)	0.081 (7)	−0.016 (7)	0.011 (6)	−0.021 (6)
C332	0.125 (10)	0.053 (6)	0.145 (11)	0.002 (6)	−0.081 (9)	−0.004 (7)
C340	0.117 (10)	0.069 (7)	0.123 (10)	−0.023 (7)	0.030 (8)	−0.036 (7)
C341	0.142 (12)	0.079 (9)	0.138 (12)	−0.041 (9)	0.019 (10)	−0.057 (8)
C351	0.103 (8)	0.096 (9)	0.079 (7)	−0.021 (7)	0.010 (6)	−0.018 (6)
C318	0.157 (14)	0.106 (10)	0.119 (10)	0.064 (10)	0.066 (10)	0.036 (9)
C8A	0.136 (12)	0.041 (6)	0.076 (8)	−0.022 (7)	0.040 (8)	−0.014 (6)
C12A	0.112 (10)	0.045 (7)	0.086 (8)	0.019 (7)	0.043 (8)	0.010 (6)
C317	0.127 (11)	0.114 (11)	0.097 (8)	0.059 (9)	0.039 (8)	0.032 (7)
C2A	0.055 (6)	0.064 (8)	0.118 (11)	−0.008 (6)	−0.010 (7)	0.030 (8)
C1A	0.064 (7)	0.046 (7)	0.130 (12)	−0.003 (6)	−0.031 (8)	0.012 (8)
C6A	0.061 (7)	0.047 (7)	0.148 (13)	0.002 (6)	−0.013 (8)	−0.027 (8)
C5A	0.077 (8)	0.045 (7)	0.107 (10)	0.000 (6)	−0.007 (7)	−0.009 (7)
C4A	0.076 (7)	0.031 (5)	0.094 (8)	−0.001 (5)	0.011 (6)	−0.007 (5)
C3A	0.055 (6)	0.041 (6)	0.096 (9)	−0.007 (5)	−0.024 (6)	0.010 (6)
C314	0.150 (13)	0.099 (10)	0.106 (9)	0.030 (9)	0.061 (9)	0.034 (8)
C11A	0.150 (14)	0.064 (9)	0.092 (10)	0.028 (9)	0.065 (10)	0.010 (8)
C10A	0.199 (19)	0.041 (7)	0.099 (11)	0.001 (10)	0.081 (12)	−0.004 (7)
C9A	0.183 (17)	0.054 (8)	0.077 (9)	−0.036 (10)	0.050 (10)	−0.016 (7)
C14A	0.152 (17)	0.104 (13)	0.099 (11)	−0.078 (13)	0.052 (12)	−0.045 (10)
C313	0.103 (19)	0.090 (18)	0.086 (17)	0.020 (16)	0.015 (16)	0.014 (15)
C13A	0.130 (14)	0.063 (9)	0.104 (11)	0.018 (9)	0.018 (10)	−0.019 (8)
C312	0.12 (2)	0.080 (18)	0.102 (19)	0.015 (17)	0.007 (17)	0.010 (16)
C15A	0.080 (11)	0.098 (15)	0.23 (3)	0.023 (10)	0.000 (14)	0.047 (16)
I406	0.227 (6)	0.0460 (15)	0.113 (5)	−0.017 (2)	−0.077 (3)	−0.0036 (19)
Zn43	0.156 (8)	0.057 (4)	0.097 (6)	−0.024 (4)	−0.072 (5)	0.019 (4)
I405	0.206 (7)	0.156 (6)	0.124 (5)	−0.072 (4)	0.003 (3)	0.027 (4)
I302	0.173 (3)	0.0430 (14)	0.193 (3)	−0.0249 (14)	−0.111 (3)	0.0399 (17)
Zn31	0.097 (4)	0.034 (3)	0.110 (4)	0.001 (2)	−0.064 (3)	−0.007 (3)
I301	0.0543 (11)	0.085 (3)	0.142 (3)	0.0023 (11)	−0.0167 (13)	−0.066 (2)
I408	0.154 (3)	0.053 (2)	0.163 (7)	−0.0121 (18)	0.002 (3)	−0.019 (3)
Zn44	0.099 (6)	0.047 (4)	0.111 (7)	−0.002 (3)	−0.023 (4)	−0.004 (4)
I407	0.100 (5)	0.081 (3)	0.127 (4)	−0.007 (3)	−0.032 (3)	0.036 (3)
I312	0.1097 (19)	0.043 (2)	0.0639 (16)	0.0052 (15)	−0.0314 (15)	0.0002 (15)
Zn36	0.068 (4)	0.054 (6)	0.072 (7)	0.014 (3)	−0.006 (4)	−0.007 (4)
I311	0.087 (2)	0.117 (2)	0.060 (2)	0.0408 (19)	0.0109 (19)	0.018 (2)
I404	0.098 (4)	0.047 (3)	0.114 (4)	−0.017 (2)	0.036 (3)	−0.028 (3)
Zn42	0.112 (8)	0.037 (6)	0.159 (13)	0.003 (6)	0.088 (8)	−0.006 (7)
I403	0.111 (6)	0.046 (2)	0.150 (7)	0.022 (3)	0.079 (5)	0.029 (3)
I410	0.314 (11)	0.087 (3)	0.485 (16)	0.106 (5)	0.276 (12)	0.116 (6)
I409	0.63 (2)	0.115 (4)	0.297 (10)	−0.191 (8)	0.305 (14)	−0.135 (6)
Zn45	0.336 (18)	0.036 (5)	0.259 (14)	−0.007 (6)	0.184 (14)	−0.003 (6)
I512	0.295 (16)	0.037 (3)	0.209 (9)	0.011 (5)	−0.176 (10)	−0.007 (3)
I511	0.134 (9)	0.244 (13)	0.079 (4)	0.126 (10)	−0.009 (3)	−0.040 (4)
Zn56	0.175 (18)	0.069 (8)	0.034 (6)	0.058 (8)	−0.019 (7)	−0.013 (5)
I503	0.327 (17)	0.084 (6)	0.188 (10)	0.095 (9)	0.160 (13)	0.073 (6)
I504	0.247 (12)	0.063 (4)	0.272 (13)	−0.052 (5)	0.090 (10)	−0.016 (5)
Zn52	0.31 (4)	0.031 (6)	0.23 (3)	0.017 (16)	0.17 (3)	0.012 (10)
C4B	0.08 (2)	0.127 (18)	0.082 (19)	−0.021 (18)	−0.022 (15)	−0.002 (16)
C3B	0.08 (3)	0.14 (2)	0.09 (2)	0.00 (2)	−0.015 (18)	0.02 (2)
C2B	0.08 (2)	0.13 (2)	0.05 (2)	−0.01 (2)	−0.03 (2)	0.019 (18)
C1B	0.09 (3)	0.13 (2)	0.06 (2)	−0.02 (2)	−0.02 (2)	0.000 (18)
C6B	0.07 (2)	0.13 (2)	0.07 (2)	−0.04 (2)	−0.020 (17)	−0.007 (18)
C5B	0.065 (19)	0.121 (19)	0.079 (18)	−0.044 (18)	−0.032 (13)	−0.016 (17)
O3B	0.16 (3)	0.11 (3)	0.07 (2)	−0.02 (2)	0.018 (17)	0.005 (19)
O2B	0.13 (3)	0.10 (2)	0.12 (3)	−0.01 (2)	0.005 (19)	0.017 (19)
C7B	0.14 (2)	0.131 (19)	0.09 (2)	−0.015 (18)	0.015 (15)	0.003 (17)
C12B	0.15 (2)	0.11 (2)	0.065 (19)	−0.023 (19)	0.035 (16)	0.011 (16)
C11B	0.16 (3)	0.12 (2)	0.08 (2)	−0.01 (2)	0.06 (2)	0.016 (18)
C10B	0.17 (3)	0.12 (3)	0.10 (3)	−0.01 (2)	0.04 (2)	0.00 (2)
C9B	0.16 (3)	0.12 (2)	0.11 (3)	−0.01 (2)	0.04 (2)	0.01 (2)
C8B	0.14 (2)	0.11 (2)	0.11 (2)	−0.014 (19)	0.021 (18)	0.007 (18)
C14B	0.13 (3)	0.09 (4)	0.16 (5)	−0.01 (3)	0.00 (3)	0.04 (4)
C819	0.17 (4)	0.08 (2)	0.14 (3)	0.01 (2)	0.10 (3)	0.00 (3)
C824	0.17 (4)	0.08 (3)	0.16 (4)	0.01 (2)	0.11 (3)	0.00 (3)
C823	0.17 (4)	0.08 (3)	0.18 (4)	0.00 (2)	0.11 (3)	0.02 (3)
C822	0.16 (4)	0.09 (3)	0.18 (4)	0.00 (3)	0.10 (3)	0.02 (3)
C821	0.17 (4)	0.10 (3)	0.15 (4)	0.01 (2)	0.09 (3)	0.01 (3)
C820	0.18 (4)	0.10 (3)	0.14 (3)	0.01 (2)	0.09 (3)	−0.01 (3)
C816	0.07 (2)	0.19 (4)	0.10 (2)	0.00 (2)	0.01 (2)	0.02 (2)
C815	0.10 (3)	0.19 (4)	0.08 (2)	0.01 (2)	0.00 (2)	0.03 (2)
C814	0.11 (3)	0.18 (4)	0.060 (18)	0.01 (3)	−0.009 (19)	0.045 (19)
C813	0.10 (3)	0.18 (4)	0.071 (18)	0.05 (2)	0.011 (19)	0.05 (2)
C818	0.08 (2)	0.17 (4)	0.08 (2)	0.04 (2)	0.02 (2)	0.050 (19)
C817	0.08 (3)	0.18 (4)	0.10 (2)	0.03 (3)	0.02 (2)	0.03 (2)
O1B	0.13 (4)	0.21 (5)	0.13 (4)	0.01 (4)	0.00 (3)	0.07 (4)
C13B	0.10 (3)	0.14 (2)	0.09 (3)	−0.05 (2)	−0.036 (19)	0.01 (2)
C15B	0.19 (5)	0.18 (6)	0.09 (4)	−0.06 (4)	0.00 (3)	0.01 (4)
C804	0.22 (3)	0.10 (3)	0.080 (19)	0.09 (2)	0.068 (19)	0.041 (18)
C805	0.23 (3)	0.10 (3)	0.084 (19)	0.07 (2)	0.08 (2)	0.046 (18)
C806	0.21 (3)	0.09 (2)	0.067 (16)	0.05 (2)	0.074 (18)	0.027 (16)
C801	0.21 (3)	0.07 (2)	0.076 (17)	0.06 (2)	0.082 (18)	0.026 (16)
C802	0.20 (3)	0.061 (19)	0.077 (17)	0.078 (19)	0.075 (19)	0.027 (14)
C803	0.21 (3)	0.10 (2)	0.092 (19)	0.09 (2)	0.073 (19)	0.047 (18)
C413	0.073 (9)	0.097 (11)	0.074 (8)	0.031 (8)	0.007 (7)	0.039 (8)
C412	0.082 (10)	0.090 (11)	0.087 (10)	0.030 (8)	0.005 (8)	0.047 (9)

Geometric parameters (Å, º)

I401—Zn41	2.546 (10)	C329—H329	0.9500
I306—Zn33	2.549 (6)	C368—H368	0.9500
I402—Zn41	2.562 (8)	C320—H320	0.9500
I412—Zn46	2.557 (15)	C354—H354	0.9500
I303—Zn32	2.535 (8)	C311—H311	0.9500
I310—Zn35	2.534 (3)	C333—H333	0.9500
I309—Zn35	2.530 (3)	C333—C332	1.387 (15)
I307—Zn34	2.517 (6)	C315—H315	0.9500
I304—Zn32	2.573 (9)	C315—C314	1.357 (17)
I411—Zn46	2.569 (17)	C305—H305	0.9500
I305—Zn33	2.528 (5)	C7A—C8A	1.400 (12)
I308—Zn34	2.557 (6)	C7A—C12A	1.395 (13)
Zn41—N301	2.051 (10)	C7A—C4A	1.519 (11)
Zn41—N323^i	2.044 (11)	C350—H350	0.9500
Zn46—N305^ii	2.062 (15)	C350—C351	1.334 (17)
Zn46—N324	2.036 (14)	C332—H332	0.9500
Zn33—N317^iii	2.068 (10)	C340—H340	0.9500
Zn33—N311	2.071 (10)	C340—C341	1.421 (18)
Zn35—N319	2.100 (8)	C341—H341	0.9500
Zn35—N318	2.059 (10)	C351—H351	0.9500
Zn34—N313	2.080 (10)	C318—H318	0.9500
Zn34—N312	2.102 (9)	C318—C317	1.395 (18)
Zn32—N307	2.097 (12)	C8A—C9A	1.397 (12)
Zn32—N306	2.092 (13)	C12A—C11A	1.400 (13)
N322—C362	1.338 (10)	C317—H317	0.9500
N322—C361	1.331 (10)	C2A—H2A	0.9500
N320—C362	1.331 (10)	C2A—C1A	1.3900
N320—C360	1.327 (10)	C2A—C3A	1.3900
N315—C342	1.336 (12)	C1A—H1AA	0.9500
N315—C343	1.364 (11)	C1A—C6A	1.3900
N301—C301	1.328 (12)	C6A—H6A	0.9500
N301—C305	1.336 (15)	C6A—C5A	1.3900
N301—Zn31	2.121 (9)	C5A—C4A	1.3900
N301—Zn51	2.32 (7)	C5A—C13A	1.525 (13)
N303—C306	1.339 (11)	C4A—C3A	1.3900
N303—C307	1.365 (11)	C3A—H3A	0.9500
N321—C361	1.323 (10)	C314—H314	0.9500
N321—C360	1.340 (10)	C11A—H11A	0.9500
N314—C342	1.329 (13)	C11A—C10A	1.369 (14)
N314—C344	1.330 (12)	C10A—H10A	0.9500
N316—C343	1.315 (12)	C10A—C9A	1.379 (14)
N316—C344	1.328 (11)	C9A—H9A	0.9500
N310—C326	1.321 (11)	C14A—H14A	0.9800
N310—C325	1.326 (11)	C14A—H14B	0.9800
N302—C306	1.310 (12)	C14A—H14C	0.9800
N302—C308	1.337 (12)	C313—H313	0.9500
N319—C355	1.317 (12)	C313—C312	1.36 (2)
N319—C359	1.327 (13)	C13A—H13A	0.9900
N319—Zn45	2.038 (11)	C13A—H13B	0.9900
N309—C325	1.326 (11)	C312—H312	0.9500
N309—C324	1.334 (11)	C15A—H15A	0.9800
N317—C348	1.319 (14)	C15A—H15B	0.9800
N317—C347	1.314 (13)	C15A—H15C	0.9800
N317—Zn43^iv	2.089 (13)	I406—Zn43	2.536 (10)
N308—C326	1.338 (11)	Zn43—I405	2.507 (11)
N308—C324	1.333 (11)	I302—Zn31	2.530 (7)
N307—C319	1.302 (15)	Zn31—I301	2.504 (7)
N307—C323	1.316 (14)	I408—Zn44	2.554 (11)
N307—Zn42	2.055 (15)	Zn44—I407	2.502 (11)
N307—Zn52	2.17 (3)	I312—Zn36	2.557 (11)
N307—Zn62	2.33 (13)	Zn36—I311	2.561 (14)
N323—C366	1.334 (11)	I404—Zn42	2.558 (14)
N323—C365	1.355 (12)	Zn42—I403	2.511 (14)
N323—Zn31^v	2.092 (9)	I410—Zn45	2.513 (13)
N323—Zn51^v	2.36 (8)	I409—Zn45	2.492 (12)
N313—C337	1.291 (14)	I512—Zn56	2.46 (2)
N313—C341	1.318 (18)	I511—Zn56	2.39 (3)
N313—Zn44	2.019 (14)	I503—Zn52	2.60 (4)
N305—C311	1.278 (14)	I504—Zn52	2.48 (4)
N305—C312	1.35 (2)	I501—Zn51	2.527 (18)
N305—Zn36^vi	2.019 (18)	I502—Zn51	2.550 (18)
N305—Zn56^vi	2.118 (18)	I604—Zn62	2.48 (4)
N305—C412	1.359 (17)	I603—Zn62	2.60 (4)
N304—C307	1.310 (13)	C4B—C3B	1.3900
N304—C308	1.328 (12)	C4B—C5B	1.3900
N324—C372	1.325 (12)	C4B—C7B	1.480 (19)
N324—C368	1.328 (13)	C3B—H3B	0.9500
N324—Zn36	2.075 (12)	C3B—C2B	1.3900
N324—Zn56	2.13 (2)	C2B—H2B	0.9500
N318—C354	1.284 (14)	C2B—C1B	1.3900
N318—C350	1.321 (15)	C1B—H1B	0.9500
N318—Zn45	2.087 (14)	C1B—C6B	1.3900
C303—C306	1.496 (12)	C6B—H6B	0.9500
C303—C302	1.367 (13)	C6B—C5B	1.3900
C303—C304	1.377 (13)	C5B—C13B	1.499 (17)
N312—C336	1.315 (12)	O3B—C12B	1.37 (2)
N312—C332	1.299 (14)	O3B—C15B	1.44 (2)
N312—Zn44	2.038 (14)	O2B—C8B	1.387 (19)
N311—C330	1.365 (13)	O2B—C14B	1.43 (2)
N311—C329	1.348 (13)	C7B—C12B	1.3900
N311—Zn43	2.057 (12)	C7B—C8B	1.3900
C342—C339	1.492 (12)	C12B—C11B	1.3900
C362—C370	1.473 (11)	C11B—H11B	0.9500
C345—C343	1.484 (12)	C11B—C10B	1.3900
C345—C349	1.369 (13)	C10B—H10B	0.9500
C345—C346	1.358 (15)	C10B—C9B	1.3900
C357—C360	1.496 (10)	C9B—H9B	0.9500
C357—C356	1.383 (12)	C9B—C8B	1.3900
C357—C358	1.374 (12)	C14B—H14D	0.9800
C339—C338	1.370 (15)	C14B—H14E	0.9800
C339—C340	1.366 (15)	C14B—H14F	0.9800
C361—C363	1.499 (10)	C819—H81A	0.9900
C302—H302	0.9500	C819—H81B	0.9900
C302—C301	1.370 (13)	C819—C824	1.531 (13)
C363—C367	1.377 (12)	C819—C820	1.530 (13)
C363—C364	1.377 (12)	C824—H82A	0.9900
C370—C369	1.391 (12)	C824—H82B	0.9900
C370—C371	1.376 (12)	C824—C823	1.535 (13)
C307—C309	1.446 (12)	C823—H82C	0.9900
C326—C334	1.501 (12)	C823—H82D	0.9900
C325—C327	1.499 (13)	C823—C822	1.540 (13)
C309—C310	1.323 (15)	C822—H82E	0.9900
C309—C313	1.44 (2)	C822—H82F	0.9900
C309—C413	1.436 (15)	C822—C821	1.537 (13)
C348—H348	0.9500	C821—H82G	0.9900
C348—C349	1.384 (14)	C821—H82H	0.9900
C355—H355	0.9500	C821—C820	1.534 (13)
C355—C356	1.384 (12)	C820—H82I	0.9900
N306—C318	1.306 (16)	C820—H82J	0.9900
N306—C314	1.338 (17)	C811—H81C	0.9900
N306—Zn42	2.062 (14)	C811—H81D	0.9900
N306—Zn52	1.95 (3)	C811—C812	1.537 (13)
N306—Zn62	2.46 (15)	C811—C810	1.529 (13)
O2A—C8A	1.371 (15)	C812—H81E	0.9900
O2A—C14A	1.447 (16)	C812—H81F	0.9900
O3A—C12A	1.350 (18)	C812—C807	1.532 (13)
O3A—C15A	1.442 (17)	C807—H80A	0.9900
C356—H356	0.9500	C807—H80B	0.9900
C338—H338	0.9500	C807—C808	1.536 (13)
C338—C337	1.416 (14)	C808—H80C	0.9900
C301—H301	0.9500	C808—H80D	0.9900
C334—C335	1.366 (13)	C808—C809	1.529 (13)
C334—C333	1.366 (13)	C809—H80E	0.9900
C372—H372	0.9500	C809—H80F	0.9900
C372—C371	1.381 (12)	C809—C810	1.528 (13)
C352—C344	1.477 (14)	C810—H81G	0.9900
C352—C353	1.368 (15)	C810—H81H	0.9900
C352—C351	1.385 (14)	C816—H81I	0.9900
C349—H349	0.9500	C816—H81J	0.9900
C367—H367	0.9500	C816—C815	1.533 (13)
C367—C366	1.362 (13)	C816—C817	1.537 (13)
C324—C321	1.474 (12)	C815—H81K	0.9900
C364—H364	0.9500	C815—H81L	0.9900
C364—C365	1.389 (13)	C815—C814	1.533 (13)
C366—H366	0.9500	C814—H81M	0.9900
C359—H359	0.9500	C814—H81N	0.9900
C359—C358	1.372 (13)	C814—C813	1.536 (13)
C335—H335	0.9500	C813—H81O	0.9900
C335—C336	1.384 (13)	C813—H81P	0.9900
C365—H365	0.9500	C813—C818	1.537 (13)
C327—C331	1.374 (14)	C818—H81Q	0.9900
C327—C328	1.385 (14)	C818—H81R	0.9900
C321—C322	1.379 (14)	C818—C817	1.532 (13)
C321—C320	1.389 (14)	C817—H81S	0.9900
C369—H369	0.9500	C817—H81T	0.9900
C369—C368	1.377 (12)	O1B—H1BA	0.8400
C358—H358	0.9500	O1B—C13B	1.414 (14)
C304—H304	0.9500	C13B—H13C	0.9900
C304—C305	1.370 (15)	C13B—H13D	0.9900
C308—C316	1.471 (15)	C15B—H15D	0.9800
C316—C315	1.359 (15)	C15B—H15E	0.9800
C316—C317	1.395 (16)	C15B—H15F	0.9800
C310—H310	0.9500	C804—H80G	0.9900
C310—C311	1.418 (15)	C804—H80H	0.9900
C371—H371	0.9500	C804—C805	1.535 (13)
C331—H331	0.9500	C804—C803	1.536 (13)
C331—C330	1.352 (14)	C805—H80I	0.9900
C337—H337	0.9500	C805—H80J	0.9900
C336—H336	0.9500	C805—C806	1.533 (13)
C328—H328	0.9500	C806—H80K	0.9900
C328—C329	1.397 (14)	C806—H80L	0.9900
C346—H346	0.9500	C806—C801	1.540 (13)
C346—C347	1.402 (14)	C801—H80M	0.9900
C319—H319	0.9500	C801—H80N	0.9900
C319—C320	1.417 (14)	C801—C802	1.538 (13)
C330—H330	0.9500	C802—H80O	0.9900
C347—H347	0.9500	C802—H80P	0.9900
C323—H323	0.9500	C802—C803	1.542 (13)
C323—C322	1.378 (14)	C803—H80Q	0.9900
O1A—H1A	0.8400	C803—H80R	0.9900
O1A—C13A	1.406 (13)	C413—H413	0.9500
C322—H322	0.9500	C413—C412	1.359 (18)
C353—H353	0.9500	C412—H412	0.9500
C353—C354	1.390 (17)
I401—Zn41—I402	125.6 (4)	C352—C351—H351	119.9
N301—Zn41—I401	111.7 (5)	C350—C351—C352	120.2 (11)
N301—Zn41—I402	105.4 (4)	C350—C351—H351	119.9
N323^i—Zn41—I401	103.2 (4)	N306—C318—H318	118.6
N323^i—Zn41—I402	106.1 (4)	N306—C318—C317	122.7 (12)
N323^i—Zn41—N301	102.4 (5)	C317—C318—H318	118.6
I412—Zn46—I411	127.7 (8)	O2A—C8A—C7A	115.7 (10)
N305^ii—Zn46—I412	105.0 (7)	O2A—C8A—C9A	125.1 (13)
N305^ii—Zn46—I411	105.5 (8)	C9A—C8A—C7A	119.2 (13)
N324—Zn46—I412	108.6 (8)	O3A—C12A—C7A	115.5 (10)
N324—Zn46—I411	104.2 (6)	O3A—C12A—C11A	125.4 (13)
N324—Zn46—N305^ii	103.5 (6)	C7A—C12A—C11A	119.1 (14)
I305—Zn33—I306	125.2 (3)	C316—C317—C318	118.7 (11)
N317^iii—Zn33—I306	107.1 (3)	C316—C317—H317	120.7
N317^iii—Zn33—I305	105.8 (4)	C318—C317—H317	120.7
N317^iii—Zn33—N311	102.5 (4)	C1A—C2A—H2A	120.0
N311—Zn33—I306	108.3 (4)	C1A—C2A—C3A	120.0
N311—Zn33—I305	105.7 (4)	C3A—C2A—H2A	120.0
I309—Zn35—I310	121.00 (13)	C2A—C1A—H1AA	120.0
N319—Zn35—I310	107.9 (3)	C6A—C1A—C2A	120.0
N319—Zn35—I309	109.9 (3)	C6A—C1A—H1AA	120.0
N318—Zn35—I310	107.2 (3)	C1A—C6A—H6A	120.0
N318—Zn35—I309	107.6 (3)	C5A—C6A—C1A	120.0
N318—Zn35—N319	101.4 (3)	C5A—C6A—H6A	120.0
I307—Zn34—I308	126.4 (2)	C6A—C5A—C13A	120.3 (7)
N313—Zn34—I307	110.5 (4)	C4A—C5A—C6A	120.0
N313—Zn34—I308	103.7 (4)	C4A—C5A—C13A	119.6 (7)
N313—Zn34—N312	96.9 (4)	C5A—C4A—C7A	121.2 (7)
N312—Zn34—I307	106.9 (4)	C5A—C4A—C3A	120.0
N312—Zn34—I308	108.5 (3)	C3A—C4A—C7A	118.7 (7)
I303—Zn32—I304	122.0 (4)	C2A—C3A—H3A	120.0
N307—Zn32—I303	110.5 (4)	C4A—C3A—C2A	120.0
N307—Zn32—I304	108.2 (4)	C4A—C3A—H3A	120.0
N306—Zn32—I303	105.7 (4)	N306—C314—C315	123.8 (12)
N306—Zn32—I304	107.5 (5)	N306—C314—H314	118.1
N306—Zn32—N307	100.9 (5)	C315—C314—H314	118.1
C361—N322—C362	114.5 (6)	C12A—C11A—H11A	119.6
C360—N320—C362	115.1 (7)	C10A—C11A—C12A	120.8 (15)
C342—N315—C343	113.6 (8)	C10A—C11A—H11A	119.6
C301—N301—Zn41	123.2 (7)	C11A—C10A—H10A	119.8
C301—N301—C305	119.6 (8)	C11A—C10A—C9A	120.3 (15)
C301—N301—Zn31	121.0 (7)	C9A—C10A—H10A	119.8
C301—N301—Zn51	147.0 (11)	C8A—C9A—H9A	119.8
C305—N301—Zn41	116.9 (7)	C10A—C9A—C8A	120.4 (15)
C305—N301—Zn31	119.2 (7)	C10A—C9A—H9A	119.8
C305—N301—Zn51	93.5 (10)	O2A—C14A—H14A	109.5
C306—N303—C307	113.6 (8)	O2A—C14A—H14B	109.5
C361—N321—C360	114.1 (6)	O2A—C14A—H14C	109.5
C342—N314—C344	114.1 (8)	H14A—C14A—H14B	109.5
C343—N316—C344	116.0 (8)	H14A—C14A—H14C	109.5
C326—N310—C325	114.1 (8)	H14B—C14A—H14C	109.5
C306—N302—C308	115.3 (7)	C309—C313—H313	120.9
C355—N319—Zn35	122.0 (6)	C312—C313—C309	118 (2)
C355—N319—C359	118.5 (8)	C312—C313—H313	120.9
C355—N319—Zn45	121.9 (7)	O1A—C13A—C5A	114.4 (11)
C359—N319—Zn35	119.5 (6)	O1A—C13A—H13A	108.7
C359—N319—Zn45	119.5 (7)	O1A—C13A—H13B	108.7
C325—N309—C324	114.3 (7)	C5A—C13A—H13A	108.7
Zn33^iv—N317—Zn43^iv	6.0 (4)	C5A—C13A—H13B	108.7
C348—N317—Zn33^iv	118.4 (7)	H13A—C13A—H13B	107.6
C348—N317—Zn43^iv	124.4 (8)	N305—C312—C313	123 (2)
C347—N317—Zn33^iv	122.8 (8)	N305—C312—H312	118.5
C347—N317—C348	118.6 (9)	C313—C312—H312	118.5
C347—N317—Zn43^iv	116.8 (8)	O3A—C15A—H15A	109.5
C324—N308—C326	114.5 (7)	O3A—C15A—H15B	109.5
C319—N307—Zn32	126.1 (7)	O3A—C15A—H15C	109.5
C319—N307—C323	119.4 (9)	H15A—C15A—H15B	109.5
C319—N307—Zn42	120.3 (8)	H15A—C15A—H15C	109.5
C319—N307—Zn52	107.0 (12)	H15B—C15A—H15C	109.5
C319—N307—Zn62	86 (3)	N317^iii—Zn43—I406	107.7 (5)
C323—N307—Zn32	114.5 (8)	N317^iii—Zn43—I405	110.6 (6)
C323—N307—Zn42	120.3 (9)	N311—Zn43—N317^iii	102.3 (6)
C323—N307—Zn52	133.0 (13)	N311—Zn43—I406	100.4 (6)
C323—N307—Zn62	154 (3)	N311—Zn43—I405	108.0 (6)
Zn41^v—N323—Zn51^v	23.7 (12)	I405—Zn43—I406	125.2 (5)
C366—N323—Zn41^v	121.3 (6)	N301—Zn31—I302	108.8 (4)
C366—N323—C365	118.5 (7)	N301—Zn31—I301	108.3 (4)
C366—N323—Zn31^v	120.7 (6)	N323^i—Zn31—N301	98.5 (4)
C366—N323—Zn51^v	104.9 (17)	N323^i—Zn31—I302	107.9 (4)
C365—N323—Zn41^v	120.2 (6)	N323^i—Zn31—I301	106.8 (4)
C365—N323—Zn31^v	120.6 (6)	I301—Zn31—I302	123.7 (3)
C365—N323—Zn51^v	134.1 (18)	N313—Zn44—N312	101.0 (6)
Zn31^v—N323—Zn51^v	25.8 (10)	N313—Zn44—I408	111.1 (7)
C337—N313—Zn34	120.6 (9)	N313—Zn44—I407	99.1 (6)
C337—N313—C341	118.1 (10)	N312—Zn44—I408	111.1 (6)
C337—N313—Zn44	133.5 (10)	N312—Zn44—I407	101.0 (6)
C341—N313—Zn34	120.4 (8)	I407—Zn44—I408	129.7 (5)
C341—N313—Zn44	107.2 (9)	N305^ii—Zn36—N324	103.6 (7)
C311—N305—Zn46^vi	124.6 (9)	N305^ii—Zn36—I312	109.1 (6)
C311—N305—C312	103.1 (18)	N305^ii—Zn36—I311	105.9 (5)
C311—N305—Zn36^vi	121.7 (9)	N324—Zn36—I312	107.3 (5)
C311—N305—Zn56^vi	119.2 (11)	N324—Zn36—I311	104.2 (6)
C311—N305—C412	118.0 (9)	I312—Zn36—I311	124.9 (6)
C312—N305—Zn46^vi	119.1 (13)	N307—Zn42—N306	103.3 (6)
C312—N305—Zn36^vi	121.1 (12)	N307—Zn42—I404	103.2 (6)
C312—N305—Zn56^vi	121.9 (13)	N307—Zn42—I403	112.3 (7)
Zn36^vi—N305—Zn46^vi	2.9 (5)	N306—Zn42—I404	105.7 (7)
Zn36^vi—N305—Zn56^vi	2.7 (10)	N306—Zn42—I403	107.1 (6)
C307—N304—C308	116.8 (8)	I403—Zn42—I404	123.3 (5)
C372—N324—Zn46	120.4 (8)	N319—Zn45—N318	102.6 (5)
C372—N324—C368	118.4 (8)	N319—Zn45—I410	105.7 (5)
C372—N324—Zn36	123.2 (7)	N319—Zn45—I409	109.0 (5)
C372—N324—Zn56	123.1 (8)	N318—Zn45—I410	112.7 (6)
C368—N324—Zn46	121.1 (8)	N318—Zn45—I409	105.5 (6)
C368—N324—Zn36	118.3 (7)	I409—Zn45—I410	120.0 (5)
C368—N324—Zn56	118.1 (9)	N305^ii—Zn56—N324	98.7 (10)
C354—N318—Zn35	119.6 (8)	N305^ii—Zn56—I512	104.9 (10)
C354—N318—C350	117.8 (10)	N305^ii—Zn56—I511	113.5 (11)
C354—N318—Zn45	118.5 (9)	N324—Zn56—I512	109.3 (11)
C350—N318—Zn35	122.6 (8)	N324—Zn56—I511	106.1 (9)
C350—N318—Zn45	123.7 (8)	I511—Zn56—I512	121.8 (11)
C302—C303—C306	121.6 (7)	N307—Zn52—I503	114.7 (16)
C302—C303—C304	118.0 (8)	N307—Zn52—I504	97.3 (13)
C304—C303—C306	120.3 (9)	N306—Zn52—N307	103.2 (14)
C336—N312—Zn34	124.2 (6)	N306—Zn52—I503	120.7 (14)
C336—N312—Zn44	120.3 (7)	N306—Zn52—I504	96.3 (16)
C332—N312—Zn34	118.6 (7)	I504—Zn52—I503	120.5 (12)
C332—N312—C336	116.4 (9)	N301—Zn51—N323^i	86.0 (18)
C332—N312—Zn44	123.2 (8)	N301—Zn51—I501	95.6 (19)
C330—N311—Zn33	121.4 (7)	N301—Zn51—I502	125 (3)
C330—N311—Zn43	125.6 (8)	N323^i—Zn51—I501	88 (2)
C329—N311—Zn33	122.1 (7)	N323^i—Zn51—I502	120 (3)
C329—N311—C330	116.5 (9)	I501—Zn51—I502	129 (2)
C329—N311—Zn43	117.5 (8)	N307—Zn62—N306	85 (3)
N315—C342—C339	116.2 (9)	N307—Zn62—I604	90 (3)
N314—C342—N315	126.4 (8)	N307—Zn62—I603	128 (6)
N314—C342—C339	117.4 (8)	N306—Zn62—I604	84 (4)
N322—C362—C370	117.0 (7)	N306—Zn62—I603	121 (6)
N320—C362—N322	124.7 (7)	I604—Zn62—I603	133 (5)
N320—C362—C370	118.3 (7)	C3B—C4B—C5B	120.0
N303—C306—C303	115.6 (8)	C3B—C4B—C7B	119.9 (8)
N302—C306—N303	126.2 (8)	C5B—C4B—C7B	119.8 (8)
N302—C306—C303	118.3 (7)	C4B—C3B—H3B	120.0
C349—C345—C343	119.8 (9)	C2B—C3B—C4B	120.0
C346—C345—C343	121.6 (8)	C2B—C3B—H3B	120.0
C346—C345—C349	118.5 (9)	C3B—C2B—H2B	120.0
C356—C357—C360	121.8 (7)	C1B—C2B—C3B	120.0
C358—C357—C360	120.6 (8)	C1B—C2B—H2B	120.0
C358—C357—C356	117.6 (8)	C2B—C1B—H1B	120.0
C338—C339—C342	121.8 (9)	C2B—C1B—C6B	120.0
C340—C339—C342	119.7 (10)	C6B—C1B—H1B	120.0
C340—C339—C338	118.5 (9)	C1B—C6B—H6B	120.0
N322—C361—C363	115.8 (6)	C5B—C6B—C1B	120.0
N321—C361—N322	126.0 (7)	C5B—C6B—H6B	120.0
N321—C361—C363	118.2 (6)	C4B—C5B—C13B	112.8 (17)
C303—C302—H302	119.8	C6B—C5B—C4B	120.0
C303—C302—C301	120.3 (8)	C6B—C5B—C13B	127.2 (17)
C301—C302—H302	119.8	C12B—O3B—C15B	117 (3)
C367—C363—C361	121.1 (7)	C8B—O2B—C14B	116 (3)
C364—C363—C361	120.0 (7)	C12B—C7B—C4B	120.3 (8)
C364—C363—C367	118.9 (8)	C12B—C7B—C8B	120.0
N315—C343—C345	116.8 (8)	C8B—C7B—C4B	119.7 (8)
N316—C343—N315	124.4 (8)	O3B—C12B—C7B	118 (3)
N316—C343—C345	118.8 (7)	O3B—C12B—C11B	122 (3)
C369—C370—C362	120.9 (8)	C7B—C12B—C11B	120.0
C371—C370—C362	121.2 (7)	C12B—C11B—H11B	120.0
C371—C370—C369	117.8 (8)	C10B—C11B—C12B	120.0
N303—C307—C309	116.5 (8)	C10B—C11B—H11B	120.0
N304—C307—N303	124.1 (8)	C11B—C10B—H10B	120.0
N304—C307—C309	119.4 (8)	C9B—C10B—C11B	120.0
N320—C360—N321	125.2 (7)	C9B—C10B—H10B	120.0
N320—C360—C357	117.3 (7)	C10B—C9B—H9B	120.0
N321—C360—C357	117.5 (7)	C8B—C9B—C10B	120.0
N310—C326—N308	125.6 (8)	C8B—C9B—H9B	120.0
N310—C326—C334	118.4 (8)	O2B—C8B—C7B	111 (2)
N308—C326—C334	116.0 (8)	O2B—C8B—C9B	129 (2)
N310—C325—C327	115.8 (8)	C9B—C8B—C7B	120.0
N309—C325—N310	126.3 (8)	O2B—C14B—H14D	109.5
N309—C325—C327	117.9 (8)	O2B—C14B—H14E	109.5
C310—C309—C307	123.2 (9)	O2B—C14B—H14F	109.5
C310—C309—C313	100.9 (16)	H14D—C14B—H14E	109.5
C310—C309—C413	116.7 (9)	H14D—C14B—H14F	109.5
C313—C309—C307	121.6 (12)	H14E—C14B—H14F	109.5
C413—C309—C307	119.5 (10)	H81A—C819—H81B	107.6
N317—C348—H348	118.5	C824—C819—H81A	108.6
N317—C348—C349	123.0 (10)	C824—C819—H81B	108.6
C349—C348—H348	118.5	C820—C819—H81A	108.6
N319—C355—H355	118.5	C820—C819—H81B	108.6
N319—C355—C356	122.9 (8)	C820—C819—C824	115 (2)
C356—C355—H355	118.5	C819—C824—H82A	109.2
C318—N306—Zn32	116.6 (9)	C819—C824—H82B	109.2
C318—N306—C314	117.2 (11)	C819—C824—C823	112.2 (18)
C318—N306—Zn42	121.1 (10)	H82A—C824—H82B	107.9
C318—N306—Zn52	133.3 (13)	C823—C824—H82A	109.2
C318—N306—Zn62	142 (3)	C823—C824—H82B	109.2
C314—N306—Zn32	126.1 (9)	C824—C823—H82C	109.3
C314—N306—Zn42	121.6 (9)	C824—C823—H82D	109.3
C314—N306—Zn52	108.3 (13)	C824—C823—C822	111.4 (19)
C314—N306—Zn62	94 (3)	H82C—C823—H82D	108.0
C8A—O2A—C14A	118.4 (14)	C822—C823—H82C	109.3
C12A—O3A—C15A	116.0 (12)	C822—C823—H82D	109.3
C357—C356—C355	118.7 (8)	C823—C822—H82E	109.7
C357—C356—H356	120.6	C823—C822—H82F	109.7
C355—C356—H356	120.6	H82E—C822—H82F	108.2
C339—C338—H338	120.7	C821—C822—C823	110.0 (19)
C339—C338—C337	118.7 (10)	C821—C822—H82E	109.7
C337—C338—H338	120.7	C821—C822—H82F	109.7
N301—C301—C302	121.0 (9)	C822—C821—H82G	109.3
N301—C301—H301	119.5	C822—C821—H82H	109.3
C302—C301—H301	119.5	H82G—C821—H82H	108.0
C335—C334—C326	121.5 (8)	C820—C821—C822	111.5 (19)
C335—C334—C333	119.9 (9)	C820—C821—H82G	109.3
C333—C334—C326	118.6 (8)	C820—C821—H82H	109.3
N324—C372—H372	118.7	C819—C820—C821	113.7 (19)
N324—C372—C371	122.5 (9)	C819—C820—H82I	108.8
C371—C372—H372	118.7	C819—C820—H82J	108.8
C353—C352—C344	121.2 (9)	C821—C820—H82I	108.8
C353—C352—C351	117.0 (10)	C821—C820—H82J	108.8
C351—C352—C344	121.8 (9)	H82I—C820—H82J	107.7
C345—C349—C348	118.5 (10)	H81C—C811—H81D	108.4
C345—C349—H349	120.8	C812—C811—H81C	110.1
C348—C349—H349	120.8	C812—C811—H81D	110.1
C363—C367—H367	120.3	C810—C811—H81C	110.1
C366—C367—C363	119.4 (8)	C810—C811—H81D	110.1
C366—C367—H367	120.3	C810—C811—C812	108.2 (19)
N314—C344—C352	117.6 (8)	C811—C812—H81E	109.8
N316—C344—N314	125.4 (9)	C811—C812—H81F	109.8
N316—C344—C352	117.0 (8)	H81E—C812—H81F	108.2
N309—C324—C321	119.7 (8)	C807—C812—C811	109.4 (17)
N308—C324—N309	124.8 (8)	C807—C812—H81E	109.8
N308—C324—C321	115.5 (8)	C807—C812—H81F	109.8
C363—C364—H364	120.4	C812—C807—H80A	109.8
C363—C364—C365	119.1 (8)	C812—C807—H80B	109.8
C365—C364—H364	120.4	C812—C807—C808	109.6 (17)
N323—C366—C367	122.9 (8)	H80A—C807—H80B	108.2
N323—C366—H366	118.6	C808—C807—H80A	109.8
C367—C366—H366	118.6	C808—C807—H80B	109.8
N319—C359—H359	119.0	C807—C808—H80C	109.6
N319—C359—C358	122.1 (9)	C807—C808—H80D	109.6
C358—C359—H359	119.0	H80C—C808—H80D	108.1
C334—C335—H335	120.7	C809—C808—C807	110.4 (17)
C334—C335—C336	118.6 (9)	C809—C808—H80C	109.6
C336—C335—H335	120.7	C809—C808—H80D	109.6
N323—C365—C364	121.2 (8)	C808—C809—H80E	109.1
N323—C365—H365	119.4	C808—C809—H80F	109.1
C364—C365—H365	119.4	H80E—C809—H80F	107.9
C331—C327—C325	121.6 (8)	C810—C809—C808	112.4 (17)
C331—C327—C328	118.9 (9)	C810—C809—H80E	109.1
C328—C327—C325	119.4 (9)	C810—C809—H80F	109.1
C322—C321—C324	121.7 (8)	C811—C810—H81G	109.5
C322—C321—C320	115.7 (9)	C811—C810—H81H	109.5
C320—C321—C324	122.6 (9)	C809—C810—C811	110.8 (17)
C370—C369—H369	120.5	C809—C810—H81G	109.5
C368—C369—C370	119.0 (9)	C809—C810—H81H	109.5
C368—C369—H369	120.5	H81G—C810—H81H	108.1
C357—C358—H358	120.0	H81I—C816—H81J	108.2
C359—C358—C357	120.1 (9)	C815—C816—H81I	109.7
C359—C358—H358	120.0	C815—C816—H81J	109.7
C303—C304—H304	120.3	C815—C816—C817	110 (2)
C305—C304—C303	119.4 (11)	C817—C816—H81I	109.7
C305—C304—H304	120.3	C817—C816—H81J	109.7
N302—C308—C316	118.2 (8)	C816—C815—H81K	109.3
N304—C308—N302	123.9 (9)	C816—C815—H81L	109.3
N304—C308—C316	117.9 (9)	C816—C815—C814	111.7 (19)
C315—C316—C308	122.7 (10)	H81K—C815—H81L	107.9
C315—C316—C317	117.6 (11)	C814—C815—H81K	109.3
C317—C316—C308	119.8 (9)	C814—C815—H81L	109.3
C309—C310—H310	119.3	C815—C814—H81M	109.5
C309—C310—C311	121.3 (10)	C815—C814—H81N	109.5
C311—C310—H310	119.3	C815—C814—C813	110.8 (19)
C370—C371—C372	119.4 (8)	H81M—C814—H81N	108.1
C370—C371—H371	120.3	C813—C814—H81M	109.5
C372—C371—H371	120.3	C813—C814—H81N	109.5
C327—C331—H331	119.4	C814—C813—H81O	109.7
C330—C331—C327	121.2 (9)	C814—C813—H81P	109.7
C330—C331—H331	119.4	C814—C813—C818	109.8 (18)
N313—C337—C338	123.3 (11)	H81O—C813—H81P	108.2
N313—C337—H337	118.4	C818—C813—H81O	109.7
C338—C337—H337	118.4	C818—C813—H81P	109.7
N312—C336—C335	123.1 (9)	C813—C818—H81Q	109.4
N312—C336—H336	118.5	C813—C818—H81R	109.4
C335—C336—H336	118.5	H81Q—C818—H81R	108.0
C327—C328—H328	121.5	C817—C818—C813	111.1 (19)
C327—C328—C329	117.0 (9)	C817—C818—H81Q	109.4
C329—C328—H328	121.5	C817—C818—H81R	109.4
C345—C346—H346	120.3	C816—C817—H81S	109.6
C345—C346—C347	119.3 (10)	C816—C817—H81T	109.6
C347—C346—H346	120.3	C818—C817—C816	110.4 (19)
N307—C319—H319	119.0	C818—C817—H81S	109.6
N307—C319—C320	122.0 (10)	C818—C817—H81T	109.6
C320—C319—H319	119.0	H81S—C817—H81T	108.1
N311—C330—H330	119.0	C13B—O1B—H1BA	109.5
C331—C330—N311	122.0 (10)	C5B—C13B—H13C	109.2
C331—C330—H330	119.0	C5B—C13B—H13D	109.2
N317—C347—C346	121.7 (11)	O1B—C13B—C5B	112.0 (19)
N317—C347—H347	119.2	O1B—C13B—H13C	109.2
C346—C347—H347	119.2	O1B—C13B—H13D	109.2
N307—C323—H323	119.0	H13C—C13B—H13D	107.9
N307—C323—C322	121.9 (11)	O3B—C15B—H15D	109.5
C322—C323—H323	119.0	O3B—C15B—H15E	109.5
C13A—O1A—H1A	109.5	O3B—C15B—H15F	109.5
C321—C322—H322	119.3	H15D—C15B—H15E	109.5
C323—C322—C321	121.4 (10)	H15D—C15B—H15F	109.5
C323—C322—H322	119.3	H15E—C15B—H15F	109.5
C352—C353—H353	121.0	H80G—C804—H80H	107.9
C352—C353—C354	117.9 (10)	C805—C804—H80G	109.2
C354—C353—H353	121.0	C805—C804—H80H	109.2
N311—C329—C328	124.2 (9)	C805—C804—C803	112 (2)
N311—C329—H329	117.9	C803—C804—H80G	109.2
C328—C329—H329	117.9	C803—C804—H80H	109.2
N324—C368—C369	122.7 (10)	C804—C805—H80I	109.6
N324—C368—H368	118.6	C804—C805—H80J	109.6
C369—C368—H368	118.6	H80I—C805—H80J	108.1
C321—C320—C319	119.5 (10)	C806—C805—C804	110.3 (17)
C321—C320—H320	120.2	C806—C805—H80I	109.6
C319—C320—H320	120.2	C806—C805—H80J	109.6
N318—C354—C353	124.0 (11)	C805—C806—H80K	109.6
N318—C354—H354	118.0	C805—C806—H80L	109.6
C353—C354—H354	118.0	C805—C806—C801	110.3 (16)
N305—C311—C310	121.7 (12)	H80K—C806—H80L	108.1
N305—C311—H311	119.2	C801—C806—H80K	109.6
C310—C311—H311	119.2	C801—C806—H80L	109.6
C334—C333—H333	122.2	C806—C801—H80M	109.5
C334—C333—C332	115.6 (10)	C806—C801—H80N	109.5
C332—C333—H333	122.2	H80M—C801—H80N	108.1
C316—C315—H315	120.2	C802—C801—C806	110.6 (17)
C314—C315—C316	119.7 (12)	C802—C801—H80M	109.5
C314—C315—H315	120.2	C802—C801—H80N	109.5
N301—C305—C304	121.5 (10)	C801—C802—H80O	109.6
N301—C305—H305	119.3	C801—C802—H80P	109.6
C304—C305—H305	119.3	C801—C802—C803	110.1 (17)
C8A—C7A—C4A	119.6 (10)	H80O—C802—H80P	108.2
C12A—C7A—C8A	120.1 (11)	C803—C802—H80O	109.6
C12A—C7A—C4A	120.3 (9)	C803—C802—H80P	109.6
N318—C350—H350	118.5	C804—C803—C802	110.8 (16)
N318—C350—C351	123.0 (11)	C804—C803—H80Q	109.5
C351—C350—H350	118.5	C804—C803—H80R	109.5
N312—C332—C333	126.5 (10)	C802—C803—H80Q	109.5
N312—C332—H332	116.8	C802—C803—H80R	109.5
C333—C332—H332	116.8	H80Q—C803—H80R	108.1
C339—C340—H340	121.1	C309—C413—H413	121.0
C339—C340—C341	117.8 (13)	C412—C413—C309	118.0 (13)
C341—C340—H340	121.1	C412—C413—H413	121.0
N313—C341—C340	123.0 (12)	N305—C412—C413	123.0 (12)
N313—C341—H341	118.5	N305—C412—H412	118.5
C340—C341—H341	118.5	C413—C412—H412	118.5
Zn41—N301—C301—C302	−170.8 (7)	C308—N302—C306—C303	−176.4 (8)
Zn41—N301—C305—C304	171.6 (11)	C308—N304—C307—N303	0.8 (14)
Zn41^v—N323—C366—C367	177.0 (10)	C308—N304—C307—C309	178.7 (9)
Zn41^v—N323—C365—C364	−178.2 (9)	C308—C316—C315—C314	177.8 (14)
Zn46^vi—N305—C311—C310	−178.1 (10)	C308—C316—C317—C318	−178.5 (14)
Zn46^vi—N305—C412—C413	−178.6 (16)	C316—C315—C314—N306	4 (3)
Zn46—N324—C372—C371	−175.2 (9)	C310—C309—C313—C312	42 (4)
Zn46—N324—C368—C369	177.4 (12)	C310—C309—C413—C412	−5 (2)
Zn33^iv—N317—C348—C349	−171.6 (8)	C371—C370—C369—C368	0.9 (18)
Zn33^iv—N317—C347—C346	172.8 (9)	C331—C327—C328—C329	−4 (2)
Zn33—N311—C330—C331	172.8 (10)	C337—N313—C341—C340	−6 (2)
Zn33—N311—C329—C328	−175.8 (11)	C336—N312—C332—C333	−2 (3)
Zn35—N319—C355—C356	−179.1 (8)	C328—C327—C331—C330	1 (2)
Zn35—N319—C359—C358	−179.8 (9)	C346—C345—C343—N315	−1.5 (12)
Zn35—N318—C354—C353	176.4 (12)	C346—C345—C343—N316	176.1 (9)
Zn35—N318—C350—C351	−176.3 (11)	C346—C345—C349—C348	−6.0 (14)
Zn34—N313—C337—C338	171.7 (7)	C319—N307—C323—C322	−1 (2)
Zn34—N313—C341—C340	−175.6 (12)	C330—N311—C329—C328	2 (2)
Zn34—N312—C336—C335	−169.3 (10)	C347—N317—C348—C349	3.2 (15)
Zn34—N312—C332—C333	168.4 (16)	C323—N307—C319—C320	3.0 (18)
Zn32—N307—C319—C320	−176.6 (9)	C322—C321—C320—C319	0.6 (17)
Zn32—N307—C323—C322	178.6 (11)	C353—C352—C344—N314	159.1 (10)
Zn32—N306—C318—C317	−171.6 (15)	C353—C352—C344—N316	−20.4 (13)
Zn32—N306—C314—C315	170.7 (13)	C353—C352—C351—C350	0.7 (19)
N322—C362—C370—C369	175.0 (10)	C329—N311—C330—C331	−4.9 (19)
N322—C362—C370—C371	−7.2 (13)	C368—N324—C372—C371	3.0 (17)
N322—C361—C363—C367	0.7 (13)	C320—C321—C322—C323	1.3 (19)
N322—C361—C363—C364	178.9 (9)	C354—N318—C350—C351	3 (2)
N320—C362—C370—C369	−4.8 (14)	C311—N305—C312—C313	−41 (5)
N320—C362—C370—C371	173.0 (9)	C311—N305—C412—C413	13 (3)
N315—C342—C339—C338	2.6 (12)	C333—C334—C335—C336	−1.5 (19)
N315—C342—C339—C340	−178.2 (10)	C315—C316—C317—C318	1 (2)
N303—C307—C309—C310	−19.8 (14)	C305—N301—C301—C302	2.5 (14)
N303—C307—C309—C313	−152 (2)	C7A—C8A—C9A—C10A	−1 (2)
N303—C307—C309—C413	150.6 (12)	C7A—C12A—C11A—C10A	−2 (2)
N321—C361—C363—C367	−177.7 (9)	C7A—C4A—C3A—C2A	−177.5 (9)
N321—C361—C363—C364	0.5 (13)	C350—N318—C354—C353	−3 (2)
N314—C342—C339—C338	−175.0 (8)	C332—N312—C336—C335	1 (2)
N314—C342—C339—C340	4.2 (13)	C340—C339—C338—C337	4.9 (14)
N310—C326—C334—C335	0.8 (16)	C341—N313—C337—C338	2.4 (17)
N310—C326—C334—C333	−176.8 (12)	C351—C352—C344—N314	−21.0 (13)
N310—C325—C327—C331	2.2 (17)	C351—C352—C344—N316	159.5 (10)
N310—C325—C327—C328	−177.5 (11)	C351—C352—C353—C354	−0.6 (18)
N302—C308—C316—C315	15.7 (17)	C318—N306—C314—C315	−7 (3)
N302—C308—C316—C317	−165.2 (12)	C8A—C7A—C12A—O3A	179.6 (12)
N319—C355—C356—C357	−1.0 (16)	C8A—C7A—C12A—C11A	1 (2)
N319—C359—C358—C357	−1.2 (19)	C8A—C7A—C4A—C5A	109.9 (11)
N309—C325—C327—C331	−179.0 (11)	C8A—C7A—C4A—C3A	−72.6 (13)
N309—C325—C327—C328	1.4 (17)	C12A—C7A—C8A—O2A	179.8 (12)
N309—C324—C321—C322	−173.0 (11)	C12A—C7A—C8A—C9A	0 (2)
N309—C324—C321—C320	8.2 (16)	C12A—C7A—C4A—C5A	−72.7 (13)
N317—C348—C349—C345	0.7 (15)	C12A—C7A—C4A—C3A	104.8 (12)
N308—C326—C334—C335	−179.8 (10)	C12A—C11A—C10A—C9A	1 (2)
N308—C326—C334—C333	2.6 (17)	C317—C316—C315—C314	−1 (2)
N308—C324—C321—C322	8.2 (15)	C2A—C1A—C6A—C5A	0.0
N308—C324—C321—C320	−170.6 (10)	C1A—C2A—C3A—C4A	0.0
N307—C319—C320—C321	−2.8 (19)	C1A—C6A—C5A—C4A	0.0
N307—C323—C322—C321	−1 (2)	C1A—C6A—C5A—C13A	175.7 (12)
N304—C307—C309—C310	162.1 (11)	C6A—C5A—C4A—C7A	177.5 (9)
N304—C307—C309—C313	30 (3)	C6A—C5A—C4A—C3A	0.0
N304—C307—C309—C413	−27.4 (16)	C6A—C5A—C13A—O1A	25.6 (19)
N304—C308—C316—C315	−163.6 (12)	C5A—C4A—C3A—C2A	0.0
N304—C308—C316—C317	15.5 (17)	C4A—C7A—C8A—O2A	−2.7 (18)
N324—C372—C371—C370	−3.2 (16)	C4A—C7A—C8A—C9A	178.0 (12)
N318—C350—C351—C352	−2 (2)	C4A—C7A—C12A—O3A	2.2 (18)
C303—C302—C301—N301	0.4 (13)	C4A—C7A—C12A—C11A	−176.4 (11)
C303—C304—C305—N301	−1 (2)	C4A—C5A—C13A—O1A	−158.7 (11)
C342—N315—C343—N316	−1.0 (11)	C3A—C2A—C1A—C6A	0.0
C342—N315—C343—C345	176.5 (7)	C314—N306—C318—C317	6 (3)
C342—N314—C344—N316	−1.2 (12)	C11A—C10A—C9A—C8A	1 (2)
C342—N314—C344—C352	179.3 (7)	C14A—O2A—C8A—C7A	−172.2 (12)
C342—C339—C338—C337	−176.0 (8)	C14A—O2A—C8A—C9A	7 (2)
C342—C339—C340—C341	172.5 (12)	C313—C309—C310—C311	−43 (2)
C362—N322—C361—N321	−1.1 (13)	C13A—C5A—C4A—C7A	1.7 (12)
C362—N322—C361—C363	−179.3 (7)	C13A—C5A—C4A—C3A	−175.8 (12)
C362—N320—C360—N321	−7.1 (13)	C312—N305—C311—C310	42 (2)
C362—N320—C360—C357	172.8 (8)	C15A—O3A—C12A—C7A	−179.0 (17)
C362—C370—C369—C368	178.8 (11)	C15A—O3A—C12A—C11A	−1 (2)
C362—C370—C371—C372	−176.7 (9)	Zn43^iv—N317—C348—C349	−171.0 (8)
C306—N303—C307—N304	2.4 (13)	Zn43^iv—N317—C347—C346	172.8 (10)
C306—N303—C307—C309	−175.6 (8)	Zn43—N311—C330—C331	167.5 (11)
C306—N302—C308—N304	0.9 (14)	Zn43—N311—C329—C328	−171.2 (12)
C306—N302—C308—C316	−178.4 (9)	Zn31—N301—C301—C302	−172.6 (7)
C306—C303—C302—C301	175.6 (8)	Zn31—N301—C305—C304	173.1 (10)
C306—C303—C304—C305	−175.3 (11)	Zn31^v—N323—C366—C367	173.5 (10)
C345—C346—C347—N317	−3.5 (19)	Zn31^v—N323—C365—C364	−174.7 (9)
C339—C338—C337—N313	−1.7 (15)	Zn44—N313—C337—C338	168.0 (9)
C339—C340—C341—N313	9 (2)	Zn44—N313—C341—C340	−175.4 (14)
C361—N322—C362—N320	2.3 (12)	Zn44—N312—C336—C335	175.9 (11)
C361—N322—C362—C370	−177.5 (8)	Zn44—N312—C332—C333	−177.3 (16)
C361—N321—C360—N320	8.0 (13)	Zn36^vi—N305—C311—C310	−178.2 (10)
C361—N321—C360—C357	−171.8 (8)	Zn36^vi—N305—C312—C313	179 (4)
C361—C363—C367—C366	178.4 (10)	Zn36—N324—C372—C371	−174.3 (9)
C361—C363—C364—C365	−179.6 (10)	Zn36—N324—C368—C369	176.6 (12)
C302—C303—C306—N303	−10.5 (12)	Zn42—N307—C319—C320	−178.3 (10)
C302—C303—C306—N302	168.7 (8)	Zn42—N307—C323—C322	−179.7 (11)
C302—C303—C304—C305	3.9 (16)	Zn42—N306—C318—C317	−176.2 (15)
C363—C367—C366—N323	0.5 (19)	Zn42—N306—C314—C315	175.5 (14)
C363—C364—C365—N323	1.9 (18)	Zn45—N319—C355—C356	−178.7 (9)
C343—N315—C342—N314	2.2 (11)	Zn45—N319—C359—C358	179.7 (10)
C343—N315—C342—C339	−175.1 (7)	Zn45—N318—C354—C353	177.8 (12)
C343—N316—C344—N314	2.2 (12)	Zn45—N318—C350—C351	−177.8 (11)
C343—N316—C344—C352	−178.3 (7)	Zn56^vi—N305—C311—C310	−179.6 (11)
C343—C345—C349—C348	178.1 (8)	Zn56—N324—C372—C371	−170.0 (11)
C343—C345—C346—C347	−176.9 (10)	Zn56—N324—C368—C369	172.6 (13)
C370—C369—C368—N324	−1 (2)	Zn52—N307—C319—C320	175.4 (13)
C307—N303—C306—N302	−4.3 (12)	Zn52—N307—C323—C322	−171.0 (14)
C307—N303—C306—C303	174.9 (7)	Zn52—N306—C318—C317	172.2 (19)
C307—N304—C308—N302	−2.5 (15)	Zn52—N306—C314—C315	−176.2 (17)
C307—N304—C308—C316	176.8 (9)	Zn51—N301—C301—C302	−179 (4)
C307—C309—C310—C311	177.5 (11)	Zn51—N301—C305—C304	179 (2)
C307—C309—C313—C312	−177 (3)	Zn51^v—N323—C366—C367	−164.3 (14)
C307—C309—C413—C412	−175.7 (15)	Zn51^v—N323—C365—C364	157.4 (14)
C360—N320—C362—N322	1.5 (13)	Zn62—N307—C319—C320	178 (4)
C360—N320—C362—C370	−178.8 (8)	Zn62—N307—C323—C322	−169 (7)
C360—N321—C361—N322	−3.7 (12)	Zn62—N306—C318—C317	149 (3)
C360—N321—C361—C363	174.5 (8)	Zn62—N306—C314—C315	−165 (3)
C360—C357—C356—C355	176.9 (9)	C4B—C3B—C2B—C1B	0.0
C360—C357—C358—C359	−175.8 (10)	C4B—C5B—C13B—O1B	173 (4)
C326—N310—C325—N309	−4.0 (16)	C4B—C7B—C12B—O3B	−3 (3)
C326—N310—C325—C327	174.8 (9)	C4B—C7B—C12B—C11B	179 (2)
C326—N308—C324—N309	−7.1 (15)	C4B—C7B—C8B—O2B	−2 (3)
C326—N308—C324—C321	171.6 (9)	C4B—C7B—C8B—C9B	−179 (2)
C326—C334—C335—C336	−179.0 (11)	C3B—C4B—C5B—C6B	0.0
C326—C334—C333—C332	177.9 (14)	C3B—C4B—C5B—C13B	178 (2)
C325—N310—C326—N308	0.4 (15)	C3B—C4B—C7B—C12B	89 (2)
C325—N310—C326—C334	179.8 (9)	C3B—C4B—C7B—C8B	−92 (2)
C325—N309—C324—N308	4.1 (15)	C3B—C2B—C1B—C6B	0.0
C325—N309—C324—C321	−174.5 (9)	C2B—C1B—C6B—C5B	0.0
C325—C327—C331—C330	−179.0 (11)	C1B—C6B—C5B—C4B	0.0
C325—C327—C328—C329	176.2 (12)	C1B—C6B—C5B—C13B	−177 (3)
C309—C310—C311—N305	1 (2)	C6B—C5B—C13B—O1B	−10 (5)
C309—C313—C312—N305	−2 (7)	C5B—C4B—C3B—C2B	0.0
C309—C413—C412—N305	−5 (3)	C5B—C4B—C7B—C12B	−84 (2)
C348—N317—C347—C346	−1.9 (17)	C5B—C4B—C7B—C8B	95 (2)
C355—N319—C359—C358	−0.9 (18)	O3B—C12B—C11B—C10B	−178 (3)
N306—C318—C317—C316	−3 (3)	C7B—C4B—C3B—C2B	−173 (2)
O2A—C8A—C9A—C10A	179.2 (14)	C7B—C4B—C5B—C6B	173 (2)
O3A—C12A—C11A—C10A	179.9 (13)	C7B—C4B—C5B—C13B	−9 (3)
C356—C357—C360—N320	169.8 (9)	C7B—C12B—C11B—C10B	0.0
C356—C357—C360—N321	−10.3 (13)	C12B—C7B—C8B—O2B	177 (2)
C356—C357—C358—C359	2.1 (16)	C12B—C7B—C8B—C9B	0.0
C338—C339—C340—C341	−8.3 (19)	C12B—C11B—C10B—C9B	0.0
C301—N301—C305—C304	−2.1 (18)	C11B—C10B—C9B—C8B	0.0
C334—C335—C336—N312	1 (2)	C10B—C9B—C8B—O2B	−176 (3)
C334—C333—C332—N312	2 (3)	C10B—C9B—C8B—C7B	0.0
C372—N324—C368—C369	−1 (2)	C8B—C7B—C12B—O3B	178 (3)
C352—C353—C354—N318	2 (2)	C8B—C7B—C12B—C11B	0.0
C349—C345—C343—N315	174.2 (8)	C14B—O2B—C8B—C7B	−178 (5)
C349—C345—C343—N316	−8.1 (12)	C14B—O2B—C8B—C9B	−2 (6)
C349—C345—C346—C347	7.3 (16)	C819—C824—C823—C822	54 (5)
C367—C363—C364—C365	−1.3 (17)	C824—C819—C820—C821	46 (6)
C344—N314—C342—N315	−1.2 (12)	C824—C823—C822—C821	−59 (4)
C344—N314—C342—C339	176.1 (7)	C823—C822—C821—C820	57 (4)
C344—N316—C343—N315	−1.0 (11)	C822—C821—C820—C819	−51 (5)
C344—N316—C343—C345	−178.5 (7)	C820—C819—C824—C823	−47 (5)
C344—C352—C353—C354	179.3 (11)	C811—C812—C807—C808	62 (3)
C344—C352—C351—C350	−179.2 (11)	C812—C811—C810—C809	59 (4)
C324—N309—C325—N310	1.9 (16)	C812—C807—C808—C809	−57 (3)
C324—N309—C325—C327	−176.8 (9)	C807—C808—C809—C810	54 (4)
C324—N308—C326—N310	4.7 (15)	C808—C809—C810—C811	−55 (4)
C324—N308—C326—C334	−174.7 (9)	C810—C811—C812—C807	−63 (3)
C324—C321—C322—C323	−177.6 (12)	C816—C815—C814—C813	57 (4)
C324—C321—C320—C319	179.5 (10)	C815—C816—C817—C818	57 (4)
C364—C363—C367—C366	0.2 (17)	C815—C814—C813—C818	−56 (4)
C366—N323—C365—C364	−1.3 (18)	C814—C813—C818—C817	58 (4)
C359—N319—C355—C356	2.0 (16)	C813—C818—C817—C816	−58 (4)
C335—C334—C333—C332	0 (2)	C817—C816—C815—C814	−57 (5)
C365—N323—C366—C367	0.0 (18)	C15B—O3B—C12B—C7B	176 (5)
C327—C331—C330—N311	4 (2)	C15B—O3B—C12B—C11B	−7 (6)
C327—C328—C329—N311	2 (2)	C804—C805—C806—C801	57 (4)
C369—C370—C371—C372	1.2 (16)	C805—C804—C803—C802	55 (4)
C358—C357—C360—N320	−12.3 (14)	C805—C806—C801—C802	−59 (3)
C358—C357—C360—N321	167.5 (9)	C806—C801—C802—C803	58 (3)
C358—C357—C356—C355	−1.0 (15)	C801—C802—C803—C804	−56 (4)
C304—C303—C306—N303	168.6 (9)	C803—C804—C805—C806	−56 (4)
C304—C303—C306—N302	−12.1 (13)	C413—C309—C310—C311	6.8 (19)
C304—C303—C302—C301	−3.6 (14)	C412—N305—C311—C310	−10 (2)
C308—N302—C306—N303	2.8 (13)

Symmetry codes: (i) x+1, y, z; (ii) x−1/2, −y, z+1/2; (iii) x+1/2, −y+1, z+1/2; (iv) x−1/2, −y+1, z−1/2; (v) x−1, y, z; (vi) x+1/2, −y, z−1/2.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (50_10_24b)

Crystal data

C72H48I12N24Zn6·0.787(C15H16O3)·0.258(C6H12)	F(000) = 6315
Mr = 3378.30	Dx = 1.415 Mg m^−3
Monoclinic, P2/n	Cu Kα radiation, λ = 1.54184 Å
a = 31.4790 (8) Å	Cell parameters from 27841 reflections
b = 15.0233 (3) Å	θ = 2.9–68.4°
c = 34.2503 (6) Å	µ = 19.64 mm^−1
β = 101.732 (2)°	T = 100 K
V = 15859.2 (6) Å^3	Block, light yellow
Z = 4	0.35 × 0.12 × 0.06 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	28931 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	20059 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.059
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.1°
profile data from ω–scans	h = −37→37
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −17→18
Tmin = 0.032, Tmax = 0.366	l = −41→28
157903 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.115	H-atom parameters constrained
wR(F^2) = 0.377	w = 1/[σ^2(Fo^2) + (0.1938P)^2 + 161.8441P] where P = (Fo^2 + 2Fc^2)/3
S = 1.02	(Δ/σ)max = 0.005
28931 reflections	Δρmax = 1.33 e Å^−3
1576 parameters	Δρmin = −1.19 e Å^−3
669 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). Exchange site B was located over a two-fold symmetry axis and was modelled in PART -1. During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I405	0.4132 (3)	0.9934 (4)	0.6421 (3)	0.178 (5)	0.4685
I410	0.6237 (3)	−0.3982 (7)	0.2680 (3)	0.201 (5)	0.367 (3)
I409	0.5642 (4)	−0.4718 (6)	0.3726 (4)	0.238 (9)	0.367 (3)
I404	0.6425 (2)	0.1047 (7)	0.7754 (2)	0.0673 (16)	0.2168
I401	0.2192 (3)	0.5491 (4)	0.9052 (4)	0.267 (6)	0.4803
I402	0.3265 (4)	0.5416 (5)	1.0061 (3)	0.290 (7)	0.4803
I307	0.29757 (10)	0.0194 (2)	0.49127 (10)	0.0859 (7)	0.5352
I406	0.51602 (16)	0.8321 (6)	0.60366 (17)	0.108 (2)	0.4685
I403	0.5681 (2)	0.0028 (4)	0.86525 (17)	0.0639 (12)	0.2168
I308	0.19967 (9)	0.09679 (16)	0.38529 (9)	0.0909 (7)	0.5352
Zn45	0.5914 (4)	−0.3593 (6)	0.3276 (4)	0.187 (9)	0.367 (3)
Zn43	0.4466 (2)	0.8465 (4)	0.6299 (2)	0.086 (4)	0.4685
Zn42	0.6017 (6)	0.1277 (10)	0.8296 (5)	0.219 (19)	0.2168
Zn41	0.2935 (4)	0.6018 (7)	0.9385 (4)	0.219 (8)	0.4803
Zn34	0.27379 (16)	0.1128 (4)	0.42972 (17)	0.0729 (11)	0.5352
N320	0.7705 (3)	−0.1903 (6)	0.4608 (3)	0.062 (2)
N304	0.4828 (4)	0.5159 (7)	0.7784 (3)	0.073 (3)
N316	0.4636 (4)	0.0224 (7)	0.2703 (3)	0.073 (3)
N321	0.7505 (4)	−0.0593 (6)	0.4232 (3)	0.066 (3)
N322	0.8095 (4)	−0.0583 (7)	0.4783 (3)	0.075 (3)
N302	0.4272 (5)	0.5998 (8)	0.7982 (4)	0.080 (3)
N319	0.6390 (4)	−0.2846 (7)	0.3611 (4)	0.081 (4)
N310	0.2564 (4)	0.5736 (7)	0.4381 (4)	0.081 (3)
N318	0.5427 (4)	−0.2584 (8)	0.3126 (4)	0.082 (4)
N312	0.2816 (5)	0.2486 (9)	0.4444 (5)	0.091 (4)
N311	0.1496 (5)	0.8050 (8)	0.3746 (4)	0.093 (4)
N309	0.2776 (4)	0.6997 (7)	0.4783 (3)	0.080 (3)
N323	0.7900 (5)	0.2620 (8)	0.4415 (4)	0.095 (4)
N301	0.3400 (5)	0.5803 (8)	0.9042 (4)	0.093 (4)
C360	0.7455 (4)	−0.1449 (8)	0.4323 (4)	0.063 (3)
N305	0.5587 (5)	0.2269 (10)	0.8201 (5)	0.105 (5)
N324	0.8853 (5)	−0.2833 (8)	0.5777 (4)	0.094 (4)
N303	0.4514 (5)	0.4667 (8)	0.8325 (4)	0.087 (4)
N308	0.3129 (5)	0.5639 (7)	0.4942 (4)	0.087 (4)
N307	0.4005 (5)	0.7826 (8)	0.5913 (4)	0.093 (4)
N317	0.4336 (5)	0.2660 (8)	0.1690 (4)	0.086 (4)
N306	0.4559 (5)	0.7668 (9)	0.6806 (4)	0.091 (4)
N315	0.4072 (5)	0.1053 (8)	0.2888 (4)	0.087 (4)
N314	0.4327 (4)	−0.0247 (8)	0.3247 (4)	0.078 (3)
C362	0.8029 (4)	−0.1452 (8)	0.4831 (4)	0.061 (3)
C344	0.4591 (4)	−0.0342 (9)	0.2995 (4)	0.068 (3)
C370	0.8322 (5)	−0.1938 (9)	0.5153 (4)	0.075 (4)
C307	0.4791 (5)	0.4596 (9)	0.8077 (5)	0.077 (4)
C352	0.4873 (5)	−0.1157 (8)	0.3024 (4)	0.069 (3)
O2A	0.3920 (5)	−0.0728 (11)	0.7665 (5)	0.087 (5)	0.6077
C361	0.7819 (5)	−0.0185 (8)	0.4497 (4)	0.070 (3)
C316	0.4567 (5)	0.6505 (9)	0.7423 (4)	0.075 (4)
C357	0.7089 (5)	−0.1937 (8)	0.4067 (4)	0.073 (4)
C343	0.4356 (5)	0.0923 (10)	0.2668 (4)	0.076 (4)
C353	0.5107 (5)	−0.1361 (9)	0.2751 (5)	0.075 (4)
H353	0.508144	−0.099941	0.251967	0.090*
C345	0.4347 (6)	0.1532 (10)	0.2343 (4)	0.081 (4)
C312	0.5588 (5)	0.2829 (10)	0.7905 (5)	0.086 (4)
H312	0.578086	0.272414	0.772961	0.103*
C308	0.4557 (5)	0.5880 (9)	0.7756 (4)	0.074 (4)
C363	0.7862 (5)	0.0803 (8)	0.4451 (4)	0.069 (3)
O3A	0.2550 (6)	−0.0291 (10)	0.6848 (4)	0.086 (5)	0.6077
C309	0.5057 (5)	0.3761 (9)	0.8098 (5)	0.081 (4)
C334	0.2851 (5)	0.4296 (9)	0.4564 (4)	0.078 (4)
C303	0.3963 (5)	0.5526 (10)	0.8531 (5)	0.080 (4)
C326	0.2858 (5)	0.5280 (9)	0.4648 (4)	0.080 (4)
C369	0.8229 (6)	−0.2770 (9)	0.5252 (4)	0.085 (4)
H369	0.797881	−0.306625	0.510907	0.102*
C364	0.7624 (5)	0.1263 (9)	0.4130 (5)	0.079 (4)
H364	0.743597	0.095380	0.392245	0.095*
C314	0.4325 (6)	0.7823 (11)	0.7077 (6)	0.095 (5)
H314	0.415173	0.834548	0.705450	0.114*
C328	0.2104 (6)	0.7995 (10)	0.4294 (5)	0.093 (5)
H328	0.228081	0.829462	0.451190	0.111*
C368	0.8502 (5)	−0.3193 (10)	0.5566 (4)	0.087 (5)
H368	0.842993	−0.378038	0.563198	0.104*
C324	0.3076 (6)	0.6497 (9)	0.4985 (5)	0.085 (4)
C313	0.5312 (6)	0.3584 (10)	0.7841 (5)	0.094 (5)
H313	0.530793	0.395943	0.761711	0.112*
C365	0.7665 (5)	0.2177 (9)	0.4115 (5)	0.082 (4)
H365	0.752014	0.249128	0.388572	0.098*
C339	0.3785 (6)	0.0598 (12)	0.3464 (5)	0.091 (5)
C325	0.2525 (5)	0.6602 (9)	0.4474 (5)	0.083 (4)
O1A	0.2893 (5)	−0.2402 (12)	0.8065 (5)	0.094 (5)	0.6077
H1A	0.305406	−0.283759	0.814653	0.141*	0.6077
C354	0.5384 (5)	−0.2073 (10)	0.2796 (5)	0.085 (4)
H354	0.554356	−0.220747	0.259584	0.102*
C356	0.6810 (5)	−0.1528 (8)	0.3770 (5)	0.087 (5)
H356	0.685415	−0.091901	0.371385	0.105*
C366	0.8129 (6)	0.2198 (10)	0.4713 (5)	0.096 (5)
H366	0.831444	0.253074	0.491422	0.115*
C358	0.7010 (5)	−0.2819 (9)	0.4147 (5)	0.097 (5)
H358	0.719162	−0.311957	0.436218	0.117*
N313	0.3222 (7)	0.0941 (11)	0.3977 (6)	0.131 (7)
C359	0.6662 (5)	−0.3259 (11)	0.3911 (6)	0.104 (6)
H359	0.661457	−0.386840	0.396243	0.125*
C321	0.3400 (6)	0.6974 (10)	0.5325 (5)	0.089 (5)
C342	0.4075 (6)	0.0458 (11)	0.3191 (5)	0.087 (4)
C327	0.2171 (5)	0.7123 (9)	0.4222 (5)	0.083 (4)
C306	0.4270 (5)	0.5390 (10)	0.8266 (4)	0.080 (4)
C317	0.4828 (6)	0.6368 (12)	0.7163 (5)	0.093 (5)
H317	0.501724	0.586904	0.719155	0.112*
C367	0.8116 (6)	0.1293 (10)	0.4752 (5)	0.089 (5)
H367	0.827963	0.100592	0.498082	0.107*
C371	0.8683 (6)	−0.1519 (10)	0.5375 (5)	0.099 (6)
H371	0.874244	−0.091472	0.532360	0.119*
C315	0.4323 (5)	0.7245 (11)	0.7396 (5)	0.089 (4)
H315	0.415372	0.737159	0.758941	0.107*
C341	0.3570 (8)	0.0413 (14)	0.4075 (6)	0.111 (6)
H341	0.362455	0.015134	0.433294	0.134*
C329	0.1769 (5)	0.8439 (10)	0.4040 (5)	0.094 (5)
H329	0.173580	0.905818	0.408035	0.112*
C336	0.2589 (7)	0.3020 (11)	0.4182 (6)	0.106 (6)
H336	0.241055	0.277921	0.394833	0.128*
C355	0.6459 (6)	−0.1978 (9)	0.3544 (5)	0.099 (6)
H355	0.626553	−0.167112	0.333896	0.118*
C320	0.3356 (6)	0.7831 (10)	0.5393 (5)	0.099 (5)
H320	0.312474	0.815823	0.523560	0.118*
C305	0.3343 (8)	0.6181 (12)	0.8699 (7)	0.118 (7)
H305	0.309939	0.656343	0.862714	0.142*
C301	0.3741 (7)	0.5294 (13)	0.9136 (5)	0.106 (6)
H301	0.379538	0.501977	0.939146	0.127*
C349	0.4672 (6)	0.1585 (13)	0.2154 (6)	0.107 (6)
H349	0.492638	0.124436	0.224939	0.129*
C351	0.4900 (7)	−0.1715 (11)	0.3355 (5)	0.097 (5)
H351	0.473032	−0.160843	0.355051	0.117*
C333	0.3089 (6)	0.3739 (9)	0.4834 (5)	0.096 (5)
H333	0.326319	0.396348	0.507300	0.115*
C332	0.3070 (7)	0.2797 (11)	0.4752 (6)	0.104 (6)
H332	0.324988	0.240192	0.492916	0.125*
C331	0.1896 (7)	0.6685 (9)	0.3912 (6)	0.131 (9)
H331	0.193054	0.607308	0.385619	0.158*
C335	0.2603 (6)	0.3927 (10)	0.4238 (6)	0.104 (6)
H335	0.243353	0.430099	0.404246	0.125*
C323	0.4032 (6)	0.6941 (9)	0.5832 (6)	0.116 (7)
H323	0.427091	0.661661	0.597917	0.139*
C304	0.3613 (7)	0.6073 (13)	0.8421 (6)	0.116 (7)
H304	0.355387	0.636626	0.817029	0.140*
C322	0.3729 (6)	0.6473 (12)	0.5543 (6)	0.110 (6)
H322	0.375099	0.585083	0.550162	0.131*
C318	0.4816 (7)	0.6985 (11)	0.6843 (5)	0.108 (6)
H318	0.499738	0.689375	0.665674	0.130*
C372	0.8952 (7)	−0.1979 (10)	0.5667 (6)	0.110 (6)
H372	0.921486	−0.170852	0.579871	0.132*
C302	0.4021 (7)	0.5131 (14)	0.8895 (5)	0.101 (5)
H302	0.425896	0.474028	0.897928	0.121*
C350	0.5180 (7)	−0.2417 (13)	0.3388 (6)	0.106 (6)
H350	0.519823	−0.280610	0.360899	0.128*
C319	0.3645 (6)	0.8246 (11)	0.5690 (5)	0.102 (6)
H319	0.359599	0.885234	0.574589	0.122*
C340	0.3849 (8)	0.0224 (13)	0.3836 (6)	0.115 (7)
H340	0.408763	−0.016439	0.392495	0.138*
C7A	0.3239 (6)	−0.0481 (9)	0.7257 (6)	0.069 (5)	0.6077
C3A	0.3260 (6)	−0.1725 (10)	0.6783 (5)	0.069 (5)	0.6077
H3A	0.330508	−0.129147	0.659400	0.082*	0.6077
C330	0.1574 (7)	0.7191 (12)	0.3695 (7)	0.139 (9)
H330	0.138306	0.689871	0.348317	0.166*
C8A	0.3600 (7)	−0.0133 (11)	0.7507 (7)	0.086 (6)	0.6077
C9A	0.3630 (9)	0.0774 (12)	0.7580 (7)	0.099 (8)	0.6077
H9A	0.388403	0.100770	0.774686	0.119*	0.6077
C4A	0.3201 (7)	−0.1465 (9)	0.7157 (5)	0.074 (5)	0.6077
C348	0.4656 (7)	0.2134 (13)	0.1811 (6)	0.108 (5)
H348	0.488645	0.210843	0.167034	0.129*
C311	0.5324 (9)	0.2436 (16)	0.8439 (9)	0.146 (10)
H311	0.532200	0.203030	0.865159	0.175*
C1A	0.3179 (6)	−0.3253 (11)	0.6961 (6)	0.086 (7)	0.6077
H1AA	0.316909	−0.386678	0.689300	0.103*	0.6077
C338	0.3437 (7)	0.1199 (15)	0.3373 (6)	0.116 (7)
H338	0.338754	0.150336	0.312473	0.140*
C310	0.5043 (8)	0.3167 (12)	0.8406 (7)	0.129 (8)
H310	0.485211	0.325298	0.858560	0.155*
C2A	0.3252 (6)	−0.2625 (11)	0.6688 (6)	0.075 (6)	0.6077
H2A	0.329601	−0.280777	0.643334	0.091*	0.6077
C10A	0.3300 (8)	0.1339 (15)	0.7415 (7)	0.096 (8)	0.6077
H10A	0.332149	0.195801	0.747202	0.116*	0.6077
C12A	0.2906 (6)	0.0097 (11)	0.7092 (6)	0.080 (6)	0.6077
C11A	0.2940 (9)	0.1002 (11)	0.7167 (6)	0.094 (7)	0.6077
H11A	0.271338	0.139019	0.704605	0.113*	0.6077
C5A	0.3144 (6)	−0.2095 (10)	0.7441 (5)	0.083 (6)	0.6077
C6A	0.3122 (7)	−0.2992 (10)	0.7333 (6)	0.088 (7)	0.6077
H6A	0.306693	−0.342793	0.751761	0.106*	0.6077
C337	0.3174 (10)	0.1354 (18)	0.3626 (8)	0.150 (10)
H337	0.294512	0.177265	0.355449	0.179*
C13A	0.3119 (10)	−0.1797 (15)	0.7860 (6)	0.106 (9)	0.6077
H13A	0.341732	−0.171915	0.801761	0.127*	0.6077
H13B	0.297277	−0.121110	0.784439	0.127*	0.6077
C347	0.4016 (9)	0.2589 (18)	0.1859 (8)	0.158 (9)
H347	0.375566	0.288232	0.173745	0.190*
C15A	0.2182 (9)	0.027 (2)	0.6719 (8)	0.115 (10)	0.6077
H15A	0.195417	−0.007129	0.654288	0.173*	0.6077
H15B	0.226524	0.077957	0.657511	0.173*	0.6077
H15C	0.207276	0.047428	0.695191	0.173*	0.6077
C346	0.4015 (9)	0.211 (2)	0.2215 (8)	0.163 (9)
H346	0.378897	0.218495	0.235895	0.196*
C14A	0.4303 (9)	−0.041 (3)	0.7919 (13)	0.157 (16)	0.6077
H14A	0.444599	0.002033	0.777454	0.236*	0.6077
H14B	0.450005	−0.091406	0.800367	0.236*	0.6077
H14C	0.422916	−0.012858	0.815351	0.236*	0.6077
I309	0.56196 (11)	−0.4689 (3)	0.36897 (15)	0.1061 (16)	0.572 (3)
Zn35	0.58954 (10)	−0.3550 (3)	0.32540 (14)	0.0646 (14)	0.572 (3)
I310	0.61754 (9)	−0.3892 (3)	0.26268 (13)	0.0882 (11)	0.572 (3)
I304	0.63427 (13)	0.0981 (3)	0.77440 (14)	0.174 (2)	0.7832
Zn32	0.60389 (10)	0.1273 (2)	0.83489 (15)	0.0938 (14)	0.7832
I303	0.56744 (15)	0.0177 (2)	0.87538 (15)	0.204 (2)	0.7832
I305	0.41629 (14)	0.9937 (3)	0.64852 (18)	0.0876 (14)	0.4949
Zn33	0.4489 (2)	0.8462 (5)	0.63039 (19)	0.112 (5)	0.4949
I306	0.5140 (3)	0.8262 (8)	0.6004 (3)	0.192 (5)	0.4949
I407	0.3212 (3)	0.0351 (4)	0.5076 (2)	0.237 (5)	0.4648
Zn44	0.2892 (4)	0.1094 (5)	0.4426 (3)	0.201 (7)	0.4648
I408	0.2148 (3)	0.0645 (4)	0.4042 (3)	0.271 (5)	0.4648
I311	0.89453 (13)	−0.4957 (2)	0.63427 (13)	0.1207 (11)	0.6354
Zn36	0.9280 (2)	−0.3482 (6)	0.6189 (2)	0.0760 (13)	0.6354
I312	0.99973 (16)	−0.3387 (4)	0.59848 (11)	0.1309 (18)	0.6354
I301	0.22325 (10)	0.5374 (2)	0.90082 (13)	0.1003 (10)	0.5197
Zn31	0.29509 (14)	0.5960 (4)	0.93948 (13)	0.0704 (15)	0.5197
I302	0.32885 (14)	0.5381 (3)	1.00796 (11)	0.1050 (12)	0.5197
I411	0.8995 (5)	−0.4837 (6)	0.6401 (4)	0.279 (9)	0.3646
Zn46	0.9378 (7)	−0.3473 (14)	0.6245 (6)	0.158 (8)	0.3646
I412	1.0081 (5)	−0.3264 (11)	0.5986 (4)	0.202 (6)	0.3646
I510	0.6185 (11)	−0.370 (2)	0.2479 (7)	0.080*	0.061 (3)
I509	0.5814 (9)	−0.4917 (15)	0.3536 (6)	0.080*	0.061 (3)
Zn55	0.5949 (6)	−0.355 (2)	0.3139 (8)	0.080*	0.061 (3)
I505	0.4360 (13)	0.984 (3)	0.6287 (13)	0.080*	0.0366
Zn53	0.464 (2)	0.836 (5)	0.617 (2)	0.080*	0.0366
I506	0.5304 (13)	0.788 (2)	0.5971 (14)	0.080*	0.0366
C4B	0.2356 (15)	0.242 (2)	0.2563 (11)	0.118 (14)	0.1793
C3B	0.2283 (19)	0.160 (3)	0.2727 (15)	0.111 (15)	0.1793
H3B	0.210611	0.156645	0.292004	0.134*	0.1793
C2B	0.247 (2)	0.084 (2)	0.261 (2)	0.113 (17)	0.1793
H2B	0.241871	0.027598	0.271917	0.135*	0.1793
C1B	0.273 (2)	0.089 (3)	0.232 (2)	0.107 (17)	0.1793
H1B	0.285455	0.036318	0.224252	0.129*	0.1793
C6B	0.2801 (16)	0.171 (3)	0.2160 (15)	0.111 (16)	0.1793
H6B	0.297779	0.174086	0.196673	0.133*	0.1793
C5B	0.2615 (14)	0.247 (3)	0.2280 (10)	0.107 (14)	0.1793
C9B	0.1751 (18)	0.453 (3)	0.2679 (15)	0.117 (17)	0.1793
H9B	0.148867	0.481251	0.255499	0.141*	0.1793
O3B	0.2887 (15)	0.328 (4)	0.3216 (13)	0.109 (14)	0.1793
C11B	0.2420 (19)	0.455 (3)	0.3162 (14)	0.109 (16)	0.1793
H11B	0.261749	0.485068	0.336807	0.131*	0.1793
C7B	0.2229 (13)	0.327 (3)	0.2741 (10)	0.119 (13)	0.1793
O2B	0.1595 (18)	0.317 (4)	0.2258 (15)	0.128 (18)	0.1793
C12B	0.2513 (14)	0.370 (3)	0.3042 (11)	0.107 (14)	0.1793
C8B	0.1843 (13)	0.368 (3)	0.2556 (12)	0.114 (15)	0.1793
C10B	0.204 (2)	0.497 (3)	0.2977 (16)	0.112 (17)	0.1793
H10B	0.197012	0.554783	0.305588	0.135*	0.1793
C803	0.1707 (18)	0.315 (3)	0.5932 (13)	0.129 (18)	0.2583
H80A	0.166012	0.376556	0.601426	0.155*	0.2583
H80B	0.188306	0.316594	0.572376	0.155*	0.2583
C804	0.1945 (16)	0.261 (4)	0.6294 (14)	0.142 (18)	0.2583
H80C	0.200099	0.199630	0.620745	0.171*	0.2583
H80D	0.222777	0.288889	0.640479	0.171*	0.2583
C805	0.1672 (19)	0.256 (4)	0.6619 (10)	0.146 (19)	0.2583
H80E	0.182235	0.217578	0.683915	0.176*	0.2583
H80F	0.164774	0.316284	0.672771	0.176*	0.2583
C806	0.1215 (19)	0.219 (3)	0.6459 (13)	0.141 (19)	0.2583
H80G	0.104176	0.223360	0.666937	0.169*	0.2583
H80H	0.123610	0.155116	0.639170	0.169*	0.2583
C801	0.0986 (16)	0.270 (4)	0.6087 (12)	0.131 (18)	0.2583
H80I	0.093362	0.332200	0.616138	0.157*	0.2583
H80J	0.070196	0.242097	0.597879	0.157*	0.2583
C802	0.1266 (18)	0.270 (3)	0.5767 (9)	0.126 (18)	0.2583
H80K	0.111386	0.301970	0.552742	0.151*	0.2583
H80L	0.131449	0.207619	0.568897	0.151*	0.2583
C14B	0.123 (3)	0.361 (7)	0.202 (3)	0.16 (3)	0.1793
H14D	0.119848	0.343848	0.174019	0.233*	0.1793
H14E	0.126447	0.425816	0.204497	0.233*	0.1793
H14F	0.096291	0.343833	0.211256	0.233*	0.1793
C15B	0.322 (2)	0.377 (7)	0.348 (3)	0.14 (3)	0.1793
H15D	0.337602	0.414434	0.332699	0.215*	0.1793
H15E	0.341555	0.335371	0.364548	0.215*	0.1793
H15F	0.307940	0.414864	0.365505	0.215*	0.1793
O1B	0.308 (2)	0.342 (5)	0.198 (3)	0.16 (2)	0.1793
H1BA	0.326982	0.311307	0.213668	0.238*	0.1793
C13B	0.2680 (19)	0.337 (3)	0.2106 (17)	0.121 (16)	0.1793
H13C	0.244143	0.348630	0.187530	0.146*	0.1793
H13D	0.267013	0.383571	0.230899	0.146*	0.1793

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I405	0.288 (10)	0.036 (2)	0.153 (6)	−0.013 (4)	−0.087 (5)	−0.001 (2)
I410	0.278 (11)	0.076 (4)	0.194 (7)	0.024 (5)	−0.085 (7)	−0.054 (4)
I409	0.291 (13)	0.045 (4)	0.305 (15)	−0.005 (5)	−0.114 (11)	0.065 (6)
I404	0.0422 (18)	0.080 (4)	0.069 (3)	0.006 (2)	−0.0163 (18)	−0.027 (3)
I401	0.348 (11)	0.062 (3)	0.448 (13)	−0.078 (4)	0.217 (9)	−0.066 (4)
I402	0.575 (17)	0.093 (5)	0.280 (9)	0.137 (7)	0.273 (10)	0.099 (5)
I307	0.1182 (16)	0.0510 (11)	0.0997 (16)	0.0157 (10)	0.0486 (13)	0.0128 (10)
I406	0.095 (2)	0.146 (6)	0.085 (3)	−0.034 (3)	0.025 (2)	−0.006 (3)
I403	0.073 (3)	0.035 (2)	0.070 (2)	−0.0007 (18)	−0.0181 (19)	−0.0053 (18)
I308	0.0932 (13)	0.0476 (13)	0.1276 (17)	−0.0087 (10)	0.0121 (12)	−0.0139 (11)
Zn45	0.265 (16)	0.030 (5)	0.198 (15)	0.014 (6)	−0.110 (11)	−0.023 (6)
Zn43	0.127 (7)	0.048 (5)	0.086 (6)	−0.010 (4)	0.032 (5)	0.007 (3)
Zn42	0.31 (3)	0.085 (15)	0.175 (19)	0.011 (15)	−0.16 (2)	−0.074 (13)
Zn41	0.39 (2)	0.027 (4)	0.286 (15)	−0.004 (6)	0.177 (15)	0.002 (6)
Zn34	0.084 (2)	0.049 (2)	0.093 (3)	0.0048 (17)	0.035 (2)	−0.0034 (18)
N320	0.076 (6)	0.032 (4)	0.071 (6)	0.002 (4)	−0.004 (5)	−0.005 (4)
N304	0.092 (8)	0.038 (5)	0.076 (7)	0.011 (5)	−0.018 (6)	0.000 (5)
N316	0.097 (8)	0.046 (6)	0.072 (7)	−0.003 (5)	0.005 (6)	0.001 (5)
N321	0.089 (7)	0.035 (5)	0.064 (6)	−0.004 (5)	−0.011 (5)	−0.006 (4)
N322	0.090 (7)	0.043 (5)	0.077 (7)	−0.002 (5)	−0.021 (6)	−0.011 (5)
N302	0.103 (9)	0.053 (6)	0.075 (7)	0.002 (6)	−0.006 (7)	−0.004 (5)
N319	0.090 (7)	0.037 (5)	0.091 (7)	0.003 (5)	−0.039 (6)	−0.010 (5)
N310	0.098 (8)	0.047 (6)	0.082 (7)	−0.007 (6)	−0.016 (6)	0.005 (5)
N318	0.088 (8)	0.059 (7)	0.077 (7)	−0.001 (6)	−0.034 (6)	−0.002 (6)
N312	0.115 (10)	0.055 (7)	0.102 (10)	0.003 (7)	0.021 (8)	−0.007 (7)
N311	0.106 (9)	0.044 (6)	0.109 (9)	−0.002 (6)	−0.025 (7)	0.014 (6)
N309	0.099 (8)	0.038 (5)	0.083 (7)	−0.007 (5)	−0.032 (6)	0.008 (5)
N323	0.130 (11)	0.046 (6)	0.107 (10)	−0.005 (7)	0.016 (9)	−0.003 (7)
N301	0.122 (11)	0.051 (7)	0.098 (9)	0.002 (7)	0.003 (8)	0.009 (6)
C360	0.073 (7)	0.038 (6)	0.068 (7)	0.002 (5)	−0.009 (6)	−0.008 (5)
N305	0.105 (11)	0.073 (9)	0.119 (12)	0.000 (8)	−0.025 (9)	0.002 (9)
N324	0.130 (10)	0.046 (6)	0.080 (7)	0.012 (6)	−0.041 (7)	−0.018 (5)
N303	0.100 (9)	0.058 (7)	0.087 (8)	0.007 (6)	−0.018 (7)	−0.013 (6)
N308	0.124 (10)	0.035 (5)	0.086 (8)	0.002 (6)	−0.022 (7)	0.006 (5)
N307	0.120 (10)	0.044 (6)	0.095 (8)	−0.007 (6)	−0.028 (7)	0.009 (6)
N317	0.107 (9)	0.060 (7)	0.077 (7)	0.005 (7)	−0.012 (7)	0.005 (6)
N306	0.115 (10)	0.076 (9)	0.071 (7)	0.014 (8)	−0.005 (7)	0.015 (6)
N315	0.127 (11)	0.051 (6)	0.084 (8)	0.016 (7)	0.019 (8)	0.010 (6)
N314	0.083 (8)	0.071 (8)	0.077 (7)	0.003 (6)	0.009 (6)	0.003 (6)
C362	0.072 (7)	0.040 (6)	0.062 (6)	0.000 (5)	−0.012 (6)	0.000 (5)
C344	0.071 (8)	0.054 (7)	0.071 (8)	0.003 (6)	−0.003 (6)	0.006 (6)
C370	0.087 (9)	0.049 (7)	0.075 (8)	−0.003 (6)	−0.017 (7)	−0.017 (6)
C307	0.087 (9)	0.046 (7)	0.081 (9)	0.003 (6)	−0.025 (8)	−0.008 (6)
C352	0.078 (8)	0.051 (7)	0.062 (7)	−0.001 (6)	−0.021 (6)	0.002 (5)
O2A	0.087 (10)	0.070 (10)	0.105 (12)	−0.019 (8)	0.025 (9)	−0.016 (9)
C361	0.085 (9)	0.038 (6)	0.080 (8)	0.005 (6)	0.000 (7)	−0.001 (6)
C316	0.087 (9)	0.050 (7)	0.072 (8)	0.010 (6)	−0.024 (7)	−0.011 (6)
C357	0.085 (9)	0.041 (6)	0.079 (8)	−0.004 (6)	−0.017 (7)	−0.015 (6)
C343	0.089 (9)	0.059 (8)	0.079 (9)	0.011 (7)	0.017 (8)	0.010 (7)
C353	0.077 (8)	0.055 (7)	0.088 (9)	0.005 (7)	0.007 (7)	0.011 (7)
C345	0.095 (10)	0.068 (9)	0.077 (8)	0.013 (8)	0.012 (8)	0.016 (7)
C312	0.100 (11)	0.055 (8)	0.086 (9)	0.008 (7)	−0.020 (8)	−0.014 (7)
C308	0.089 (9)	0.055 (7)	0.060 (7)	0.004 (7)	−0.031 (7)	−0.005 (6)
C363	0.088 (9)	0.039 (6)	0.069 (7)	−0.003 (6)	−0.006 (6)	−0.008 (5)
O3A	0.123 (13)	0.062 (9)	0.067 (8)	0.037 (9)	0.007 (8)	0.020 (7)
C309	0.084 (9)	0.044 (7)	0.101 (11)	0.005 (7)	−0.017 (8)	−0.001 (7)
C334	0.096 (10)	0.054 (7)	0.074 (8)	−0.001 (7)	−0.007 (7)	0.013 (6)
C303	0.093 (10)	0.056 (8)	0.083 (9)	−0.003 (7)	0.000 (8)	−0.002 (7)
C326	0.095 (10)	0.045 (7)	0.084 (9)	0.000 (7)	−0.014 (8)	−0.004 (6)
C369	0.121 (12)	0.046 (7)	0.071 (8)	0.006 (7)	−0.019 (8)	−0.007 (6)
C364	0.081 (9)	0.040 (6)	0.102 (10)	0.005 (6)	−0.013 (7)	−0.006 (6)
C314	0.087 (10)	0.070 (10)	0.108 (12)	0.005 (8)	−0.027 (9)	0.023 (9)
C328	0.111 (12)	0.054 (8)	0.100 (11)	0.006 (8)	−0.012 (9)	−0.005 (7)
C368	0.105 (11)	0.053 (8)	0.084 (9)	0.011 (7)	−0.026 (8)	−0.014 (7)
C324	0.106 (11)	0.047 (7)	0.090 (10)	0.007 (7)	−0.006 (8)	0.008 (7)
C313	0.114 (12)	0.054 (8)	0.088 (10)	0.019 (8)	−0.040 (9)	−0.007 (7)
C365	0.109 (11)	0.045 (7)	0.082 (9)	−0.003 (7)	−0.003 (8)	−0.006 (6)
C339	0.116 (13)	0.078 (10)	0.078 (9)	0.016 (9)	0.019 (9)	0.001 (8)
C325	0.094 (10)	0.052 (7)	0.087 (9)	0.008 (7)	−0.016 (8)	0.019 (7)
O1A	0.080 (10)	0.082 (11)	0.108 (12)	0.004 (9)	−0.011 (9)	0.049 (10)
C354	0.087 (9)	0.058 (8)	0.097 (10)	0.003 (7)	−0.015 (8)	−0.021 (8)
C356	0.118 (12)	0.029 (6)	0.096 (10)	−0.004 (7)	−0.024 (9)	0.003 (6)
C366	0.142 (15)	0.046 (7)	0.085 (10)	−0.012 (9)	−0.008 (10)	−0.020 (7)
C358	0.098 (11)	0.046 (7)	0.119 (12)	0.007 (7)	−0.044 (9)	0.010 (8)
N313	0.184 (19)	0.073 (10)	0.162 (17)	0.012 (11)	0.102 (15)	−0.004 (10)
C359	0.089 (10)	0.056 (8)	0.142 (15)	−0.008 (8)	−0.038 (10)	−0.005 (9)
C321	0.108 (11)	0.049 (7)	0.088 (9)	−0.003 (7)	−0.028 (8)	0.008 (7)
C342	0.111 (12)	0.067 (9)	0.082 (9)	0.012 (9)	0.015 (9)	−0.003 (7)
C327	0.092 (10)	0.043 (7)	0.098 (10)	0.008 (7)	−0.022 (8)	0.018 (7)
C306	0.098 (10)	0.062 (8)	0.063 (7)	0.014 (7)	−0.022 (7)	0.004 (6)
C317	0.115 (13)	0.082 (11)	0.079 (9)	0.020 (10)	0.008 (9)	0.016 (8)
C367	0.119 (12)	0.049 (7)	0.083 (9)	−0.003 (8)	−0.019 (9)	−0.005 (7)
C371	0.109 (12)	0.056 (8)	0.099 (11)	0.001 (8)	−0.054 (9)	0.004 (7)
C315	0.096 (10)	0.076 (10)	0.082 (9)	0.010 (8)	−0.016 (8)	0.008 (8)
C341	0.151 (18)	0.096 (14)	0.094 (12)	0.022 (13)	0.040 (12)	0.025 (10)
C329	0.096 (10)	0.056 (8)	0.104 (11)	0.000 (7)	−0.039 (9)	0.009 (8)
C336	0.152 (17)	0.053 (9)	0.103 (12)	−0.007 (10)	0.000 (11)	−0.014 (8)
C355	0.112 (12)	0.047 (7)	0.104 (11)	−0.009 (7)	−0.054 (9)	0.010 (7)
C320	0.118 (12)	0.051 (8)	0.104 (11)	0.009 (8)	−0.031 (10)	0.022 (8)
C305	0.153 (18)	0.070 (11)	0.134 (16)	0.047 (12)	0.032 (14)	0.045 (11)
C301	0.148 (17)	0.076 (11)	0.080 (10)	−0.006 (12)	−0.009 (11)	0.005 (9)
C349	0.096 (11)	0.094 (12)	0.116 (12)	0.012 (9)	−0.014 (10)	0.047 (10)
C351	0.135 (14)	0.067 (10)	0.085 (10)	0.015 (10)	0.012 (10)	0.019 (8)
C333	0.132 (14)	0.042 (7)	0.092 (10)	0.001 (8)	−0.025 (9)	0.004 (7)
C332	0.134 (15)	0.054 (9)	0.115 (13)	0.016 (10)	0.006 (12)	0.028 (9)
C331	0.172 (18)	0.034 (7)	0.135 (14)	0.005 (9)	−0.096 (13)	0.008 (8)
C335	0.128 (14)	0.041 (7)	0.119 (13)	−0.005 (8)	−0.030 (11)	−0.003 (8)
C323	0.134 (14)	0.036 (7)	0.139 (15)	−0.002 (8)	−0.061 (12)	0.013 (8)
C304	0.146 (17)	0.088 (13)	0.121 (14)	0.047 (12)	0.041 (13)	0.047 (11)
C322	0.119 (14)	0.063 (9)	0.121 (14)	−0.003 (9)	−0.036 (11)	0.002 (9)
C318	0.165 (18)	0.064 (9)	0.098 (11)	0.043 (11)	0.028 (12)	0.026 (8)
C372	0.138 (15)	0.040 (7)	0.123 (13)	0.006 (8)	−0.041 (11)	0.004 (8)
C302	0.119 (14)	0.107 (14)	0.076 (10)	0.018 (11)	0.017 (10)	0.007 (9)
C350	0.119 (14)	0.092 (13)	0.112 (13)	0.024 (11)	0.032 (12)	0.045 (11)
C319	0.120 (13)	0.063 (9)	0.103 (11)	0.010 (9)	−0.025 (10)	0.003 (8)
C340	0.146 (17)	0.088 (12)	0.121 (15)	0.038 (12)	0.049 (14)	0.042 (11)
C7A	0.098 (13)	0.032 (9)	0.079 (12)	0.005 (9)	0.023 (10)	0.003 (8)
C3A	0.058 (10)	0.035 (9)	0.096 (13)	0.006 (8)	−0.027 (10)	−0.008 (9)
C330	0.147 (17)	0.060 (10)	0.160 (18)	0.008 (11)	−0.084 (14)	−0.008 (11)
C8A	0.122 (16)	0.047 (10)	0.103 (14)	−0.017 (11)	0.056 (13)	0.000 (10)
C9A	0.16 (2)	0.063 (13)	0.091 (15)	−0.022 (14)	0.071 (15)	−0.002 (11)
C4A	0.087 (12)	0.023 (8)	0.104 (14)	0.006 (8)	0.002 (11)	0.008 (9)
C348	0.106 (11)	0.088 (11)	0.120 (12)	0.001 (10)	0.001 (10)	0.036 (10)
C311	0.18 (2)	0.100 (16)	0.17 (2)	0.032 (16)	0.06 (2)	0.071 (16)
C1A	0.057 (11)	0.048 (11)	0.130 (17)	−0.002 (9)	−0.030 (12)	−0.034 (12)
C338	0.128 (15)	0.128 (17)	0.098 (12)	0.058 (13)	0.036 (12)	0.027 (11)
C310	0.17 (2)	0.065 (11)	0.147 (18)	0.027 (12)	0.024 (16)	0.041 (12)
C2A	0.056 (10)	0.059 (12)	0.100 (14)	0.003 (9)	−0.014 (10)	−0.020 (11)
C10A	0.17 (2)	0.052 (12)	0.082 (14)	0.001 (14)	0.069 (15)	0.006 (11)
C12A	0.141 (17)	0.040 (9)	0.067 (11)	0.018 (11)	0.041 (12)	0.010 (8)
C11A	0.17 (2)	0.056 (12)	0.062 (12)	0.026 (14)	0.042 (14)	0.019 (10)
C5A	0.084 (13)	0.051 (11)	0.107 (14)	−0.001 (10)	0.004 (12)	0.012 (11)
C6A	0.059 (11)	0.041 (10)	0.152 (19)	−0.004 (9)	−0.009 (13)	0.019 (12)
C337	0.19 (3)	0.128 (19)	0.15 (2)	0.046 (18)	0.10 (2)	0.040 (17)
C13A	0.14 (2)	0.055 (13)	0.109 (17)	−0.024 (14)	−0.013 (16)	0.026 (13)
C347	0.160 (17)	0.162 (18)	0.160 (17)	0.082 (15)	0.049 (14)	0.095 (14)
C15A	0.15 (3)	0.11 (2)	0.093 (18)	0.05 (2)	0.033 (18)	0.025 (16)
C346	0.173 (18)	0.174 (19)	0.160 (17)	0.083 (16)	0.073 (15)	0.083 (15)
C14A	0.08 (2)	0.13 (3)	0.26 (4)	−0.03 (2)	0.04 (2)	−0.07 (3)
I309	0.0847 (15)	0.064 (2)	0.141 (3)	−0.0191 (15)	−0.0449 (18)	0.0419 (19)
Zn35	0.0469 (17)	0.042 (3)	0.087 (3)	−0.0020 (16)	−0.0290 (19)	−0.001 (2)
I310	0.0577 (10)	0.073 (2)	0.120 (3)	−0.0030 (11)	−0.0148 (15)	−0.0416 (18)
I304	0.178 (3)	0.103 (2)	0.198 (3)	0.025 (2)	−0.063 (2)	−0.073 (2)
Zn32	0.0832 (19)	0.045 (2)	0.126 (3)	0.0044 (15)	−0.0423 (19)	−0.006 (2)
I303	0.192 (3)	0.0698 (17)	0.299 (5)	−0.0119 (17)	−0.069 (3)	0.068 (3)
I305	0.0883 (17)	0.051 (2)	0.099 (2)	−0.0100 (13)	−0.0391 (17)	−0.0024 (14)
Zn33	0.129 (8)	0.073 (7)	0.088 (6)	−0.020 (5)	−0.085 (5)	0.019 (4)
I306	0.267 (10)	0.131 (7)	0.150 (6)	−0.040 (6)	−0.026 (6)	0.024 (5)
I407	0.465 (13)	0.083 (3)	0.220 (7)	0.115 (6)	0.205 (8)	0.077 (4)
Zn44	0.37 (2)	0.026 (3)	0.244 (14)	−0.011 (6)	0.152 (13)	−0.005 (5)
I408	0.376 (12)	0.087 (4)	0.410 (13)	−0.103 (5)	0.220 (10)	−0.093 (5)
I311	0.181 (2)	0.0388 (14)	0.0997 (15)	−0.0033 (13)	−0.0732 (17)	0.0009 (11)
Zn36	0.100 (2)	0.053 (2)	0.054 (2)	0.0261 (18)	−0.034 (2)	−0.0106 (18)
I312	0.126 (2)	0.187 (5)	0.0710 (15)	0.094 (3)	−0.0011 (13)	0.0071 (19)
I301	0.0913 (15)	0.0389 (13)	0.164 (3)	−0.0025 (11)	0.0104 (16)	0.0239 (14)
Zn31	0.095 (3)	0.035 (3)	0.082 (3)	0.014 (2)	0.019 (2)	0.022 (2)
I302	0.153 (3)	0.070 (2)	0.0935 (19)	0.0472 (19)	0.030 (2)	0.0452 (17)
I411	0.497 (18)	0.041 (2)	0.190 (8)	−0.053 (4)	−0.192 (8)	−0.001 (3)
Zn46	0.27 (2)	0.060 (6)	0.097 (8)	0.025 (9)	−0.077 (8)	−0.015 (5)
I412	0.273 (14)	0.146 (7)	0.158 (8)	0.049 (7)	−0.024 (7)	0.033 (6)
C4B	0.13 (3)	0.14 (2)	0.07 (3)	0.00 (2)	−0.04 (2)	−0.039 (18)
C3B	0.12 (3)	0.14 (2)	0.06 (3)	0.02 (3)	−0.02 (2)	−0.03 (2)
C2B	0.11 (4)	0.14 (2)	0.07 (3)	0.02 (3)	−0.03 (3)	−0.03 (3)
C1B	0.11 (4)	0.12 (2)	0.07 (3)	0.01 (3)	−0.03 (2)	−0.04 (3)
C6B	0.12 (3)	0.12 (3)	0.07 (3)	−0.01 (3)	−0.04 (2)	−0.04 (2)
C5B	0.11 (3)	0.12 (2)	0.06 (3)	−0.01 (2)	−0.05 (2)	−0.04 (2)
C9B	0.15 (3)	0.11 (3)	0.07 (3)	−0.01 (2)	−0.01 (2)	−0.02 (2)
O3B	0.15 (3)	0.13 (3)	0.04 (2)	−0.01 (3)	0.005 (18)	0.00 (2)
C11B	0.14 (3)	0.12 (3)	0.05 (3)	−0.02 (3)	0.00 (2)	−0.02 (2)
C7B	0.15 (3)	0.13 (2)	0.06 (2)	−0.01 (2)	−0.013 (17)	−0.028 (18)
O2B	0.17 (3)	0.11 (3)	0.09 (3)	−0.01 (3)	−0.03 (2)	−0.02 (2)
C12B	0.15 (3)	0.12 (3)	0.05 (2)	−0.02 (2)	0.000 (18)	−0.016 (18)
C8B	0.15 (3)	0.11 (3)	0.07 (2)	−0.01 (2)	−0.01 (2)	−0.02 (2)
C10B	0.15 (4)	0.12 (3)	0.06 (3)	−0.01 (3)	0.00 (2)	−0.02 (2)
C803	0.25 (5)	0.06 (3)	0.09 (3)	0.09 (3)	0.08 (3)	0.04 (2)
C804	0.26 (5)	0.07 (3)	0.11 (3)	0.09 (3)	0.08 (3)	0.05 (2)
C805	0.28 (5)	0.08 (3)	0.09 (3)	0.08 (3)	0.07 (3)	0.04 (2)
C806	0.28 (5)	0.08 (3)	0.08 (2)	0.07 (3)	0.09 (3)	0.03 (2)
C801	0.26 (5)	0.08 (3)	0.07 (2)	0.07 (3)	0.09 (3)	0.02 (2)
C802	0.26 (5)	0.06 (3)	0.08 (2)	0.07 (3)	0.09 (3)	0.02 (2)
C14B	0.17 (5)	0.14 (6)	0.13 (5)	−0.03 (4)	−0.05 (4)	0.02 (5)
C15B	0.15 (4)	0.21 (7)	0.06 (4)	−0.05 (5)	0.00 (3)	0.01 (4)
O1B	0.13 (4)	0.13 (5)	0.20 (6)	0.04 (4)	−0.02 (4)	0.07 (4)
C13B	0.11 (3)	0.13 (3)	0.09 (3)	−0.01 (3)	−0.06 (3)	−0.02 (3)

Geometric parameters (Å, º)

I405—Zn43	2.514 (8)	C327—C331	1.39 (2)
I410—Zn45	2.526 (13)	C317—H317	0.9500
I409—Zn45	2.552 (13)	C317—C318	1.43 (2)
I404—Zn42	2.485 (15)	C367—H367	0.9500
I401—Zn41	2.511 (13)	C371—H371	0.9500
I402—Zn41	2.505 (12)	C371—C372	1.36 (2)
I307—Zn34	2.516 (7)	C315—H315	0.9500
I406—Zn43	2.536 (7)	C341—H341	0.9500
I403—Zn42	2.581 (16)	C341—C340	1.35 (3)
I308—Zn34	2.525 (6)	C329—H329	0.9500
Zn45—N319	2.030 (15)	C336—H336	0.9500
Zn45—N318	2.144 (16)	C336—C335	1.38 (2)
Zn43—N307	1.998 (14)	C355—H355	0.9500
Zn43—N306	2.080 (14)	C320—H320	0.9500
Zn42—N311^i	2.17 (2)	C320—C319	1.37 (2)
Zn42—N305	2.00 (2)	C305—H305	0.9500
Zn41—N323^ii	2.054 (16)	C305—C304	1.41 (3)
Zn41—N301	2.083 (19)	C301—H301	0.9500
Zn34—N312	2.104 (14)	C301—C302	1.35 (3)
Zn34—N313	2.072 (17)	C349—H349	0.9500
N320—C360	1.313 (15)	C349—C348	1.43 (2)
N320—C362	1.328 (15)	C351—H351	0.9500
N304—C307	1.336 (19)	C351—C350	1.36 (2)
N304—C308	1.369 (17)	C333—H333	0.9500
N316—C344	1.341 (17)	C333—C332	1.44 (2)
N316—C343	1.361 (18)	C332—H332	0.9500
N321—C360	1.339 (15)	C331—H331	0.9500
N321—C361	1.345 (16)	C331—C330	1.36 (2)
N322—C362	1.337 (16)	C335—H335	0.9500
N322—C361	1.314 (17)	C323—H323	0.9500
N302—C308	1.31 (2)	C323—C322	1.42 (2)
N302—C306	1.336 (19)	C304—H304	0.9500
N319—C359	1.347 (19)	C322—H322	0.9500
N319—C355	1.350 (17)	C318—H318	0.9500
N319—Zn35	2.065 (11)	C372—H372	0.9500
N319—Zn55	2.18 (3)	C302—H302	0.9500
N310—C326	1.348 (18)	C350—H350	0.9500
N310—C325	1.352 (18)	C319—H319	0.9500
N318—C354	1.35 (2)	C340—H340	0.9500
N318—C350	1.33 (2)	C7A—C8A	1.378 (15)
N318—Zn35	2.052 (13)	C7A—C4A	1.517 (15)
N318—Zn55	2.18 (3)	C7A—C12A	1.389 (15)
N312—C336	1.30 (2)	C3A—H3A	0.9500
N312—C332	1.27 (2)	C3A—C4A	1.385 (14)
N312—Zn44	2.107 (15)	C3A—C2A	1.390 (14)
N311—C329	1.319 (19)	C330—H330	0.9500
N311—C330	1.33 (2)	C8A—C9A	1.384 (16)
N311—Zn32^iii	2.039 (13)	C9A—H9A	0.9500
N309—C324	1.291 (18)	C9A—C10A	1.372 (17)
N309—C325	1.326 (18)	C4A—C5A	1.395 (14)
N323—C365	1.317 (19)	C348—H348	0.9500
N323—C366	1.29 (2)	C311—H311	0.9500
N323—Zn31^iv	2.142 (14)	C311—C310	1.40 (3)
N301—C305	1.28 (2)	C1A—H1AA	0.9500
N301—C301	1.30 (2)	C1A—C2A	1.382 (15)
N301—Zn31	2.052 (17)	C1A—C6A	1.379 (15)
C360—C357	1.490 (16)	C338—H338	0.9500
N305—C312	1.32 (2)	C338—C337	1.34 (3)
N305—C311	1.30 (3)	C310—H310	0.9500
N305—Zn32	2.056 (16)	C2A—H2A	0.9500
N324—C368	1.309 (19)	C10A—H10A	0.9500
N324—C372	1.39 (2)	C10A—C11A	1.367 (17)
N324—Zn36	1.992 (14)	C12A—C11A	1.383 (16)
N324—Zn46	2.27 (2)	C11A—H11A	0.9500
N303—C307	1.34 (2)	C5A—C6A	1.396 (14)
N303—C306	1.321 (18)	C5A—C13A	1.522 (18)
N308—C326	1.298 (18)	C6A—H6A	0.9500
N308—C324	1.311 (18)	C337—H337	0.9500
N307—C323	1.366 (19)	C13A—H13A	0.9900
N307—C319	1.38 (2)	C13A—H13B	0.9900
N307—Zn33	2.048 (14)	C347—H347	0.9500
N307—Zn53	2.16 (9)	C347—C346	1.42 (3)
N317—C348	1.28 (2)	C15A—H15A	0.9800
N317—C347	1.26 (3)	C15A—H15B	0.9800
N317—Zn36^v	2.093 (15)	C15A—H15C	0.9800
N317—Zn46^v	1.98 (2)	C346—H346	0.9500
N306—C314	1.32 (2)	C14A—H14A	0.9800
N306—C318	1.30 (2)	C14A—H14B	0.9800
N306—Zn33	2.068 (14)	C14A—H14C	0.9800
N306—Zn53	2.47 (9)	I309—Zn35	2.537 (5)
N315—C343	1.297 (19)	Zn35—I310	2.535 (5)
N315—C342	1.37 (2)	I304—Zn32	2.491 (6)
N314—C344	1.322 (18)	Zn32—I303	2.569 (5)
N314—C342	1.313 (19)	I305—Zn33	2.570 (8)
C362—C370	1.480 (17)	Zn33—I306	2.492 (11)
C344—C352	1.503 (18)	I407—Zn44	2.509 (12)
C370—C369	1.34 (2)	Zn44—I408	2.533 (14)
C370—C371	1.383 (19)	I311—Zn36	2.553 (10)
C307—C309	1.50 (2)	Zn36—I312	2.501 (9)
C352—C353	1.34 (2)	I301—Zn31	2.535 (5)
C352—C351	1.40 (2)	Zn31—I302	2.525 (4)
O2A—C8A	1.38 (2)	I411—Zn46	2.49 (3)
O2A—C14A	1.416 (18)	Zn46—I412	2.57 (3)
C361—C363	1.503 (17)	I510—Zn55	2.528 (18)
C316—C308	1.48 (2)	I509—Zn55	2.552 (18)
C316—C317	1.34 (2)	I505—Zn53	2.45 (5)
C316—C315	1.34 (2)	Zn53—I506	2.45 (5)
C357—C356	1.351 (19)	C4B—C3B	1.3900
C357—C358	1.387 (19)	C4B—C5B	1.3900
C343—C345	1.43 (2)	C4B—C7B	1.50 (2)
C353—H353	0.9500	C3B—H3B	0.9500
C353—C354	1.37 (2)	C3B—C2B	1.3900
C345—C349	1.32 (2)	C2B—H2B	0.9500
C345—C346	1.36 (3)	C2B—C1B	1.3900
C312—H312	0.9500	C1B—H1B	0.9500
C312—C313	1.42 (2)	C1B—C6B	1.3900
C363—C364	1.382 (19)	C6B—H6B	0.9500
C363—C367	1.380 (19)	C6B—C5B	1.3900
O3A—C12A	1.38 (2)	C5B—C13B	1.504 (17)
O3A—C15A	1.424 (17)	C9B—H9B	0.9500
C309—C313	1.33 (2)	C9B—C8B	1.392 (19)
C309—C310	1.39 (2)	C9B—C10B	1.381 (19)
C334—C326	1.506 (19)	O3B—C12B	1.36 (2)
C334—C333	1.36 (2)	O3B—C15B	1.43 (2)
C334—C335	1.34 (2)	C11B—H11B	0.9500
C303—C306	1.47 (2)	C11B—C12B	1.390 (19)
C303—C304	1.37 (2)	C11B—C10B	1.391 (19)
C303—C302	1.36 (2)	C7B—C12B	1.383 (18)
C369—H369	0.9500	C7B—C8B	1.395 (18)
C369—C368	1.386 (19)	O2B—C8B	1.38 (2)
C364—H364	0.9500	O2B—C14B	1.44 (2)
C364—C365	1.381 (18)	C10B—H10B	0.9500
C314—H314	0.9500	C803—H80A	0.9900
C314—C315	1.40 (2)	C803—H80B	0.9900
C328—H328	0.9500	C803—C804	1.543 (13)
C328—C327	1.36 (2)	C803—C802	1.542 (13)
C328—C329	1.39 (2)	C804—H80C	0.9900
C368—H368	0.9500	C804—H80D	0.9900
C324—C321	1.56 (2)	C804—C805	1.538 (13)
C313—H313	0.9500	C805—H80E	0.9900
C365—H365	0.9500	C805—H80F	0.9900
C339—C342	1.45 (2)	C805—C806	1.535 (13)
C339—C340	1.37 (2)	C806—H80G	0.9900
C339—C338	1.41 (2)	C806—H80H	0.9900
C325—C327	1.485 (18)	C806—C801	1.537 (13)
O1A—H1A	0.8400	C801—H80I	0.9900
O1A—C13A	1.423 (17)	C801—H80J	0.9900
C354—H354	0.9500	C801—C802	1.541 (13)
C356—H356	0.9500	C802—H80K	0.9900
C356—C355	1.388 (19)	C802—H80L	0.9900
C366—H366	0.9500	C14B—H14D	0.9800
C366—C367	1.37 (2)	C14B—H14E	0.9800
C358—H358	0.9500	C14B—H14F	0.9800
C358—C359	1.39 (2)	C15B—H15D	0.9800
N313—C341	1.34 (3)	C15B—H15E	0.9800
N313—C337	1.33 (3)	C15B—H15F	0.9800
N313—Zn44	2.040 (18)	O1B—H1BA	0.8400
C359—H359	0.9500	O1B—C13B	1.42 (2)
C321—C320	1.32 (2)	C13B—H13C	0.9900
C321—C322	1.37 (2)	C13B—H13D	0.9900
I410—Zn45—I409	125.1 (6)	C350—C351—H351	121.3
N319—Zn45—I410	102.4 (7)	C334—C333—H333	120.7
N319—Zn45—I409	108.9 (7)	C334—C333—C332	118.5 (15)
N319—Zn45—N318	98.9 (6)	C332—C333—H333	120.7
N318—Zn45—I410	110.8 (7)	N312—C332—C333	121.0 (15)
N318—Zn45—I409	107.5 (7)	N312—C332—H332	119.5
I405—Zn43—I406	123.5 (4)	C333—C332—H332	119.5
N307—Zn43—I405	105.0 (5)	C327—C331—H331	122.2
N307—Zn43—I406	106.7 (6)	C330—C331—C327	115.6 (15)
N307—Zn43—N306	103.6 (6)	C330—C331—H331	122.2
N306—Zn43—I405	111.1 (6)	C334—C335—C336	121.4 (16)
N306—Zn43—I406	105.1 (6)	C334—C335—H335	119.3
I404—Zn42—I403	125.2 (7)	C336—C335—H335	119.3
N311^i—Zn42—I404	101.9 (8)	N307—C323—H323	117.8
N311^i—Zn42—I403	107.1 (8)	N307—C323—C322	124.4 (15)
N305—Zn42—I404	114.8 (10)	C322—C323—H323	117.8
N305—Zn42—I403	106.8 (9)	C303—C304—C305	116.6 (17)
N305—Zn42—N311^i	96.8 (8)	C303—C304—H304	121.7
I402—Zn41—I401	118.6 (6)	C305—C304—H304	121.7
N323^ii—Zn41—I401	106.4 (7)	C321—C322—C323	115.8 (15)
N323^ii—Zn41—I402	109.3 (7)	C321—C322—H322	122.1
N323^ii—Zn41—N301	103.4 (7)	C323—C322—H322	122.1
N301—Zn41—I401	113.1 (7)	N306—C318—C317	120.5 (18)
N301—Zn41—I402	105.0 (7)	N306—C318—H318	119.7
I307—Zn34—I308	122.2 (2)	C317—C318—H318	119.7
N312—Zn34—I307	109.9 (5)	N324—C372—H372	119.0
N312—Zn34—I308	106.6 (5)	C371—C372—N324	121.9 (16)
N313—Zn34—I307	104.1 (6)	C371—C372—H372	119.0
N313—Zn34—I308	110.9 (7)	C303—C302—H302	119.9
N313—Zn34—N312	101.2 (7)	C301—C302—C303	120.1 (18)
C360—N320—C362	115.8 (10)	C301—C302—H302	119.9
C307—N304—C308	113.9 (14)	N318—C350—C351	123.3 (16)
C344—N316—C343	113.1 (12)	N318—C350—H350	118.3
C360—N321—C361	112.7 (10)	C351—C350—H350	118.3
C361—N322—C362	116.1 (11)	N307—C319—H319	118.4
C308—N302—C306	116.3 (13)	C320—C319—N307	123.3 (15)
C359—N319—Zn45	117.3 (10)	C320—C319—H319	118.4
C359—N319—C355	118.4 (11)	C339—C340—H340	120.4
C359—N319—Zn35	120.1 (9)	C341—C340—C339	119.3 (19)
C359—N319—Zn55	123.7 (12)	C341—C340—H340	120.4
C355—N319—Zn45	124.3 (9)	C8A—C7A—C4A	121.8 (15)
C355—N319—Zn35	121.5 (9)	C8A—C7A—C12A	118.2 (13)
C355—N319—Zn55	116.1 (11)	C12A—C7A—C4A	120.0 (15)
C326—N310—C325	114.4 (12)	C4A—C3A—H3A	120.2
C354—N318—Zn45	123.3 (13)	C4A—C3A—C2A	119.5 (11)
C354—N318—Zn35	121.9 (12)	C2A—C3A—H3A	120.2
C354—N318—Zn55	110.0 (13)	N311—C330—C331	127.3 (16)
C350—N318—Zn45	117.4 (11)	N311—C330—H330	116.4
C350—N318—C354	119.1 (14)	C331—C330—H330	116.4
C350—N318—Zn35	118.9 (11)	O2A—C8A—C7A	116.4 (15)
C350—N318—Zn55	130.9 (12)	O2A—C8A—C9A	123.3 (17)
C336—N312—Zn34	114.3 (12)	C7A—C8A—C9A	120.3 (14)
C336—N312—Zn44	129.8 (13)	C8A—C9A—H9A	119.5
C332—N312—Zn34	125.2 (12)	C10A—C9A—C8A	121.0 (18)
C332—N312—C336	120.5 (15)	C10A—C9A—H9A	119.5
C332—N312—Zn44	109.4 (12)	C3A—C4A—C7A	117.7 (14)
C329—N311—Zn42^iii	125.9 (11)	C3A—C4A—C5A	120.8 (11)
C329—N311—C330	114.8 (13)	C5A—C4A—C7A	121.3 (14)
C329—N311—Zn32^iii	123.4 (10)	N317—C348—C349	121 (2)
C330—N311—Zn42^iii	118.5 (12)	N317—C348—H348	119.4
C330—N311—Zn32^iii	121.2 (11)	C349—C348—H348	119.4
C324—N309—C325	114.8 (12)	N305—C311—H311	117.5
Zn41^iv—N323—Zn31^iv	1.4 (4)	N305—C311—C310	125 (2)
C365—N323—Zn41^iv	119.5 (12)	C310—C311—H311	117.5
C365—N323—Zn31^iv	120.8 (11)	C2A—C1A—H1AA	119.9
C366—N323—Zn41^iv	120.1 (12)	C6A—C1A—H1AA	119.9
C366—N323—C365	120.3 (13)	C6A—C1A—C2A	120.2 (12)
C366—N323—Zn31^iv	118.8 (11)	C339—C338—H338	119.1
C305—N301—Zn41	117.7 (14)	C337—C338—C339	121.8 (19)
C305—N301—C301	116.2 (18)	C337—C338—H338	119.1
C305—N301—Zn31	120.2 (14)	C309—C310—C311	116 (2)
C301—N301—Zn41	126.1 (13)	C309—C310—H310	121.8
C301—N301—Zn31	123.5 (13)	C311—C310—H310	121.8
N320—C360—N321	126.1 (11)	C3A—C2A—H2A	119.9
N320—C360—C357	117.2 (11)	C1A—C2A—C3A	120.1 (12)
N321—C360—C357	116.6 (11)	C1A—C2A—H2A	119.9
C312—N305—Zn42	119.5 (16)	C9A—C10A—H10A	120.4
C312—N305—Zn32	122.9 (15)	C11A—C10A—C9A	119 (2)
C311—N305—Zn42	122.7 (16)	C11A—C10A—H10A	120.4
C311—N305—C312	117.5 (17)	O3A—C12A—C7A	115.7 (14)
C311—N305—Zn32	118.9 (15)	C11A—C12A—O3A	123.3 (16)
C368—N324—C372	116.2 (13)	C11A—C12A—C7A	121.0 (16)
C368—N324—Zn36	124.1 (11)	C10A—C11A—C12A	120.2 (19)
C368—N324—Zn46	128.8 (12)	C10A—C11A—H11A	119.9
C372—N324—Zn36	119.3 (11)	C12A—C11A—H11A	119.9
C372—N324—Zn46	114.4 (12)	C4A—C5A—C6A	118.5 (11)
C306—N303—C307	113.8 (14)	C4A—C5A—C13A	119.8 (14)
C326—N308—C324	114.7 (13)	C6A—C5A—C13A	121.6 (15)
C323—N307—Zn43	122.4 (11)	C1A—C6A—C5A	120.7 (12)
C323—N307—C319	114.2 (13)	C1A—C6A—H6A	119.7
C323—N307—Zn33	121.3 (11)	C5A—C6A—H6A	119.7
C323—N307—Zn53	110.8 (17)	N313—C337—C338	122 (2)
C319—N307—Zn43	123.3 (11)	N313—C337—H337	119.0
C319—N307—Zn33	124.4 (11)	C338—C337—H337	119.0
C319—N307—Zn53	130 (2)	O1A—C13A—C5A	113.8 (18)
C348—N317—Zn36^v	124.1 (14)	O1A—C13A—H13A	108.8
C348—N317—Zn46^v	117.4 (16)	O1A—C13A—H13B	108.8
C347—N317—C348	116.5 (16)	C5A—C13A—H13A	108.8
C347—N317—Zn36^v	118.8 (13)	C5A—C13A—H13B	108.8
C347—N317—Zn46^v	126.0 (15)	H13A—C13A—H13B	107.7
C314—N306—Zn43	118.8 (11)	N317—C347—H347	117.3
C314—N306—Zn33	120.2 (11)	N317—C347—C346	125 (2)
C314—N306—Zn53	135.7 (14)	C346—C347—H347	117.3
C318—N306—Zn43	121.2 (13)	O3A—C15A—H15A	109.5
C318—N306—C314	119.8 (15)	O3A—C15A—H15B	109.5
C318—N306—Zn33	119.9 (13)	O3A—C15A—H15C	109.5
C318—N306—Zn53	104.4 (15)	H15A—C15A—H15B	109.5
C343—N315—C342	116.3 (13)	H15A—C15A—H15C	109.5
C342—N314—C344	115.6 (13)	H15B—C15A—H15C	109.5
N320—C362—N322	123.3 (11)	C345—C346—C347	118 (2)
N320—C362—C370	117.8 (10)	C345—C346—H346	121.2
N322—C362—C370	118.9 (11)	C347—C346—H346	121.2
N316—C344—C352	114.6 (13)	O2A—C14A—H14A	109.5
N314—C344—N316	126.3 (13)	O2A—C14A—H14B	109.5
N314—C344—C352	119.1 (12)	O2A—C14A—H14C	109.5
C369—C370—C362	120.9 (12)	H14A—C14A—H14B	109.5
C369—C370—C371	118.8 (14)	H14A—C14A—H14C	109.5
C371—C370—C362	120.2 (13)	H14B—C14A—H14C	109.5
N304—C307—N303	126.3 (13)	N319—Zn35—I309	107.7 (4)
N304—C307—C309	115.6 (16)	N319—Zn35—I310	104.8 (4)
N303—C307—C309	117.8 (14)	N318—Zn35—N319	100.8 (5)
C353—C352—C344	122.9 (12)	N318—Zn35—I309	106.7 (5)
C353—C352—C351	118.5 (14)	N318—Zn35—I310	108.7 (4)
C351—C352—C344	118.6 (14)	I310—Zn35—I309	125.5 (2)
C8A—O2A—C14A	119 (2)	N311^i—Zn32—N305	99.3 (6)
N321—C361—C363	116.7 (11)	N311^i—Zn32—I304	107.8 (5)
N322—C361—N321	125.4 (11)	N311^i—Zn32—I303	106.9 (5)
N322—C361—C363	117.9 (12)	N305—Zn32—I304	106.7 (6)
C317—C316—C308	121.5 (13)	N305—Zn32—I303	103.7 (6)
C315—C316—C308	118.4 (16)	I304—Zn32—I303	128.7 (2)
C315—C316—C317	120.0 (16)	N307—Zn33—N306	102.3 (6)
C356—C357—C360	121.8 (12)	N307—Zn33—I305	106.2 (5)
C356—C357—C358	117.9 (12)	N307—Zn33—I306	103.9 (6)
C358—C357—C360	120.1 (12)	N306—Zn33—I305	106.1 (6)
N316—C343—C345	118.1 (14)	N306—Zn33—I306	108.4 (6)
N315—C343—N316	125.1 (13)	I306—Zn33—I305	127.3 (4)
N315—C343—C345	116.6 (13)	N312—Zn44—I407	116.3 (7)
C352—C353—H353	119.0	N312—Zn44—I408	100.4 (6)
C352—C353—C354	122.0 (15)	N313—Zn44—N312	102.2 (7)
C354—C353—H353	119.0	N313—Zn44—I407	116.4 (9)
C349—C345—C343	121.6 (15)	N313—Zn44—I408	97.9 (8)
C349—C345—C346	115.1 (16)	I407—Zn44—I408	120.3 (5)
C346—C345—C343	123.2 (17)	N324—Zn36—N317^vi	103.0 (6)
N305—C312—H312	119.0	N324—Zn36—I311	108.9 (5)
N305—C312—C313	122.1 (19)	N324—Zn36—I312	106.9 (6)
C313—C312—H312	119.0	N317^vi—Zn36—I311	108.2 (5)
N304—C308—C316	116.4 (15)	N317^vi—Zn36—I312	105.3 (6)
N302—C308—N304	123.9 (13)	I312—Zn36—I311	122.7 (3)
N302—C308—C316	119.4 (13)	N323^ii—Zn31—I301	107.4 (5)
C364—C363—C361	122.1 (12)	N323^ii—Zn31—I302	109.5 (5)
C367—C363—C361	120.0 (12)	N301—Zn31—N323^ii	101.4 (6)
C367—C363—C364	117.7 (12)	N301—Zn31—I301	107.5 (5)
C12A—O3A—C15A	116.6 (19)	N301—Zn31—I302	107.3 (4)
C313—C309—C307	122.7 (15)	I302—Zn31—I301	121.9 (2)
C313—C309—C310	119.5 (16)	N324—Zn46—I411	100.7 (9)
C310—C309—C307	117.8 (18)	N324—Zn46—I412	104.9 (11)
C333—C334—C326	119.4 (13)	N317^vi—Zn46—N324	97.5 (9)
C335—C334—C326	123.2 (13)	N317^vi—Zn46—I411	103.5 (12)
C335—C334—C333	117.3 (14)	N317^vi—Zn46—I412	112.8 (11)
C304—C303—C306	120.7 (15)	I411—Zn46—I412	131.6 (10)
C302—C303—C306	121.6 (15)	N319—Zn55—N318	93.4 (15)
C302—C303—C304	117.7 (17)	N319—Zn55—I510	116.8 (13)
N310—C326—C334	112.8 (12)	N319—Zn55—I509	98.2 (10)
N308—C326—N310	124.6 (13)	N318—Zn55—I510	113.6 (13)
N308—C326—C334	122.6 (13)	N318—Zn55—I509	109.8 (12)
C370—C369—H369	120.3	I510—Zn55—I509	120.8 (16)
C370—C369—C368	119.4 (15)	N307—Zn53—N306	87 (3)
C368—C369—H369	120.3	N307—Zn53—I505	94 (2)
C363—C364—H364	120.4	N307—Zn53—I506	123 (3)
C365—C364—C363	119.2 (13)	I505—Zn53—N306	98 (2)
C365—C364—H364	120.4	I506—Zn53—N306	111 (3)
N306—C314—H314	118.9	I506—Zn53—I505	132 (4)
N306—C314—C315	122.2 (16)	C3B—C4B—C5B	120.0
C315—C314—H314	118.9	C3B—C4B—C7B	120.4 (15)
C327—C328—H328	120.8	C5B—C4B—C7B	118.6 (15)
C327—C328—C329	118.4 (15)	C4B—C3B—H3B	120.0
C329—C328—H328	120.8	C4B—C3B—C2B	120.0
N324—C368—C369	124.0 (15)	C2B—C3B—H3B	120.0
N324—C368—H368	118.0	C3B—C2B—H2B	120.0
C369—C368—H368	118.0	C3B—C2B—C1B	120.0
N309—C324—N308	127.4 (14)	C1B—C2B—H2B	120.0
N309—C324—C321	115.4 (12)	C2B—C1B—H1B	120.0
N308—C324—C321	117.2 (13)	C6B—C1B—C2B	120.0
C312—C313—H313	120.3	C6B—C1B—H1B	120.0
C309—C313—C312	119.3 (17)	C1B—C6B—H6B	120.0
C309—C313—H313	120.3	C1B—C6B—C5B	120.0
N323—C365—C364	121.0 (14)	C5B—C6B—H6B	120.0
N323—C365—H365	119.5	C4B—C5B—C13B	118.1 (19)
C364—C365—H365	119.5	C6B—C5B—C4B	120.0
C340—C339—C342	123.2 (17)	C6B—C5B—C13B	121.9 (19)
C340—C339—C338	115.4 (17)	C8B—C9B—H9B	119.5
C338—C339—C342	121.1 (15)	C10B—C9B—H9B	119.5
N310—C325—C327	117.7 (13)	C10B—C9B—C8B	121 (2)
N309—C325—N310	123.4 (12)	C12B—O3B—C15B	119 (4)
N309—C325—C327	118.9 (13)	C12B—C11B—H11B	120.4
C13A—O1A—H1A	109.5	C12B—C11B—C10B	119 (2)
N318—C354—C353	119.5 (16)	C10B—C11B—H11B	120.4
N318—C354—H354	120.3	C12B—C7B—C4B	121 (2)
C353—C354—H354	120.3	C12B—C7B—C8B	120 (2)
C357—C356—H356	119.3	C8B—C7B—C4B	118.0 (19)
C357—C356—C355	121.4 (12)	C8B—O2B—C14B	116 (3)
C355—C356—H356	119.3	O3B—C12B—C11B	121 (3)
N323—C366—H366	118.6	O3B—C12B—C7B	118 (3)
N323—C366—C367	122.8 (14)	C7B—C12B—C11B	121 (2)
C367—C366—H366	118.6	C9B—C8B—C7B	119 (2)
C357—C358—H358	120.3	O2B—C8B—C9B	127 (3)
C357—C358—C359	119.5 (13)	O2B—C8B—C7B	114 (3)
C359—C358—H358	120.3	C9B—C10B—C11B	120 (2)
C341—N313—Zn34	126.9 (15)	C9B—C10B—H10B	120.0
C341—N313—Zn44	113.2 (16)	C11B—C10B—H10B	120.0
C337—N313—Zn34	116.9 (17)	H80A—C803—H80B	108.4
C337—N313—C341	116.2 (18)	C804—C803—H80A	110.0
C337—N313—Zn44	130.2 (17)	C804—C803—H80B	110.0
N319—C359—C358	121.9 (14)	C802—C803—H80A	110.0
N319—C359—H359	119.1	C802—C803—H80B	110.0
C358—C359—H359	119.1	C802—C803—C804	108 (2)
C320—C321—C324	120.1 (13)	C803—C804—H80C	109.5
C320—C321—C322	122.4 (15)	C803—C804—H80D	109.5
C322—C321—C324	117.4 (14)	H80C—C804—H80D	108.1
N315—C342—C339	119.0 (15)	C805—C804—C803	110.7 (18)
N314—C342—N315	123.4 (15)	C805—C804—H80C	109.5
N314—C342—C339	117.6 (15)	C805—C804—H80D	109.5
C328—C327—C325	122.0 (14)	C804—C805—H80E	109.1
C328—C327—C331	119.9 (13)	C804—C805—H80F	109.1
C331—C327—C325	118.0 (13)	H80E—C805—H80F	107.9
N302—C306—C303	117.2 (13)	C806—C805—C804	112.3 (19)
N303—C306—N302	125.6 (16)	C806—C805—H80E	109.1
N303—C306—C303	117.1 (14)	C806—C805—H80F	109.1
C316—C317—H317	120.6	C805—C806—H80G	109.4
C316—C317—C318	118.9 (16)	C805—C806—H80H	109.4
C318—C317—H317	120.6	C805—C806—C801	111.1 (19)
C363—C367—H367	120.6	H80G—C806—H80H	108.0
C366—C367—C363	118.8 (14)	C801—C806—H80G	109.4
C366—C367—H367	120.6	C801—C806—H80H	109.4
C370—C371—H371	120.3	C806—C801—H80I	109.6
C372—C371—C370	119.4 (15)	C806—C801—H80J	109.6
C372—C371—H371	120.3	C806—C801—C802	110.4 (18)
C316—C315—C314	118.3 (18)	H80I—C801—H80J	108.1
C316—C315—H315	120.8	C802—C801—H80I	109.6
C314—C315—H315	120.8	C802—C801—H80J	109.6
N313—C341—H341	117.5	C803—C802—H80K	109.7
N313—C341—C340	125.0 (18)	C803—C802—H80L	109.7
C340—C341—H341	117.5	C801—C802—C803	109.8 (18)
N311—C329—C328	123.9 (15)	C801—C802—H80K	109.7
N311—C329—H329	118.1	C801—C802—H80L	109.7
C328—C329—H329	118.1	H80K—C802—H80L	108.2
N312—C336—H336	119.5	O2B—C14B—H14D	109.5
N312—C336—C335	121.1 (17)	O2B—C14B—H14E	109.5
C335—C336—H336	119.5	O2B—C14B—H14F	109.5
N319—C355—C356	120.9 (12)	H14D—C14B—H14E	109.5
N319—C355—H355	119.6	H14D—C14B—H14F	109.5
C356—C355—H355	119.6	H14E—C14B—H14F	109.5
C321—C320—H320	120.1	O3B—C15B—H15D	109.5
C321—C320—C319	119.7 (15)	O3B—C15B—H15E	109.5
C319—C320—H320	120.1	O3B—C15B—H15F	109.5
N301—C305—H305	117.4	H15D—C15B—H15E	109.5
N301—C305—C304	125.2 (18)	H15D—C15B—H15F	109.5
C304—C305—H305	117.4	H15E—C15B—H15F	109.5
N301—C301—H301	117.9	C13B—O1B—H1BA	109.5
N301—C301—C302	124.2 (18)	C5B—C13B—H13C	109.3
C302—C301—H301	117.9	C5B—C13B—H13D	109.3
C345—C349—H349	118.7	O1B—C13B—C5B	111 (3)
C345—C349—C348	122.5 (17)	O1B—C13B—H13C	109.4
C348—C349—H349	118.7	O1B—C13B—H13D	109.3
C352—C351—H351	121.3	H13C—C13B—H13D	108.0
C350—C351—C352	117.4 (17)
Zn45—N319—C359—C358	177.1 (17)	C306—C303—C302—C301	177.8 (17)
Zn45—N319—C355—C356	−175.5 (15)	C317—C316—C308—N304	0 (2)
Zn45—N318—C354—C353	−170.5 (11)	C317—C316—C308—N302	−174.2 (14)
Zn45—N318—C350—C351	170.7 (17)	C317—C316—C315—C314	5 (2)
Zn43—N307—C323—C322	−175.7 (17)	C367—C363—C364—C365	3 (2)
Zn43—N307—C319—C320	172.1 (16)	C371—C370—C369—C368	−2 (3)
Zn43—N306—C314—C315	170.7 (12)	C315—C316—C308—N304	−176.6 (12)
Zn43—N306—C318—C317	−170.6 (15)	C315—C316—C308—N302	9.1 (19)
Zn42^iii—N311—C329—C328	−172.2 (15)	C315—C316—C317—C318	−5 (3)
Zn42^iii—N311—C330—C331	171 (2)	C341—N313—C337—C338	5 (4)
Zn42—N305—C312—C313	−175.3 (12)	C329—N311—C330—C331	1 (4)
Zn42—N305—C311—C310	174 (2)	C329—C328—C327—C325	179.0 (17)
Zn41^iv—N323—C365—C364	−178.1 (13)	C329—C328—C327—C331	−3 (3)
Zn41^iv—N323—C366—C367	179.2 (15)	C336—N312—C332—C333	5 (3)
Zn41—N301—C305—C304	−176.7 (19)	C355—N319—C359—C358	0 (3)
Zn41—N301—C301—C302	175.8 (16)	C320—C321—C322—C323	−3 (3)
Zn34—N312—C336—C335	179.4 (17)	C305—N301—C301—C302	−2 (3)
Zn34—N312—C332—C333	−177.6 (14)	C301—N301—C305—C304	1 (3)
Zn34—N313—C341—C340	171.3 (19)	C349—C345—C346—C347	10 (4)
Zn34—N313—C337—C338	−172 (2)	C351—C352—C353—C354	−3 (2)
N320—C360—C357—C356	179.1 (15)	C333—C334—C326—N310	−171.6 (16)
N320—C360—C357—C358	4 (2)	C333—C334—C326—N308	10 (3)
N320—C362—C370—C369	−9 (2)	C333—C334—C335—C336	0 (3)
N320—C362—C370—C371	175.1 (15)	C332—N312—C336—C335	−3 (3)
N304—C307—C309—C313	0 (2)	C335—C334—C326—N310	5 (3)
N304—C307—C309—C310	177.8 (16)	C335—C334—C326—N308	−173.2 (19)
N316—C344—C352—C353	−8.1 (19)	C335—C334—C333—C332	2 (3)
N316—C344—C352—C351	170.1 (14)	C323—N307—C319—C320	−4 (3)
N316—C343—C345—C349	−19 (3)	C304—C303—C306—N302	19 (2)
N316—C343—C345—C346	163 (2)	C304—C303—C306—N303	−159.3 (17)
N321—C360—C357—C356	−3 (2)	C304—C303—C302—C301	−1 (3)
N321—C360—C357—C358	−178.4 (15)	C322—C321—C320—C319	0 (3)
N321—C361—C363—C364	−7 (2)	C318—N306—C314—C315	−4 (3)
N321—C361—C363—C367	167.7 (15)	C372—N324—C368—C369	−1 (3)
N322—C362—C370—C369	169.5 (15)	C302—C303—C306—N302	−159.1 (16)
N322—C362—C370—C371	−6 (2)	C302—C303—C306—N303	22 (2)
N322—C361—C363—C364	171.5 (15)	C302—C303—C304—C305	0 (3)
N322—C361—C363—C367	−14 (2)	C350—N318—C354—C353	4 (2)
N310—C325—C327—C328	179.5 (17)	C319—N307—C323—C322	1 (3)
N310—C325—C327—C331	2 (3)	C340—C339—C342—N315	−159.4 (19)
N312—C336—C335—C334	0 (3)	C340—C339—C342—N314	21 (3)
N309—C324—C321—C320	1 (3)	C340—C339—C338—C337	−3 (4)
N309—C324—C321—C322	−178.9 (18)	C7A—C8A—C9A—C10A	2 (4)
N309—C325—C327—C328	2 (3)	C7A—C4A—C5A—C6A	−178.5 (19)
N309—C325—C327—C331	−176.4 (19)	C7A—C4A—C5A—C13A	0 (2)
N323—C366—C367—C363	3 (3)	C7A—C12A—C11A—C10A	−2 (3)
N301—C305—C304—C303	0 (4)	C3A—C4A—C5A—C6A	−4 (3)
N301—C301—C302—C303	2 (3)	C3A—C4A—C5A—C13A	175 (2)
C360—N320—C362—N322	2 (2)	C330—N311—C329—C328	−3 (3)
C360—N320—C362—C370	−179.5 (13)	C8A—C7A—C4A—C3A	−104 (2)
C360—N321—C361—N322	10 (2)	C8A—C7A—C4A—C5A	70 (3)
C360—N321—C361—C363	−172.4 (13)	C8A—C7A—C12A—O3A	−179.2 (19)
C360—C357—C356—C355	−177.1 (16)	C8A—C7A—C12A—C11A	2 (3)
C360—C357—C358—C359	178.6 (17)	C8A—C9A—C10A—C11A	−2 (4)
N305—C312—C313—C309	3 (2)	C9A—C10A—C11A—C12A	2 (4)
N305—C311—C310—C309	−1 (4)	C4A—C7A—C8A—O2A	−1 (3)
N303—C307—C309—C313	173.4 (14)	C4A—C7A—C8A—C9A	178 (2)
N303—C307—C309—C310	−8 (2)	C4A—C7A—C12A—O3A	1 (3)
N308—C324—C321—C320	−177.8 (19)	C4A—C7A—C12A—C11A	−177.5 (19)
N308—C324—C321—C322	3 (3)	C4A—C3A—C2A—C1A	1 (3)
N307—C323—C322—C321	3 (4)	C4A—C5A—C6A—C1A	4 (3)
N317—C347—C346—C345	−14 (5)	C4A—C5A—C13A—O1A	156 (2)
N306—C314—C315—C316	0 (2)	C348—N317—C347—C346	13 (4)
N315—C343—C345—C349	165.4 (17)	C311—N305—C312—C313	−1 (3)
N315—C343—C345—C346	−13 (3)	C338—C339—C342—N315	15 (3)
N314—C344—C352—C353	171.4 (13)	C338—C339—C342—N314	−164.6 (19)
N314—C344—C352—C351	−10 (2)	C338—C339—C340—C341	3 (3)
C362—N320—C360—N321	2 (2)	C310—C309—C313—C312	−5 (2)
C362—N320—C360—C357	179.9 (12)	C2A—C3A—C4A—C7A	176.5 (18)
C362—N322—C361—N321	−6 (2)	C2A—C3A—C4A—C5A	1 (3)
C362—N322—C361—C363	175.9 (13)	C2A—C1A—C6A—C5A	−1 (3)
C362—C370—C369—C368	−177.5 (14)	C12A—C7A—C8A—O2A	179.5 (19)
C362—C370—C371—C372	−179.1 (18)	C12A—C7A—C8A—C9A	−2 (3)
C344—N316—C343—N315	0 (2)	C12A—C7A—C4A—C3A	75 (3)
C344—N316—C343—C345	−174.7 (14)	C12A—C7A—C4A—C5A	−110 (2)
C344—N314—C342—N315	2 (2)	C6A—C1A—C2A—C3A	−1 (3)
C344—N314—C342—C339	−179.1 (14)	C6A—C5A—C13A—O1A	−26 (3)
C344—C352—C353—C354	175.6 (13)	C337—N313—C341—C340	−5 (4)
C344—C352—C351—C350	−175.7 (16)	C13A—C5A—C6A—C1A	−175 (2)
C370—C369—C368—N324	0 (3)	C347—N317—C348—C349	−8 (3)
C370—C371—C372—N324	−7 (3)	C15A—O3A—C12A—C7A	172 (2)
C307—N304—C308—N302	−3.0 (18)	C15A—O3A—C12A—C11A	−9 (3)
C307—N304—C308—C316	−176.9 (11)	C346—C345—C349—C348	−7 (3)
C307—N303—C306—N302	3 (2)	C14A—O2A—C8A—C7A	179 (3)
C307—N303—C306—C303	−178.8 (12)	C14A—O2A—C8A—C9A	0 (4)
C307—C309—C313—C312	173.2 (13)	Zn35—N319—C359—C358	177.2 (16)
C307—C309—C310—C311	−174 (2)	Zn35—N319—C355—C356	−175.7 (14)
C352—C353—C354—N318	−1 (2)	Zn35—N318—C354—C353	−171.1 (10)
C352—C351—C350—N318	1 (3)	Zn35—N318—C350—C351	171.1 (16)
O2A—C8A—C9A—C10A	−180 (2)	Zn32^iii—N311—C329—C328	−174.8 (15)
C361—N321—C360—N320	−7 (2)	Zn32^iii—N311—C330—C331	173 (2)
C361—N321—C360—C357	174.9 (12)	Zn32—N305—C312—C313	−171.2 (11)
C361—N322—C362—N320	0 (2)	Zn32—N305—C311—C310	171 (2)
C361—N322—C362—C370	−178.7 (13)	Zn33—N307—C323—C322	−174.7 (18)
C361—C363—C364—C365	177.1 (15)	Zn33—N307—C319—C320	171.0 (16)
C361—C363—C367—C366	−176.1 (16)	Zn33—N306—C314—C315	172.3 (12)
C316—C317—C318—N306	0 (3)	Zn33—N306—C318—C317	−172.3 (15)
C357—C356—C355—N319	−1 (3)	Zn44—N312—C336—C335	−175.8 (16)
C357—C358—C359—N319	−2 (3)	Zn44—N312—C332—C333	179.2 (16)
C343—N316—C344—N314	−4 (2)	Zn44—N313—C341—C340	−178 (2)
C343—N316—C344—C352	175.7 (12)	Zn44—N313—C337—C338	177 (2)
C343—N315—C342—N314	−5 (3)	Zn36—N324—C368—C369	−173.2 (13)
C343—N315—C342—C339	176.2 (15)	Zn36—N324—C372—C371	177.0 (16)
C343—C345—C349—C348	175.0 (18)	Zn36^v—N317—C348—C349	−179.4 (15)
C343—C345—C346—C347	−172 (2)	Zn36^v—N317—C347—C346	−176 (3)
C353—C352—C351—C350	3 (2)	Zn31^iv—N323—C365—C364	−178.7 (13)
C345—C349—C348—N317	6 (3)	Zn31^iv—N323—C366—C367	179.7 (15)
C312—N305—C311—C310	0 (4)	Zn31—N301—C305—C304	−175.5 (19)
C308—N304—C307—N303	2.2 (19)	Zn31—N301—C301—C302	174.7 (15)
C308—N304—C307—C309	175.4 (11)	Zn46—N324—C368—C369	−171.8 (15)
C308—N302—C306—N303	−3 (2)	Zn46—N324—C372—C371	176.6 (18)
C308—N302—C306—C303	177.9 (12)	Zn46^v—N317—C348—C349	174.1 (16)
C308—C316—C317—C318	178.7 (16)	Zn46^v—N317—C347—C346	−170 (3)
C308—C316—C315—C314	−178.6 (13)	Zn55—N319—C359—C358	163.6 (17)
C363—C364—C365—N323	−5 (3)	Zn55—N319—C355—C356	−163.4 (17)
O3A—C12A—C11A—C10A	179 (2)	Zn55—N318—C354—C353	−172.7 (14)
C334—C333—C332—N312	−4 (3)	Zn55—N318—C350—C351	171.8 (18)
C326—N310—C325—N309	5 (2)	Zn53—N307—C323—C322	−156 (3)
C326—N310—C325—C327	−172.7 (15)	Zn53—N307—C319—C320	147 (3)
C326—N308—C324—N309	4 (3)	Zn53—N306—C314—C315	174 (3)
C326—N308—C324—C321	−178.1 (15)	Zn53—N306—C318—C317	−174 (3)
C326—C334—C333—C332	178.7 (17)	C4B—C3B—C2B—C1B	0.0
C326—C334—C335—C336	−176.6 (19)	C4B—C5B—C13B—O1B	152 (6)
C369—C370—C371—C372	5 (3)	C4B—C7B—C12B—O3B	−10 (4)
C364—C363—C367—C366	−1 (3)	C4B—C7B—C12B—C11B	170 (3)
C314—N306—C318—C317	4 (3)	C4B—C7B—C8B—C9B	−170 (3)
C328—C327—C331—C330	1 (3)	C4B—C7B—C8B—O2B	8 (4)
C368—N324—C372—C371	5 (3)	C3B—C4B—C5B—C6B	0.0
C324—N309—C325—N310	2 (2)	C3B—C4B—C5B—C13B	179 (2)
C324—N309—C325—C327	−179.8 (16)	C3B—C4B—C7B—C12B	89 (3)
C324—N308—C326—N310	5 (3)	C3B—C4B—C7B—C8B	−100 (3)
C324—N308—C326—C334	−176.6 (16)	C3B—C2B—C1B—C6B	0.0
C324—C321—C320—C319	−179.5 (18)	C2B—C1B—C6B—C5B	0.0
C324—C321—C322—C323	176.2 (18)	C1B—C6B—C5B—C4B	0.0
C313—C309—C310—C311	4 (3)	C1B—C6B—C5B—C13B	−179 (2)
C365—N323—C366—C367	−5 (3)	C6B—C5B—C13B—O1B	−29 (6)
C339—C338—C337—N313	−1 (4)	C5B—C4B—C3B—C2B	0.0
C325—N310—C326—N308	−9 (3)	C5B—C4B—C7B—C12B	−79 (3)
C325—N310—C326—C334	172.4 (14)	C5B—C4B—C7B—C8B	91 (3)
C325—N309—C324—N308	−7 (3)	C7B—C4B—C3B—C2B	−169 (3)
C325—N309—C324—C321	174.5 (15)	C7B—C4B—C5B—C6B	169 (3)
C325—C327—C331—C330	179 (2)	C7B—C4B—C5B—C13B	−12 (3)
C354—N318—C350—C351	−4 (3)	C12B—C11B—C10B—C9B	0 (2)
C356—C357—C358—C359	3 (3)	C12B—C7B—C8B—C9B	0 (2)
C366—N323—C365—C364	6 (3)	C12B—C7B—C8B—O2B	179 (2)
C358—C357—C356—C355	−2 (3)	C8B—C9B—C10B—C11B	0 (2)
N313—C341—C340—C339	1 (4)	C8B—C7B—C12B—O3B	−180 (3)
C359—N319—C355—C356	2 (3)	C8B—C7B—C12B—C11B	0 (2)
C321—C320—C319—N307	4 (3)	C10B—C9B—C8B—C7B	0 (2)
C342—N315—C343—N316	3 (2)	C10B—C9B—C8B—O2B	−178 (3)
C342—N315—C343—C345	178.5 (15)	C10B—C11B—C12B—O3B	180 (4)
C342—N314—C344—N316	3 (2)	C10B—C11B—C12B—C7B	0 (2)
C342—N314—C344—C352	−176.6 (13)	C803—C804—C805—C806	55 (5)
C342—C339—C340—C341	178 (2)	C804—C803—C802—C801	62 (4)
C342—C339—C338—C337	−178 (2)	C804—C805—C806—C801	−53 (5)
C327—C328—C329—N311	4 (3)	C805—C806—C801—C802	55 (4)
C327—C331—C330—N311	0 (4)	C806—C801—C802—C803	−60 (4)
C306—N302—C308—N304	3.6 (19)	C802—C803—C804—C805	−59 (4)
C306—N302—C308—C316	177.4 (12)	C14B—O2B—C8B—C9B	7 (9)
C306—N303—C307—N304	−2 (2)	C14B—O2B—C8B—C7B	−171 (8)
C306—N303—C307—C309	−175.1 (12)	C15B—O3B—C12B—C11B	−9 (7)
C306—C303—C304—C305	−178.4 (18)	C15B—O3B—C12B—C7B	170 (6)

Symmetry codes: (i) x+1/2, −y+1, z+1/2; (ii) x−1/2, −y+1, z+1/2; (iii) x−1/2, −y+1, z−1/2; (iv) x+1/2, −y+1, z−1/2; (v) x−1/2, −y, z−1/2; (vi) x+1/2, −y, z+1/2.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (50_10_24c)

Crystal data

C72H48I12N24Zn6·0.914(C15H16O3)·0.867(C6H12)	F(000) = 6497
Mr = 3460.47	Dx = 1.443 Mg m^−3
Monoclinic, P2/n	Cu Kα radiation, λ = 1.54184 Å
a = 31.5490 (9) Å	Cell parameters from 17374 reflections
b = 15.0248 (3) Å	θ = 2.9–70.8°
c = 34.3298 (10) Å	µ = 19.57 mm^−1
β = 101.853 (3)°	T = 100 K
V = 15925.9 (7) Å^3	Block, light yellow
Z = 4	0.19 × 0.08 × 0.06 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	28986 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	20769 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.061
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 1.7°
profile data from ω–scans	h = −38→38
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −17→18
Tmin = 0.060, Tmax = 0.433	l = −35→41
122860 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.124	H-atom parameters constrained
wR(F^2) = 0.342	w = 1/[σ^2(Fo^2) + (0.1243P)^2 + 318.4253P] where P = (Fo^2 + 2Fc^2)/3
S = 1.06	(Δ/σ)max = 0.002
28986 reflections	Δρmax = 1.32 e Å^−3
1608 parameters	Δρmin = −1.69 e Å^−3
739 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). Exchange site B was located over a two-fold symmetry axis and was modelled in PART -1. One solvent molecule was modelled isotropic to prevent over-expansion of thermal ellipsoids. During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I311	0.58441 (12)	0.0068 (3)	0.84937 (17)	0.0773 (9)	0.5929
I306	0.88401 (14)	−0.3832 (5)	0.7396 (2)	0.0888 (14)	0.5955
I301	0.70400 (10)	−0.0194 (2)	0.00951 (10)	0.0772 (7)	0.672 (3)
I305	0.9348 (2)	−0.4787 (4)	0.6337 (2)	0.161 (4)	0.5955
I410	0.3592 (3)	0.8890 (8)	0.7280 (4)	0.091 (2)	0.40 (3)
I302	0.80139 (11)	−0.0975 (2)	0.11526 (10)	0.0861 (7)	0.672 (3)
I408	0.7767 (3)	0.4650 (6)	0.6012 (3)	0.0645 (18)	0.1864
I407	0.6732 (3)	0.4677 (8)	0.4918 (3)	0.0645 (18)	0.1864
I312	0.48440 (17)	0.1645 (6)	0.8958 (2)	0.0991 (14)	0.5929
I409	0.4302 (3)	0.9965 (4)	0.63508 (19)	0.082 (2)	0.40 (3)
Zn33	0.9076 (3)	−0.3617 (7)	0.6750 (3)	0.086 (4)	0.5955
Zn36	0.5527 (2)	0.1515 (5)	0.86841 (19)	0.066 (3)	0.5929
Zn45	0.3967 (6)	0.8752 (10)	0.6713 (5)	0.079 (4)	0.40 (3)
Zn44	0.7056 (3)	0.4041 (9)	0.5604 (4)	0.051 (7)	0.1864
Zn31	0.7271 (2)	−0.1136 (5)	0.06985 (19)	0.0670 (12)	0.672 (3)
N309	0.7301 (4)	−0.1896 (7)	0.5398 (4)	0.054 (3)
N316	0.5169 (4)	0.4843 (7)	0.7213 (4)	0.061 (3)
N308	0.6895 (4)	−0.0580 (7)	0.5224 (4)	0.057 (3)
N310	0.7497 (4)	−0.0584 (7)	0.5772 (3)	0.054 (3)
N304	0.5376 (4)	−0.0246 (8)	0.2297 (4)	0.058 (3)
N305	0.4579 (4)	0.2572 (9)	0.1870 (4)	0.062 (3)
N314	0.5732 (5)	0.4001 (8)	0.7015 (4)	0.068 (4)
N311	0.8614 (4)	−0.2838 (7)	0.6396 (4)	0.068 (4)
N321	0.6868 (4)	0.4356 (7)	1.0051 (4)	0.068 (4)
N322	0.7444 (5)	0.4244 (8)	1.0614 (4)	0.071 (4)
N320	0.7221 (4)	0.2969 (8)	1.0207 (4)	0.070 (4)
N312	0.7101 (5)	0.2635 (9)	0.5588 (4)	0.074 (4)
N307	0.6141 (5)	−0.2812 (8)	0.4236 (4)	0.072 (4)
N303	0.5677 (4)	0.0232 (9)	0.1750 (4)	0.068 (3)
N324	0.8496 (5)	0.1933 (8)	1.1239 (4)	0.074 (4)
N306	0.5675 (5)	−0.2656 (9)	0.3315 (4)	0.069 (4)
N313	0.6619 (5)	0.4207 (8)	0.5965 (4)	0.068 (3)
N302	0.5944 (5)	−0.1075 (9)	0.2111 (4)	0.075 (4)
N318	0.5438 (5)	0.2334 (10)	0.8199 (4)	0.077 (4)
N319	0.6008 (5)	0.2171 (9)	0.9079 (4)	0.074 (4)
N315	0.5479 (4)	0.5335 (9)	0.6666 (4)	0.073 (4)
N323	0.7192 (5)	0.7508 (10)	1.0550 (5)	0.075 (4)
N317	0.4410 (5)	0.7739 (10)	0.6792 (5)	0.082 (5)
C352	0.5431 (5)	0.3503 (9)	0.7567 (4)	0.059 (4)
C343	0.5206 (5)	0.5408 (9)	0.6913 (5)	0.061 (4)
C325	0.7544 (4)	−0.1448 (8)	0.5692 (4)	0.051 (3)
C326	0.7182 (5)	−0.0180 (9)	0.5515 (4)	0.059 (4)
C307	0.5416 (5)	0.0321 (10)	0.2002 (4)	0.058 (4)
C321	0.6685 (5)	−0.1912 (9)	0.4864 (4)	0.058 (4)
C344	0.5440 (5)	0.4134 (10)	0.7237 (4)	0.061 (4)
C324	0.6979 (5)	−0.1446 (9)	0.5176 (4)	0.056 (4)
C309	0.5140 (5)	0.1133 (9)	0.1960 (4)	0.057 (4)
C308	0.5660 (5)	−0.0931 (10)	0.2342 (5)	0.061 (4)
C313	0.4909 (5)	0.1355 (10)	0.2243 (5)	0.067 (4)
H313	0.494005	0.099752	0.247502	0.080*
C339	0.6040 (5)	0.4462 (11)	0.6460 (5)	0.067 (4)
C336	0.7336 (5)	0.2180 (10)	0.5880 (5)	0.066 (4)
H336	0.748859	0.249505	0.610603	0.079*
C345	0.4935 (5)	0.6226 (10)	0.6888 (5)	0.066 (4)
C334	0.7138 (5)	0.0803 (8)	0.5556 (4)	0.056 (4)
C348	0.4410 (6)	0.7185 (11)	0.7081 (6)	0.077 (5)
H348	0.421975	0.729433	0.725666	0.092*
C319	0.6500 (5)	−0.3178 (11)	0.4438 (5)	0.071 (5)
H319	0.657332	−0.375527	0.436107	0.085*
C327	0.7916 (5)	−0.1937 (9)	0.5938 (4)	0.055 (4)
C331	0.8190 (5)	−0.1505 (9)	0.6238 (5)	0.068 (4)
H331	0.814393	−0.089884	0.629565	0.081*
C335	0.7372 (5)	0.1280 (9)	0.5877 (5)	0.069 (4)
H335	0.755469	0.097934	0.609046	0.082*
C303	0.6234 (6)	−0.0629 (13)	0.1540 (6)	0.079 (5)
C316	0.5669 (6)	−0.1529 (10)	0.2670 (5)	0.065 (4)
C363	0.7157 (6)	0.5671 (9)	1.0433 (5)	0.066 (4)
C362	0.7468 (6)	0.3369 (10)	1.0506 (5)	0.069 (5)
C361	0.7149 (6)	0.4704 (9)	1.0355 (5)	0.068 (4)
N301	0.6797 (7)	−0.0955 (12)	0.1032 (6)	0.101 (6)
C360	0.6923 (6)	0.3495 (11)	0.9993 (5)	0.070 (4)
C322	0.6314 (5)	−0.1516 (10)	0.4638 (5)	0.078 (6)
H322	0.624878	−0.091504	0.468901	0.094*
C350	0.5667 (6)	0.2188 (12)	0.7919 (6)	0.086 (6)
H350	0.583985	0.166600	0.794413	0.104*
C312	0.4637 (5)	0.2068 (11)	0.2205 (5)	0.068 (4)
H312	0.448960	0.221109	0.241145	0.082*
C320	0.6780 (6)	−0.2775 (10)	0.4760 (4)	0.069 (5)
H320	0.702753	−0.308066	0.490207	0.083*
C370	0.7826 (6)	0.2856 (10)	1.0766 (5)	0.071 (5)
C310	0.5096 (6)	0.1672 (11)	0.1643 (6)	0.076 (5)
H310	0.525985	0.155732	0.144501	0.092*
C349	0.4683 (7)	0.6412 (12)	0.7149 (6)	0.083 (6)
H349	0.468524	0.604041	0.737295	0.100*
C357	0.6608 (6)	0.3038 (11)	0.9669 (5)	0.081 (6)
O2A	0.7453 (7)	0.0304 (12)	0.8146 (5)	0.084 (6)	0.6636
C306	0.5932 (6)	−0.0484 (12)	0.1812 (5)	0.076 (5)
C364	0.6917 (7)	0.6263 (11)	1.0167 (6)	0.085 (6)
H364	0.673611	0.604567	0.993060	0.101*
C351	0.5674 (6)	0.2733 (12)	0.7594 (5)	0.074 (5)
H351	0.583843	0.258336	0.740035	0.089*
C328	0.8001 (5)	−0.2801 (9)	0.5866 (6)	0.080 (6)
H328	0.781927	−0.311145	0.565432	0.095*
C355	0.5974 (7)	0.3059 (11)	0.9159 (6)	0.098 (8)
H355	0.573563	0.338153	0.901017	0.118*
C369	0.7884 (6)	0.1974 (11)	1.0692 (6)	0.077 (5)
H369	0.770562	0.167391	1.047511	0.093*
C359	0.6353 (6)	0.1754 (12)	0.9291 (6)	0.086 (6)
H359	0.639676	0.114780	0.923201	0.104*
C329	0.8349 (6)	−0.3228 (12)	0.6099 (6)	0.086 (6)
H329	0.839973	−0.383276	0.604239	0.104*
C323	0.6040 (7)	−0.1983 (11)	0.4342 (6)	0.089 (6)
H323	0.577647	−0.171663	0.421069	0.106*
C354	0.5177 (7)	0.3024 (12)	0.8152 (6)	0.086 (6)
H354	0.498930	0.311391	0.833176	0.103*
O3A	0.6080 (5)	0.0732 (12)	0.7330 (6)	0.078 (5)	0.6636
C342	0.5723 (6)	0.4603 (12)	0.6731 (5)	0.071 (5)
C333	0.6886 (6)	0.1297 (10)	0.5263 (5)	0.073 (5)
H333	0.671144	0.100438	0.504139	0.088*
C356	0.6274 (6)	0.3517 (12)	0.9451 (6)	0.093 (7)
H356	0.624480	0.413688	0.949407	0.112*
C353	0.5170 (7)	0.3645 (14)	0.7834 (6)	0.089 (6)
H353	0.498656	0.415156	0.780829	0.107*
C332	0.6881 (6)	0.2208 (10)	0.5284 (5)	0.080 (5)
H332	0.671170	0.253487	0.507071	0.095*
C365	0.6939 (6)	0.7197 (11)	1.0244 (6)	0.080 (5)
H365	0.676280	0.759114	1.006319	0.096*
C358	0.6640 (7)	0.2144 (10)	0.9582 (6)	0.083 (6)
H358	0.687000	0.180074	0.973198	0.100*
C368	0.8221 (6)	0.1532 (11)	1.0952 (5)	0.081 (6)
H368	0.825131	0.090921	1.091934	0.098*
C330	0.8539 (6)	−0.1978 (10)	0.6458 (5)	0.083 (6)
H330	0.873317	−0.167324	0.666312	0.099*
C341	0.6667 (8)	0.3825 (15)	0.6299 (7)	0.109 (8)
H341	0.690561	0.343074	0.637090	0.130*
C338	0.5980 (7)	0.4874 (15)	0.6102 (6)	0.094 (6)
H338	0.574355	0.526908	0.602176	0.112*
C367	0.7408 (7)	0.6041 (11)	1.0765 (6)	0.088 (6)
H367	0.757818	0.566539	1.095841	0.106*
C301	0.6458 (8)	−0.0392 (16)	0.0929 (6)	0.099 (7)
H301	0.640961	−0.011220	0.067570	0.119*
C311	0.4812 (7)	0.2407 (13)	0.1599 (7)	0.095 (6)
H311	0.478778	0.278435	0.137313	0.114*
C317	0.5337 (7)	−0.1600 (15)	0.2849 (7)	0.099 (7)
H317	0.508174	−0.126867	0.274726	0.119*
C366	0.7420 (7)	0.6958 (11)	1.0825 (5)	0.086 (6)
H366	0.759086	0.719788	1.106240	0.103*
O1A	0.7092 (6)	0.2410 (13)	0.6942 (5)	0.090 (6)	0.6636
H1A	0.716043	0.216564	0.674305	0.134*	0.6636
C318	0.5347 (7)	−0.2157 (15)	0.3191 (7)	0.098 (7)
H318	0.511099	−0.215456	0.332496	0.117*
C340	0.6394 (7)	0.3937 (14)	0.6573 (7)	0.097 (7)
H340	0.645555	0.365677	0.682671	0.116*
C12A	0.6395 (6)	0.0152 (10)	0.7490 (6)	0.071 (6)	0.6636
C337	0.6265 (7)	0.4716 (13)	0.5854 (7)	0.089 (6)
H337	0.620909	0.497670	0.559669	0.106*
C302	0.6184 (8)	−0.0214 (15)	0.1181 (7)	0.099 (7)
H302	0.595600	0.020382	0.110463	0.119*
C7A	0.6762 (6)	0.0478 (11)	0.7747 (6)	0.066 (6)	0.6636
C347	0.4668 (8)	0.7565 (15)	0.6557 (9)	0.118 (9)
H347	0.466564	0.795929	0.633998	0.142*
C4A	0.6799 (5)	0.1459 (6)	0.7841 (4)	0.060 (5)	0.6636
C5A	0.6860 (5)	0.2089 (9)	0.7561 (4)	0.081 (7)	0.6636
C6A	0.6869 (5)	0.2989 (8)	0.7656 (5)	0.086 (8)	0.6636
H6A	0.691031	0.341979	0.746473	0.104*	0.6636
C1A	0.6816 (5)	0.3259 (6)	0.8030 (5)	0.071 (7)	0.6636
H1AA	0.682222	0.387439	0.809521	0.085*	0.6636
C2A	0.6755 (5)	0.2629 (9)	0.8310 (4)	0.068 (6)	0.6636
H2A	0.671945	0.281357	0.856623	0.081*	0.6636
C3A	0.6747 (5)	0.1729 (8)	0.8216 (4)	0.063 (6)	0.6636
H3A	0.670478	0.129815	0.840678	0.075*	0.6636
C472	0.836 (6)	0.270 (9)	1.136 (3)	0.106 (8)	0.21 (19)
H472	0.842527	0.284714	1.163746	0.127*	0.21 (19)
C11A	0.6347 (8)	−0.0752 (10)	0.7424 (8)	0.092 (8)	0.6636
H11A	0.608435	−0.098066	0.726995	0.110*	0.6636
C305	0.6851 (10)	−0.139 (2)	0.1374 (9)	0.139 (12)
H305	0.707977	−0.180658	0.144404	0.167*
C8A	0.7093 (7)	−0.0097 (11)	0.7908 (7)	0.082 (7)	0.6636
C346	0.4954 (8)	0.6831 (15)	0.6596 (8)	0.108 (8)
H346	0.515292	0.676137	0.642494	0.130*
C10A	0.6681 (8)	−0.1324 (12)	0.7583 (7)	0.095 (8)	0.6636
H10A	0.665256	−0.194325	0.752700	0.113*	0.6636
C304	0.6575 (8)	−0.1233 (18)	0.1629 (7)	0.120 (10)
H304	0.661856	−0.154757	0.187355	0.144*
C9A	0.7055 (8)	−0.1001 (12)	0.7822 (7)	0.094 (8)	0.6636
H9A	0.728512	−0.139497	0.792690	0.112*	0.6636
C14A	0.7824 (10)	−0.024 (2)	0.8285 (10)	0.115 (12)	0.6636
H14A	0.791515	−0.052138	0.805778	0.172*	0.6636
H14B	0.775104	−0.070411	0.846169	0.172*	0.6636
H14C	0.806037	0.012621	0.843149	0.172*	0.6636
C415	0.5792 (18)	−0.244 (2)	0.2651 (11)	0.086 (6)	0.34 (2)
H415	0.583952	−0.269891	0.241039	0.103*	0.34 (2)
C13A	0.6887 (12)	0.1785 (18)	0.7145 (7)	0.099 (9)	0.6636
H13A	0.704796	0.121608	0.716377	0.119*	0.6636
H13B	0.659049	0.167473	0.699034	0.119*	0.6636
C15A	0.5694 (10)	0.041 (3)	0.7084 (14)	0.136 (15)	0.6636
H15A	0.571176	0.048277	0.680387	0.204*	0.6636
H15B	0.544644	0.075176	0.713655	0.204*	0.6636
H15C	0.565617	−0.021886	0.714053	0.204*	0.6636
Zn43	0.9136 (4)	−0.3455 (9)	0.6748 (3)	0.056 (2)	0.4045
I406	0.8800 (3)	−0.3989 (8)	0.7320 (4)	0.131 (4)	0.4045
I405	0.9390 (2)	−0.4589 (5)	0.6281 (3)	0.0940 (18)	0.4045
I411	0.5822 (4)	0.0086 (5)	0.8606 (3)	0.151 (5)	0.4071
Zn46	0.5493 (4)	0.1591 (7)	0.8701 (3)	0.113 (7)	0.4071
I412	0.4837 (4)	0.1844 (11)	0.8995 (4)	0.169 (6)	0.4071
I309	0.4355 (3)	0.9815 (7)	0.6207 (7)	0.160 (4)	0.60 (3)
Zn35	0.3966 (3)	0.8738 (6)	0.6601 (5)	0.078 (3)	0.60 (3)
I310	0.3663 (4)	0.9094 (7)	0.7206 (3)	0.120 (3)	0.60 (3)
Zn32	0.57168 (19)	−0.3475 (5)	0.3804 (2)	0.065 (4)	0.55
I303	0.60572 (16)	−0.4940 (3)	0.36633 (18)	0.1008 (14)	0.55
I304	0.49881 (14)	−0.3307 (5)	0.40062 (18)	0.1105 (19)	0.55
I401	0.6818 (5)	−0.0331 (6)	−0.0062 (3)	0.187 (6)	0.328 (3)
I402	0.7864 (5)	−0.0712 (7)	0.0980 (6)	0.249 (8)	0.328 (3)
Zn41	0.7133 (9)	−0.1123 (11)	0.0605 (9)	0.206 (14)	0.328 (3)
C414	0.5838 (19)	−0.295 (3)	0.3006 (11)	0.086 (6)	0.34 (2)
H414	0.598785	−0.349839	0.302562	0.103*	0.34 (2)
C314	0.6046 (9)	−0.248 (2)	0.3197 (9)	0.086 (6)	0.66 (2)
H314	0.631098	−0.268942	0.335363	0.103*	0.66 (2)
C315	0.6057 (9)	−0.199 (2)	0.2846 (9)	0.086 (6)	0.66 (2)
H315	0.630901	−0.196756	0.273469	0.103*	0.66 (2)
Zn42	0.5709 (4)	−0.3465 (7)	0.3796 (3)	0.117 (8)	0.45
I404	0.4992 (3)	−0.3435 (9)	0.4012 (3)	0.218 (7)	0.45
I403	0.6064 (4)	−0.4854 (5)	0.3614 (3)	0.232 (7)	0.45
Zn34	0.7057 (2)	0.4023 (3)	0.56121 (17)	0.100 (3)	0.7681
I307	0.67138 (17)	0.4586 (3)	0.49291 (13)	0.1471 (18)	0.7681
I308	0.77845 (14)	0.4587 (2)	0.59678 (16)	0.1421 (17)	0.7681
C372	0.8460 (18)	0.2811 (17)	1.1273 (18)	0.106 (8)	0.79 (19)
H372	0.869070	0.312247	1.143981	0.127*	0.79 (19)
C371	0.8099 (7)	0.3304 (11)	1.1076 (6)	0.106 (8)
H371	0.811438	0.393388	1.109835	0.127*
C810	0.5120 (15)	0.423 (2)	0.4817 (16)	0.080*	0.2855
H81A	0.500414	0.483886	0.475928	0.096*	0.2855
H81B	0.527432	0.421281	0.509827	0.096*	0.2855
C811	0.5441 (15)	0.403 (2)	0.4551 (16)	0.080*	0.2855
H81C	0.570030	0.441001	0.463559	0.096*	0.2855
H81D	0.530717	0.419530	0.427343	0.096*	0.2855
C812	0.5584 (12)	0.306 (3)	0.4559 (17)	0.080*	0.2855
H81E	0.579050	0.294129	0.481231	0.096*	0.2855
H81F	0.573863	0.295640	0.433911	0.096*	0.2855
C807	0.5208 (15)	0.240 (2)	0.4518 (16)	0.080*	0.2855
H80A	0.504284	0.240603	0.423914	0.096*	0.2855
H80B	0.532589	0.179112	0.457515	0.096*	0.2855
C808	0.4899 (15)	0.261 (2)	0.4796 (16)	0.080*	0.2855
H80C	0.504932	0.249079	0.507381	0.096*	0.2855
H80D	0.464643	0.220232	0.473300	0.096*	0.2855
C809	0.4741 (12)	0.357 (3)	0.4759 (17)	0.080*	0.2855
H80E	0.455434	0.366439	0.449259	0.096*	0.2855
H80F	0.456489	0.368929	0.496083	0.096*	0.2855
C4B	0.261 (2)	0.242 (2)	0.7385 (18)	0.144 (15)	0.25
C5B	0.233 (2)	0.226 (3)	0.7645 (17)	0.141 (15)	0.25
C6B	0.221 (2)	0.140 (3)	0.7715 (18)	0.137 (17)	0.25
H6B	0.202006	0.129170	0.789283	0.164*	0.25
C1B	0.236 (3)	0.069 (3)	0.752 (2)	0.140 (19)	0.25
H1B	0.227894	0.009642	0.757194	0.168*	0.25
C2B	0.264 (3)	0.084 (3)	0.7264 (19)	0.137 (18)	0.25
H2B	0.274378	0.035671	0.713352	0.164*	0.25
C3B	0.276 (3)	0.171 (3)	0.7194 (18)	0.140 (17)	0.25
H3B	0.294973	0.181230	0.701600	0.168*	0.25
C7B	0.2721 (17)	0.334 (3)	0.7283 (14)	0.154 (16)	0.25
C8B	0.3123 (16)	0.369 (3)	0.7459 (14)	0.160 (18)	0.25
C9B	0.3261 (19)	0.449 (4)	0.7325 (19)	0.16 (2)	0.25
H9B	0.353534	0.472755	0.744564	0.194*	0.25
C10B	0.300 (3)	0.494 (4)	0.701 (2)	0.16 (2)	0.25
H10B	0.309030	0.549230	0.692304	0.196*	0.25
C11B	0.259 (2)	0.460 (4)	0.6838 (17)	0.16 (2)	0.25
H11B	0.241335	0.490831	0.662620	0.192*	0.25
C12B	0.2456 (16)	0.380 (4)	0.6972 (15)	0.156 (18)	0.25
O3B	0.2063 (19)	0.345 (4)	0.6780 (15)	0.15 (2)	0.25
O2B	0.336 (3)	0.320 (4)	0.7768 (18)	0.16 (2)	0.25
C816	0.417 (3)	0.460 (6)	0.809 (3)	0.23 (4)	0.2614
H81G	0.439679	0.413532	0.816039	0.271*	0.2614
H81H	0.399326	0.460161	0.829555	0.271*	0.2614
C815	0.388 (3)	0.437 (5)	0.768 (3)	0.22 (4)	0.2614
H81I	0.406329	0.430188	0.748239	0.268*	0.2614
H81J	0.373419	0.379235	0.770345	0.268*	0.2614
C814	0.354 (3)	0.509 (7)	0.755 (3)	0.22 (4)	0.2614
H81K	0.337621	0.494663	0.727373	0.265*	0.2614
H81L	0.332935	0.509631	0.772478	0.265*	0.2614
C813	0.374 (3)	0.602 (6)	0.754 (3)	0.23 (4)	0.2614
H81M	0.351218	0.646911	0.747971	0.270*	0.2614
H81N	0.391669	0.603799	0.733330	0.270*	0.2614
C818	0.404 (3)	0.624 (5)	0.795 (3)	0.23 (4)	0.2614
H81O	0.385874	0.628731	0.815259	0.272*	0.2614
H81P	0.418060	0.681734	0.793011	0.272*	0.2614
C817	0.438 (3)	0.551 (7)	0.807 (3)	0.22 (4)	0.2614
H81Q	0.457666	0.549310	0.787795	0.266*	0.2614
H81R	0.456191	0.565747	0.833627	0.266*	0.2614
I1	0.7124 (9)	0.4848 (19)	0.5229 (9)	0.080*	0.0455
I7	0.8075 (9)	0.416 (2)	0.6257 (9)	0.080*	0.0455
Zn12	0.741 (2)	0.392 (4)	0.5902 (18)	0.080*	0.0455
C14B	0.371 (4)	0.364 (8)	0.803 (4)	0.18 (4)	0.25
H14D	0.389524	0.392488	0.786908	0.276*	0.25
H14E	0.387369	0.320663	0.820869	0.276*	0.25
H14F	0.359155	0.409808	0.818182	0.276*	0.25
C15B	0.181 (3)	0.397 (9)	0.646 (3)	0.20 (4)	0.25
H15D	0.183512	0.369506	0.620400	0.302*	0.25
H15E	0.192648	0.457520	0.647060	0.302*	0.25
H15F	0.150986	0.397740	0.648387	0.302*	0.25
C802	0.5982 (15)	−0.268 (4)	0.6096 (13)	0.124 (16)	0.32
H80G	0.570370	−0.238304	0.598876	0.149*	0.32
H80H	0.591757	−0.329624	0.617343	0.149*	0.32
C803	0.6222 (18)	−0.218 (3)	0.6463 (13)	0.127 (17)	0.32
H80I	0.605363	−0.222552	0.667613	0.152*	0.32
H80J	0.624127	−0.154468	0.639530	0.152*	0.32
C804	0.6679 (18)	−0.254 (4)	0.6619 (10)	0.134 (17)	0.32
H80K	0.665716	−0.313779	0.673892	0.161*	0.32
H80L	0.683269	−0.214508	0.683096	0.161*	0.32
C805	0.6944 (15)	−0.263 (4)	0.6293 (13)	0.129 (17)	0.32
H80M	0.721917	−0.293678	0.640218	0.155*	0.32
H80N	0.701530	−0.202273	0.620964	0.155*	0.32
C806	0.6699 (16)	−0.314 (3)	0.5928 (12)	0.109 (16)	0.32
H80O	0.666623	−0.376646	0.600107	0.131*	0.32
H80P	0.686941	−0.312220	0.571562	0.131*	0.32
C801	0.6250 (17)	−0.273 (4)	0.5770 (9)	0.120 (16)	0.32
H80Q	0.628432	−0.212305	0.566867	0.144*	0.32
H80R	0.609373	−0.309420	0.554550	0.144*	0.32
O1B	0.251 (3)	0.351 (5)	0.810 (3)	0.18 (3)	0.25
H1BA	0.249204	0.345213	0.833680	0.265*	0.25
C13B	0.216 (2)	0.302 (4)	0.786 (2)	0.15 (2)	0.25
H13C	0.199051	0.343018	0.765615	0.179*	0.25
H13D	0.196792	0.279026	0.802455	0.179*	0.25

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I311	0.0856 (17)	0.0473 (15)	0.078 (2)	−0.0089 (11)	−0.0312 (13)	−0.0052 (12)
I306	0.0478 (13)	0.077 (3)	0.125 (3)	−0.0021 (14)	−0.0210 (15)	0.048 (2)
I301	0.0998 (14)	0.0485 (10)	0.0909 (16)	0.0117 (10)	0.0373 (11)	0.0100 (10)
I305	0.165 (5)	0.041 (3)	0.210 (5)	0.023 (2)	−0.116 (4)	−0.048 (3)
I410	0.068 (3)	0.074 (4)	0.125 (5)	−0.002 (2)	0.002 (3)	−0.028 (3)
I302	0.0842 (13)	0.0518 (13)	0.1158 (16)	−0.0060 (10)	0.0054 (12)	−0.0149 (10)
I408	0.061 (3)	0.042 (3)	0.083 (4)	0.016 (2)	−0.004 (3)	0.035 (3)
I407	0.061 (3)	0.042 (3)	0.083 (4)	0.016 (2)	−0.004 (3)	0.035 (3)
I312	0.091 (2)	0.128 (4)	0.080 (2)	−0.032 (2)	0.0207 (18)	−0.009 (2)
I409	0.096 (3)	0.040 (2)	0.093 (5)	0.0052 (18)	−0.022 (2)	−0.0034 (19)
Zn33	0.080 (6)	0.026 (4)	0.121 (5)	−0.009 (3)	−0.048 (4)	0.006 (3)
Zn36	0.073 (4)	0.059 (5)	0.060 (4)	−0.009 (3)	0.000 (3)	0.007 (3)
Zn45	0.088 (7)	0.048 (5)	0.075 (8)	0.001 (4)	−0.044 (5)	−0.030 (4)
Zn44	0.034 (6)	0.061 (16)	0.058 (11)	0.013 (7)	0.007 (7)	0.028 (9)
Zn31	0.076 (2)	0.044 (3)	0.084 (3)	0.0085 (17)	0.024 (2)	0.0008 (19)
N309	0.063 (7)	0.026 (5)	0.062 (7)	0.000 (5)	−0.013 (6)	0.002 (5)
N316	0.062 (7)	0.036 (6)	0.069 (8)	0.005 (5)	−0.022 (6)	−0.003 (5)
N308	0.061 (7)	0.033 (6)	0.065 (7)	0.008 (5)	−0.017 (6)	0.007 (5)
N310	0.066 (7)	0.032 (5)	0.051 (6)	0.002 (5)	−0.018 (5)	0.004 (5)
N304	0.069 (8)	0.047 (7)	0.054 (7)	−0.003 (6)	0.004 (6)	0.002 (5)
N305	0.051 (7)	0.057 (7)	0.067 (8)	−0.007 (6)	−0.018 (6)	−0.007 (6)
N314	0.077 (9)	0.045 (7)	0.068 (8)	−0.006 (6)	−0.019 (7)	−0.007 (6)
N311	0.071 (8)	0.030 (6)	0.082 (9)	−0.012 (5)	−0.034 (7)	0.008 (5)
N321	0.083 (9)	0.027 (6)	0.077 (8)	0.000 (5)	−0.022 (7)	0.005 (5)
N322	0.083 (9)	0.044 (7)	0.072 (8)	0.001 (6)	−0.015 (7)	−0.006 (6)
N320	0.083 (9)	0.033 (6)	0.077 (9)	−0.007 (6)	−0.026 (7)	0.011 (6)
N312	0.083 (9)	0.056 (8)	0.076 (9)	0.002 (7)	0.000 (8)	0.013 (7)
N307	0.087 (9)	0.046 (7)	0.062 (8)	−0.015 (6)	−0.032 (7)	0.016 (6)
N303	0.065 (8)	0.058 (8)	0.076 (9)	0.012 (6)	0.007 (7)	0.010 (7)
N324	0.081 (9)	0.037 (6)	0.085 (9)	−0.007 (6)	−0.024 (7)	0.007 (6)
N306	0.076 (9)	0.059 (8)	0.057 (7)	0.004 (7)	−0.018 (7)	−0.016 (6)
N313	0.084 (9)	0.044 (7)	0.073 (9)	0.006 (6)	0.007 (7)	0.004 (6)
N302	0.092 (10)	0.047 (7)	0.078 (9)	0.014 (7)	0.001 (8)	0.009 (6)
N318	0.091 (10)	0.074 (10)	0.052 (8)	0.014 (8)	−0.015 (7)	0.004 (7)
N319	0.084 (9)	0.049 (7)	0.076 (9)	0.003 (7)	−0.014 (7)	0.013 (6)
N315	0.061 (8)	0.059 (8)	0.081 (9)	−0.004 (6)	−0.026 (7)	−0.023 (7)
N323	0.081 (9)	0.056 (8)	0.088 (10)	−0.002 (7)	0.015 (8)	−0.002 (7)
N317	0.072 (10)	0.058 (9)	0.101 (12)	0.006 (7)	−0.018 (9)	0.009 (8)
C352	0.062 (8)	0.044 (7)	0.055 (8)	0.004 (6)	−0.024 (7)	−0.004 (6)
C343	0.060 (9)	0.041 (7)	0.067 (9)	−0.010 (6)	−0.022 (8)	−0.007 (7)
C325	0.046 (7)	0.036 (7)	0.061 (8)	−0.001 (5)	−0.012 (6)	0.007 (6)
C326	0.075 (9)	0.040 (7)	0.050 (8)	−0.010 (7)	−0.015 (7)	0.004 (6)
C307	0.055 (8)	0.050 (8)	0.056 (8)	0.011 (6)	−0.017 (7)	0.011 (6)
C321	0.065 (8)	0.034 (7)	0.059 (8)	−0.004 (6)	−0.024 (7)	0.005 (6)
C344	0.060 (9)	0.059 (9)	0.050 (8)	0.003 (7)	−0.022 (7)	−0.010 (7)
C324	0.060 (8)	0.041 (7)	0.056 (8)	−0.005 (6)	−0.018 (7)	−0.004 (6)
C309	0.069 (9)	0.039 (7)	0.055 (8)	0.003 (6)	−0.008 (7)	−0.001 (6)
C308	0.066 (9)	0.050 (8)	0.061 (9)	0.011 (7)	−0.002 (7)	0.014 (7)
C313	0.071 (10)	0.043 (8)	0.075 (10)	0.007 (7)	−0.013 (8)	0.006 (7)
C339	0.058 (9)	0.053 (9)	0.081 (11)	−0.001 (7)	−0.005 (8)	0.004 (8)
C336	0.083 (10)	0.043 (8)	0.056 (8)	0.003 (7)	−0.019 (8)	0.003 (6)
C345	0.063 (9)	0.043 (8)	0.078 (11)	0.010 (7)	−0.020 (8)	0.010 (7)
C334	0.069 (9)	0.027 (6)	0.063 (8)	0.005 (6)	−0.006 (7)	0.011 (6)
C348	0.082 (11)	0.051 (9)	0.080 (11)	0.013 (8)	−0.025 (9)	−0.006 (8)
C319	0.076 (10)	0.060 (9)	0.065 (10)	−0.002 (8)	−0.016 (8)	0.004 (8)
C327	0.059 (8)	0.037 (7)	0.059 (8)	0.001 (6)	−0.012 (7)	0.009 (6)
C331	0.081 (10)	0.029 (7)	0.078 (10)	−0.001 (7)	−0.018 (8)	−0.007 (7)
C335	0.061 (9)	0.036 (7)	0.096 (12)	−0.005 (6)	−0.014 (8)	−0.004 (7)
C303	0.084 (12)	0.071 (11)	0.082 (12)	0.009 (9)	0.019 (10)	0.002 (9)
C316	0.083 (11)	0.050 (8)	0.055 (8)	0.010 (8)	0.000 (8)	0.006 (7)
C363	0.087 (11)	0.035 (7)	0.067 (9)	−0.003 (7)	−0.008 (8)	0.001 (6)
C362	0.077 (10)	0.037 (7)	0.078 (10)	0.005 (7)	−0.018 (8)	0.013 (7)
C361	0.085 (11)	0.029 (7)	0.076 (10)	−0.006 (7)	−0.013 (8)	−0.005 (6)
N301	0.143 (16)	0.071 (10)	0.103 (13)	0.033 (11)	0.055 (12)	0.009 (9)
C360	0.087 (12)	0.051 (9)	0.068 (10)	0.012 (8)	0.007 (9)	0.011 (7)
C322	0.077 (10)	0.037 (7)	0.093 (12)	−0.001 (7)	−0.048 (9)	−0.008 (7)
C350	0.078 (12)	0.056 (10)	0.101 (15)	−0.007 (9)	−0.038 (11)	0.025 (10)
C312	0.071 (10)	0.058 (9)	0.064 (9)	−0.005 (8)	−0.017 (8)	−0.004 (8)
C320	0.092 (11)	0.055 (9)	0.046 (8)	0.001 (8)	−0.020 (8)	0.002 (7)
C370	0.082 (11)	0.041 (8)	0.075 (10)	−0.001 (7)	−0.021 (9)	0.011 (7)
C310	0.093 (12)	0.053 (9)	0.080 (11)	0.015 (9)	0.011 (10)	0.009 (8)
C349	0.103 (14)	0.059 (10)	0.067 (11)	0.013 (10)	−0.029 (10)	−0.006 (8)
C357	0.097 (13)	0.047 (9)	0.080 (11)	−0.002 (8)	−0.030 (10)	0.013 (8)
O2A	0.132 (15)	0.063 (10)	0.059 (10)	0.051 (10)	0.021 (10)	0.024 (8)
C306	0.098 (13)	0.058 (10)	0.069 (10)	0.016 (9)	0.010 (9)	0.011 (8)
C364	0.112 (15)	0.046 (9)	0.083 (12)	−0.013 (9)	−0.011 (11)	−0.005 (8)
C351	0.075 (11)	0.070 (11)	0.067 (10)	0.000 (9)	−0.010 (8)	0.012 (8)
C328	0.072 (10)	0.032 (7)	0.110 (13)	0.001 (7)	−0.040 (9)	−0.021 (8)
C355	0.102 (14)	0.051 (9)	0.105 (14)	0.000 (9)	−0.062 (12)	0.018 (9)
C369	0.071 (10)	0.051 (9)	0.096 (13)	−0.002 (8)	−0.015 (9)	−0.004 (9)
C359	0.096 (13)	0.048 (9)	0.097 (13)	−0.006 (9)	−0.023 (11)	0.007 (9)
C329	0.069 (10)	0.053 (10)	0.120 (16)	0.012 (8)	−0.020 (10)	0.013 (10)
C323	0.094 (13)	0.049 (9)	0.099 (14)	−0.008 (9)	−0.036 (11)	−0.011 (9)
C354	0.112 (15)	0.064 (11)	0.076 (12)	0.036 (11)	0.005 (10)	0.016 (9)
O3A	0.069 (10)	0.068 (11)	0.100 (13)	−0.019 (8)	0.027 (9)	−0.023 (9)
C342	0.072 (10)	0.072 (11)	0.052 (8)	−0.007 (8)	−0.029 (8)	0.005 (8)
C333	0.100 (12)	0.041 (8)	0.063 (9)	−0.009 (8)	−0.018 (9)	−0.006 (7)
C356	0.098 (14)	0.046 (9)	0.109 (15)	0.002 (9)	−0.041 (12)	0.001 (9)
C353	0.100 (14)	0.088 (14)	0.072 (12)	0.028 (11)	0.002 (11)	0.033 (10)
C332	0.111 (14)	0.040 (8)	0.073 (11)	0.014 (8)	−0.018 (10)	0.012 (7)
C365	0.086 (12)	0.047 (9)	0.103 (14)	0.020 (9)	0.012 (11)	0.021 (9)
C358	0.104 (14)	0.036 (8)	0.092 (13)	0.005 (8)	−0.021 (11)	0.008 (8)
C368	0.084 (11)	0.049 (9)	0.087 (12)	0.003 (8)	−0.038 (10)	−0.003 (8)
C330	0.091 (12)	0.034 (7)	0.094 (12)	0.010 (7)	−0.050 (10)	−0.006 (7)
C341	0.136 (19)	0.096 (16)	0.108 (16)	0.050 (14)	0.057 (15)	0.058 (13)
C338	0.089 (13)	0.103 (16)	0.089 (14)	0.040 (12)	0.016 (11)	0.027 (12)
C367	0.105 (14)	0.039 (8)	0.099 (14)	−0.015 (9)	−0.030 (11)	−0.006 (8)
C301	0.132 (19)	0.096 (15)	0.077 (13)	0.022 (14)	0.039 (13)	0.022 (11)
C311	0.101 (15)	0.068 (12)	0.114 (16)	0.021 (11)	0.018 (13)	0.043 (12)
C317	0.072 (12)	0.105 (16)	0.116 (17)	0.021 (11)	0.011 (12)	0.052 (14)
C366	0.121 (16)	0.046 (9)	0.073 (11)	−0.001 (9)	−0.024 (11)	−0.006 (8)
O1A	0.080 (12)	0.081 (13)	0.104 (14)	0.022 (10)	0.010 (10)	0.042 (11)
C318	0.094 (14)	0.088 (14)	0.109 (16)	0.005 (12)	0.013 (12)	0.037 (13)
C340	0.104 (15)	0.078 (13)	0.109 (16)	0.037 (12)	0.025 (13)	0.030 (12)
C12A	0.099 (15)	0.047 (11)	0.081 (14)	−0.019 (11)	0.048 (12)	−0.004 (10)
C337	0.094 (14)	0.072 (12)	0.095 (14)	0.005 (11)	0.009 (11)	0.007 (11)
C302	0.113 (16)	0.093 (15)	0.098 (15)	0.032 (13)	0.037 (13)	0.047 (12)
C7A	0.090 (14)	0.032 (10)	0.079 (13)	−0.001 (10)	0.026 (12)	0.000 (9)
C347	0.105 (17)	0.085 (15)	0.16 (2)	0.021 (13)	0.003 (16)	0.079 (16)
C4A	0.076 (12)	0.026 (9)	0.075 (13)	−0.002 (9)	0.013 (11)	−0.005 (9)
C5A	0.080 (14)	0.040 (11)	0.112 (17)	0.001 (10)	−0.008 (13)	0.008 (12)
C6A	0.055 (12)	0.047 (12)	0.15 (2)	0.001 (10)	−0.007 (14)	0.001 (14)
C1A	0.050 (11)	0.048 (11)	0.094 (16)	0.009 (9)	−0.031 (11)	−0.022 (11)
C2A	0.053 (11)	0.050 (12)	0.088 (15)	0.010 (9)	−0.014 (11)	−0.023 (11)
C3A	0.052 (11)	0.037 (10)	0.089 (14)	0.008 (8)	−0.010 (10)	−0.014 (10)
C472	0.109 (12)	0.037 (6)	0.129 (14)	−0.003 (7)	−0.077 (11)	0.017 (7)
C11A	0.15 (2)	0.049 (13)	0.092 (17)	−0.020 (14)	0.059 (16)	−0.010 (12)
C305	0.16 (3)	0.13 (2)	0.15 (2)	0.07 (2)	0.09 (2)	0.05 (2)
C8A	0.138 (19)	0.042 (11)	0.071 (14)	0.015 (13)	0.039 (14)	0.016 (10)
C346	0.123 (18)	0.078 (14)	0.130 (19)	0.039 (13)	0.040 (15)	0.031 (13)
C10A	0.18 (2)	0.056 (14)	0.069 (15)	−0.018 (16)	0.064 (16)	−0.003 (12)
C304	0.132 (19)	0.15 (2)	0.081 (14)	0.082 (18)	0.025 (14)	0.042 (14)
C9A	0.16 (2)	0.067 (15)	0.060 (14)	0.024 (16)	0.046 (15)	0.004 (12)
C14A	0.14 (3)	0.12 (3)	0.10 (2)	0.07 (2)	0.06 (2)	0.05 (2)
C415	0.075 (12)	0.094 (15)	0.086 (14)	0.018 (10)	0.012 (9)	0.045 (11)
C13A	0.12 (2)	0.059 (15)	0.12 (2)	−0.018 (15)	0.014 (18)	0.030 (15)
C15A	0.07 (2)	0.12 (3)	0.22 (4)	−0.03 (2)	0.04 (2)	−0.07 (3)
Zn43	0.034 (3)	0.021 (4)	0.097 (5)	−0.015 (3)	−0.026 (3)	0.003 (3)
I406	0.140 (7)	0.065 (3)	0.156 (7)	−0.011 (3)	−0.048 (4)	0.040 (4)
I405	0.066 (2)	0.031 (3)	0.166 (5)	0.0026 (16)	−0.020 (3)	−0.029 (2)
I411	0.240 (9)	0.040 (2)	0.120 (7)	−0.016 (3)	−0.086 (5)	0.000 (3)
Zn46	0.146 (12)	0.049 (6)	0.097 (9)	−0.019 (6)	−0.085 (7)	0.018 (5)
I412	0.201 (9)	0.150 (9)	0.130 (8)	−0.065 (6)	−0.029 (6)	0.034 (6)
I309	0.121 (3)	0.064 (3)	0.272 (10)	0.003 (2)	−0.015 (5)	0.056 (5)
Zn35	0.073 (4)	0.044 (3)	0.090 (7)	0.004 (2)	−0.045 (3)	−0.006 (4)
I310	0.156 (5)	0.072 (3)	0.100 (3)	0.012 (3)	−0.051 (3)	−0.029 (3)
Zn32	0.072 (4)	0.060 (8)	0.050 (7)	−0.019 (4)	−0.020 (4)	0.010 (5)
I303	0.143 (3)	0.043 (2)	0.081 (2)	−0.0016 (18)	−0.061 (2)	−0.0022 (16)
I304	0.084 (2)	0.159 (4)	0.088 (4)	−0.069 (2)	0.017 (2)	−0.036 (3)
I401	0.355 (16)	0.076 (5)	0.177 (10)	0.105 (8)	0.166 (10)	0.067 (6)
I402	0.233 (14)	0.104 (7)	0.46 (2)	−0.088 (8)	0.192 (15)	−0.125 (11)
Zn41	0.32 (3)	0.032 (7)	0.34 (3)	−0.031 (12)	0.24 (3)	−0.036 (12)
C414	0.075 (12)	0.094 (15)	0.086 (14)	0.018 (10)	0.012 (9)	0.045 (11)
C314	0.075 (12)	0.094 (15)	0.086 (14)	0.018 (10)	0.012 (9)	0.045 (11)
C315	0.075 (12)	0.094 (15)	0.086 (14)	0.018 (10)	0.012 (9)	0.045 (11)
Zn42	0.196 (15)	0.051 (10)	0.071 (12)	−0.044 (8)	−0.051 (9)	0.014 (8)
I404	0.268 (10)	0.280 (11)	0.075 (5)	−0.196 (9)	−0.039 (5)	0.025 (5)
I403	0.395 (14)	0.042 (3)	0.163 (8)	0.040 (4)	−0.164 (8)	−0.011 (3)
Zn34	0.152 (6)	0.028 (3)	0.128 (6)	0.006 (3)	0.047 (5)	0.013 (3)
I307	0.250 (4)	0.086 (2)	0.126 (2)	0.080 (2)	0.089 (3)	0.0632 (18)
I308	0.129 (2)	0.0505 (14)	0.251 (4)	−0.0287 (15)	0.051 (2)	−0.0057 (18)
C372	0.109 (12)	0.037 (6)	0.129 (14)	−0.003 (7)	−0.077 (11)	0.017 (7)
C371	0.109 (12)	0.037 (6)	0.129 (14)	−0.003 (7)	−0.077 (11)	0.017 (7)
C4B	0.17 (3)	0.13 (2)	0.10 (3)	−0.02 (3)	−0.05 (2)	−0.01 (2)
C5B	0.16 (3)	0.13 (3)	0.10 (3)	−0.01 (3)	−0.05 (2)	0.01 (2)
C6B	0.15 (4)	0.13 (3)	0.09 (3)	−0.01 (3)	−0.06 (3)	0.01 (3)
C1B	0.16 (4)	0.13 (3)	0.10 (4)	−0.02 (3)	−0.06 (3)	0.00 (3)
C2B	0.16 (4)	0.13 (3)	0.09 (4)	−0.01 (3)	−0.06 (3)	−0.01 (3)
C3B	0.16 (4)	0.13 (3)	0.10 (3)	−0.02 (3)	−0.06 (3)	−0.01 (3)
C7B	0.20 (3)	0.13 (3)	0.10 (3)	−0.02 (3)	−0.03 (2)	0.00 (2)
C8B	0.21 (4)	0.13 (3)	0.12 (3)	−0.03 (3)	−0.03 (2)	0.00 (3)
C9B	0.21 (4)	0.13 (3)	0.12 (4)	−0.03 (3)	−0.03 (3)	0.00 (3)
C10B	0.21 (4)	0.15 (4)	0.11 (4)	−0.03 (3)	−0.02 (3)	0.00 (3)
C11B	0.21 (4)	0.15 (3)	0.10 (3)	−0.03 (3)	−0.02 (3)	0.00 (3)
C12B	0.21 (4)	0.15 (3)	0.09 (3)	−0.02 (3)	−0.02 (2)	0.00 (2)
O3B	0.22 (4)	0.16 (4)	0.05 (2)	−0.03 (3)	−0.02 (3)	0.02 (3)
O2B	0.22 (4)	0.13 (4)	0.12 (4)	−0.03 (3)	−0.04 (3)	0.00 (3)
C816	0.27 (9)	0.18 (6)	0.30 (9)	−0.01 (5)	0.23 (8)	0.00 (7)
C815	0.27 (9)	0.18 (6)	0.30 (9)	0.00 (5)	0.24 (8)	0.00 (7)
C814	0.27 (9)	0.18 (6)	0.29 (9)	0.00 (5)	0.24 (8)	0.00 (7)
C813	0.28 (9)	0.18 (6)	0.29 (9)	0.00 (5)	0.23 (8)	0.01 (7)
C818	0.28 (9)	0.18 (6)	0.29 (9)	−0.01 (5)	0.23 (8)	0.01 (7)
C817	0.27 (9)	0.18 (6)	0.29 (9)	−0.01 (5)	0.24 (8)	0.01 (7)
C14B	0.23 (7)	0.11 (6)	0.16 (6)	−0.02 (5)	−0.07 (5)	0.00 (5)
C15B	0.26 (6)	0.22 (7)	0.09 (5)	−0.03 (6)	−0.05 (5)	0.06 (5)
C802	0.24 (4)	0.08 (3)	0.08 (2)	−0.05 (3)	0.08 (3)	−0.03 (2)
C803	0.25 (4)	0.08 (3)	0.08 (2)	−0.06 (3)	0.09 (3)	−0.04 (2)
C804	0.24 (4)	0.10 (3)	0.08 (2)	−0.06 (3)	0.08 (3)	−0.04 (2)
C805	0.23 (4)	0.09 (3)	0.08 (2)	−0.07 (3)	0.07 (3)	−0.05 (2)
C806	0.22 (4)	0.06 (2)	0.08 (2)	−0.08 (3)	0.08 (3)	−0.030 (19)
C801	0.23 (4)	0.07 (3)	0.08 (2)	−0.06 (3)	0.08 (3)	−0.04 (2)
O1B	0.21 (6)	0.18 (5)	0.12 (5)	−0.04 (5)	−0.02 (4)	−0.03 (4)
C13B	0.17 (4)	0.13 (3)	0.12 (4)	0.00 (3)	−0.04 (3)	0.01 (3)

Geometric parameters (Å, º)

I311—Zn36	2.535 (7)	C330—H330	0.9500
I306—Zn33	2.500 (9)	C341—H341	0.9500
I301—Zn31	2.491 (7)	C341—C340	1.41 (3)
I305—Zn33	2.517 (9)	C338—H338	0.9500
I410—Zn45	2.487 (12)	C338—C337	1.38 (3)
I302—Zn31	2.547 (6)	C367—H367	0.9500
I408—Zn44	2.558 (12)	C367—C366	1.39 (2)
I407—Zn44	2.552 (11)	C301—H301	0.9500
I312—Zn36	2.529 (6)	C301—C302	1.37 (3)
I409—Zn45	2.553 (13)	C311—H311	0.9500
Zn33—N305^i	2.209 (17)	C317—H317	0.9500
Zn33—N311	2.059 (14)	C317—C318	1.44 (3)
Zn36—N318	2.042 (16)	C366—H366	0.9500
Zn36—N319	2.066 (15)	O1A—H1A	0.8400
Zn45—N324^ii	2.22 (2)	O1A—C13A	1.40 (3)
Zn45—N317	2.046 (19)	C318—H318	0.9500
Zn44—N312	2.118 (19)	C340—H340	0.9500
Zn44—N313	2.050 (19)	C12A—C7A	1.391 (16)
Zn31—N323^iii	2.102 (16)	C12A—C11A	1.381 (16)
Zn31—N301	2.080 (19)	C337—H337	0.9500
N309—C325	1.319 (17)	C302—H302	0.9500
N309—C324	1.324 (17)	C7A—C4A	1.508 (18)
N316—C343	1.36 (2)	C7A—C8A	1.382 (15)
N316—C344	1.358 (19)	C347—H347	0.9500
N308—C326	1.345 (17)	C347—C346	1.41 (3)
N308—C324	1.345 (17)	C4A—C5A	1.3900
N310—C325	1.342 (17)	C4A—C3A	1.3900
N310—C326	1.333 (17)	C5A—C6A	1.3900
N304—C307	1.349 (19)	C5A—C13A	1.519 (18)
N304—C308	1.353 (19)	C6A—H6A	0.9500
N305—C312	1.36 (2)	C6A—C1A	1.3900
N305—C311	1.32 (3)	C1A—H1AA	0.9500
N305—Zn43^iv	1.91 (2)	C1A—C2A	1.3900
N314—C344	1.33 (2)	C2A—H2A	0.9500
N314—C342	1.33 (2)	C2A—C3A	1.3900
N311—C329	1.32 (2)	C3A—H3A	0.9500
N311—C330	1.339 (19)	C472—H472	0.9500
N311—Zn43	2.051 (15)	C472—C371	1.46 (8)
N321—C361	1.330 (19)	C11A—H11A	0.9500
N321—C360	1.33 (2)	C11A—C10A	1.382 (16)
N322—C362	1.373 (19)	C305—H305	0.9500
N322—C361	1.34 (2)	C305—C304	1.37 (3)
N320—C362	1.30 (2)	C8A—C9A	1.389 (16)
N320—C360	1.328 (19)	C346—H346	0.9500
N312—C336	1.312 (19)	C10A—H10A	0.9500
N312—C332	1.30 (2)	C10A—C9A	1.380 (16)
N312—Zn34	2.092 (15)	C304—H304	0.9500
N312—Zn12	2.32 (6)	C9A—H9A	0.9500
N307—C319	1.32 (2)	C14A—H14A	0.9800
N307—C323	1.36 (2)	C14A—H14B	0.9800
N307—Zn32	2.040 (13)	C14A—H14C	0.9800
N307—Zn42	2.063 (15)	C415—H415	0.9500
N303—C307	1.32 (2)	C415—C414	1.42 (3)
N303—C306	1.33 (2)	C13A—H13A	0.9900
N324—C368	1.318 (19)	C13A—H13B	0.9900
N324—C472	1.33 (3)	C15A—H15A	0.9800
N324—Zn35^v	2.001 (18)	C15A—H15B	0.9800
N324—C372	1.33 (2)	C15A—H15C	0.9800
N306—C318	1.28 (2)	Zn43—I406	2.542 (12)
N306—Zn32	2.065 (16)	Zn43—I405	2.577 (10)
N306—C414	1.34 (3)	I411—Zn46	2.538 (12)
N306—C314	1.34 (3)	Zn46—I412	2.512 (13)
N306—Zn42	2.036 (18)	I309—Zn35	2.575 (9)
N313—C341	1.26 (2)	Zn35—I310	2.516 (9)
N313—C337	1.34 (2)	Zn32—I303	2.539 (7)
N313—Zn34	2.036 (16)	Zn32—I304	2.546 (6)
N313—Zn12	2.58 (6)	I401—Zn41	2.59 (3)
N302—C308	1.33 (2)	I402—Zn41	2.48 (3)
N302—C306	1.35 (2)	C414—H414	0.9500
N318—C350	1.33 (3)	C314—H314	0.9500
N318—C354	1.31 (2)	C314—C315	1.42 (3)
N318—Zn46	2.029 (18)	C315—H315	0.9500
N319—C355	1.37 (2)	Zn42—I404	2.522 (12)
N319—C359	1.33 (2)	Zn42—I403	2.508 (11)
N319—Zn46	2.054 (17)	Zn34—I307	2.519 (6)
N315—C343	1.33 (2)	Zn34—I308	2.514 (6)
N315—C342	1.34 (2)	C372—H372	0.9500
N323—C365	1.27 (2)	C372—C371	1.41 (2)
N323—C366	1.35 (2)	C371—H371	0.9500
N323—Zn41^vi	2.08 (2)	C810—H81A	0.9900
N317—C348	1.29 (2)	C810—H81B	0.9900
N317—C347	1.29 (3)	C810—C811	1.526 (13)
N317—Zn35	2.066 (17)	C810—C809	1.531 (13)
C352—C344	1.48 (2)	C811—H81C	0.9900
C352—C351	1.38 (2)	C811—H81D	0.9900
C352—C353	1.37 (3)	C811—C812	1.529 (13)
C343—C345	1.49 (2)	C812—H81E	0.9900
C325—C327	1.492 (17)	C812—H81F	0.9900
C326—C334	1.492 (18)	C812—C807	1.531 (13)
C307—C309	1.487 (19)	C807—H80A	0.9900
C321—C324	1.444 (17)	C807—H80B	0.9900
C321—C322	1.398 (19)	C807—C808	1.528 (13)
C321—C320	1.39 (2)	C808—H80C	0.9900
C309—C313	1.37 (2)	C808—H80D	0.9900
C309—C310	1.34 (2)	C808—C809	1.533 (13)
C308—C316	1.44 (2)	C809—H80E	0.9900
C313—H313	0.9500	C809—H80F	0.9900
C313—C312	1.36 (2)	C4B—C5B	1.3900
C339—C342	1.51 (3)	C4B—C3B	1.3900
C339—C338	1.35 (3)	C4B—C7B	1.50 (2)
C339—C340	1.36 (2)	C5B—C6B	1.3900
C336—H336	0.9500	C5B—C13B	1.51 (2)
C336—C335	1.36 (2)	C6B—H6B	0.9500
C345—C349	1.34 (3)	C6B—C1B	1.3900
C345—C346	1.36 (3)	C1B—H1B	0.9500
C334—C335	1.39 (2)	C1B—C2B	1.3900
C334—C333	1.37 (2)	C2B—H2B	0.9500
C348—H348	0.9500	C2B—C3B	1.3900
C348—C349	1.44 (2)	C3B—H3B	0.9500
C319—H319	0.9500	C7B—C8B	1.3900
C319—C320	1.40 (2)	C7B—C12B	1.3900
C327—C331	1.364 (19)	C8B—C9B	1.3900
C327—C328	1.36 (2)	C8B—O2B	1.37 (2)
C331—H331	0.9500	C9B—H9B	0.9500
C331—C330	1.39 (2)	C9B—C10B	1.3900
C335—H335	0.9500	C10B—H10B	0.9500
C303—C306	1.48 (3)	C10B—C11B	1.3900
C303—C302	1.36 (3)	C11B—H11B	0.9500
C303—C304	1.39 (3)	C11B—C12B	1.3900
C316—C317	1.32 (3)	C12B—O3B	1.38 (2)
C316—C415	1.43 (3)	O3B—C15B	1.44 (2)
C316—C315	1.43 (3)	O2B—C14B	1.43 (2)
C363—C361	1.477 (19)	C816—H81G	0.9900
C363—C364	1.38 (2)	C816—H81H	0.9900
C363—C367	1.36 (2)	C816—C815	1.537 (14)
C362—C370	1.50 (2)	C816—C817	1.538 (14)
N301—C301	1.35 (3)	C815—H81I	0.9900
N301—C305	1.32 (3)	C815—H81J	0.9900
N301—Zn41	1.99 (3)	C815—C814	1.536 (13)
C360—C357	1.50 (2)	C814—H81K	0.9900
C322—H322	0.9500	C814—H81L	0.9900
C322—C323	1.38 (2)	C814—C813	1.535 (14)
C350—H350	0.9500	C813—H81M	0.9900
C350—C351	1.39 (3)	C813—H81N	0.9900
C312—H312	0.9500	C813—C818	1.538 (14)
C320—H320	0.9500	C818—H81O	0.9900
C370—C369	1.37 (2)	C818—H81P	0.9900
C370—C371	1.40 (2)	C818—C817	1.540 (13)
C310—H310	0.9500	C817—H81Q	0.9900
C310—C311	1.41 (2)	C817—H81R	0.9900
C349—H349	0.9500	I1—Zn12	2.69 (7)
C357—C356	1.37 (2)	I7—Zn12	2.23 (7)
C357—C358	1.38 (2)	C14B—H14D	0.9800
O2A—C8A	1.39 (3)	C14B—H14E	0.9800
O2A—C14A	1.43 (3)	C14B—H14F	0.9800
C364—H364	0.9500	C15B—H15D	0.9800
C364—C365	1.43 (2)	C15B—H15E	0.9800
C351—H351	0.9500	C15B—H15F	0.9800
C328—H328	0.9500	C802—H80G	0.9900
C328—C329	1.38 (2)	C802—H80H	0.9900
C355—H355	0.9500	C802—C803	1.530 (13)
C355—C356	1.41 (2)	C802—C801	1.535 (13)
C369—H369	0.9500	C803—H80I	0.9900
C369—C368	1.41 (2)	C803—H80J	0.9900
C359—H359	0.9500	C803—C804	1.531 (13)
C359—C358	1.34 (2)	C804—H80K	0.9900
C329—H329	0.9500	C804—H80L	0.9900
C323—H323	0.9500	C804—C805	1.534 (13)
C354—H354	0.9500	C805—H80M	0.9900
C354—C353	1.43 (2)	C805—H80N	0.9900
O3A—C12A	1.35 (3)	C805—C806	1.535 (13)
O3A—C15A	1.42 (3)	C806—H80O	0.9900
C333—H333	0.9500	C806—H80P	0.9900
C333—C332	1.37 (2)	C806—C801	1.536 (13)
C356—H356	0.9500	C801—H80Q	0.9900
C353—H353	0.9500	C801—H80R	0.9900
C332—H332	0.9500	O1B—H1BA	0.8400
C365—H365	0.9500	O1B—C13B	1.42 (2)
C358—H358	0.9500	C13B—H13C	0.9900
C368—H368	0.9500	C13B—H13D	0.9900
I306—Zn33—I305	127.4 (5)	N313—C337—H337	118.9
N305^i—Zn33—I306	105.0 (6)	C338—C337—H337	118.9
N305^i—Zn33—I305	106.6 (6)	C303—C302—C301	121 (2)
N311—Zn33—I306	107.0 (6)	C303—C302—H302	119.6
N311—Zn33—I305	110.3 (6)	C301—C302—H302	119.6
N311—Zn33—N305^i	95.7 (6)	C12A—C7A—C4A	119.8 (12)
I312—Zn36—I311	125.0 (3)	C8A—C7A—C12A	119.7 (10)
N318—Zn36—I311	107.6 (5)	C8A—C7A—C4A	120.4 (12)
N318—Zn36—I312	105.8 (6)	N317—C347—H347	117.6
N318—Zn36—N319	102.0 (6)	N317—C347—C346	125 (2)
N319—Zn36—I311	107.6 (5)	C346—C347—H347	117.6
N319—Zn36—I312	106.6 (6)	C5A—C4A—C7A	122.3 (13)
I410—Zn45—I409	129.3 (7)	C5A—C4A—C3A	120.0
N324^ii—Zn45—I410	104.9 (8)	C3A—C4A—C7A	117.6 (13)
N324^ii—Zn45—I409	104.9 (7)	C4A—C5A—C13A	119.2 (14)
N317—Zn45—I410	112.3 (8)	C6A—C5A—C4A	120.0
N317—Zn45—I409	104.9 (8)	C6A—C5A—C13A	120.7 (14)
N317—Zn45—N324^ii	95.1 (8)	C5A—C6A—H6A	120.0
I407—Zn44—I408	120.8 (5)	C1A—C6A—C5A	120.0
N312—Zn44—I408	108.3 (6)	C1A—C6A—H6A	120.0
N312—Zn44—I407	111.5 (7)	C6A—C1A—H1AA	120.0
N313—Zn44—I408	104.3 (7)	C6A—C1A—C2A	120.0
N313—Zn44—I407	108.7 (6)	C2A—C1A—H1AA	120.0
N313—Zn44—N312	101.3 (8)	C1A—C2A—H2A	120.0
I301—Zn31—I302	122.0 (3)	C3A—C2A—C1A	120.0
N323^iii—Zn31—I301	110.4 (5)	C3A—C2A—H2A	120.0
N323^iii—Zn31—I302	106.8 (5)	C4A—C3A—H3A	120.0
N301—Zn31—I301	105.3 (6)	C2A—C3A—C4A	120.0
N301—Zn31—I302	109.0 (7)	C2A—C3A—H3A	120.0
N301—Zn31—N323^iii	101.4 (7)	N324—C472—H472	120.0
C325—N309—C324	115.9 (11)	N324—C472—C371	120 (6)
C344—N316—C343	112.5 (15)	C371—C472—H472	120.0
C324—N308—C326	113.8 (11)	C12A—C11A—H11A	120.1
C326—N310—C325	113.7 (11)	C12A—C11A—C10A	119.8 (10)
C307—N304—C308	114.0 (13)	C10A—C11A—H11A	120.1
C312—N305—Zn33^iv	121.5 (13)	N301—C305—H305	120.1
C312—N305—Zn43^iv	122.6 (13)	N301—C305—C304	120 (2)
C311—N305—Zn33^iv	118.9 (12)	C304—C305—H305	120.1
C311—N305—C312	119.5 (15)	C7A—C8A—O2A	115.0 (13)
C311—N305—Zn43^iv	117.6 (12)	C7A—C8A—C9A	120.0 (10)
C344—N314—C342	114.1 (15)	C9A—C8A—O2A	125.0 (14)
C329—N311—Zn33	117.7 (11)	C345—C346—C347	118 (2)
C329—N311—C330	116.5 (13)	C345—C346—H346	121.1
C329—N311—Zn43	124.1 (11)	C347—C346—H346	121.1
C330—N311—Zn33	125.6 (10)	C11A—C10A—H10A	119.8
C330—N311—Zn43	119.4 (10)	C9A—C10A—C11A	120.3 (10)
C360—N321—C361	114.4 (13)	C9A—C10A—H10A	119.8
C361—N322—C362	112.6 (12)	C303—C304—H304	118.8
C362—N320—C360	113.7 (14)	C305—C304—C303	122 (2)
C336—N312—Zn44	122.1 (12)	C305—C304—H304	118.8
C336—N312—Zn34	121.4 (12)	C8A—C9A—H9A	120.1
C336—N312—Zn12	87.8 (19)	C10A—C9A—C8A	119.9 (10)
C332—N312—Zn44	119.1 (11)	C10A—C9A—H9A	120.1
C332—N312—C336	118.8 (14)	O2A—C14A—H14A	109.5
C332—N312—Zn34	119.7 (11)	O2A—C14A—H14B	109.5
C332—N312—Zn12	152.6 (19)	O2A—C14A—H14C	109.5
C319—N307—C323	117.6 (14)	H14A—C14A—H14B	109.5
C319—N307—Zn32	123.0 (12)	H14A—C14A—H14C	109.5
C319—N307—Zn42	123.7 (12)	H14B—C14A—H14C	109.5
C323—N307—Zn32	119.3 (11)	C316—C415—H415	121.5
C323—N307—Zn42	118.5 (11)	C414—C415—C316	117 (3)
C307—N303—C306	114.5 (14)	C414—C415—H415	121.5
C368—N324—Zn45^v	125.1 (11)	O1A—C13A—C5A	112.8 (19)
C368—N324—C472	115 (4)	O1A—C13A—H13A	109.0
C368—N324—Zn35^v	121.6 (11)	O1A—C13A—H13B	109.0
C368—N324—C372	117.7 (14)	C5A—C13A—H13A	109.0
C472—N324—Zn45^v	112 (3)	C5A—C13A—H13B	109.0
C472—N324—Zn35^v	119.2 (19)	H13A—C13A—H13B	107.8
C318—N306—Zn32	122.0 (15)	O3A—C15A—H15A	109.5
C318—N306—C414	110 (2)	O3A—C15A—H15B	109.5
C318—N306—C314	118.8 (18)	O3A—C15A—H15C	109.5
C318—N306—Zn42	121.4 (15)	H15A—C15A—H15B	109.5
C414—N306—Zn32	118.6 (16)	H15A—C15A—H15C	109.5
C314—N306—Zn42	117.4 (13)	H15B—C15A—H15C	109.5
C341—N313—Zn44	121.5 (14)	N305^i—Zn43—N311	106.1 (7)
C341—N313—C337	117.0 (18)	N305^i—Zn43—I406	116.9 (7)
C341—N313—Zn34	120.5 (14)	N305^i—Zn43—I405	106.7 (7)
C341—N313—Zn12	93.5 (19)	N311—Zn43—I406	100.8 (7)
C337—N313—Zn44	121.5 (14)	N311—Zn43—I405	104.3 (7)
C337—N313—Zn34	122.5 (13)	I406—Zn43—I405	120.2 (7)
C337—N313—Zn12	146.4 (19)	N318—Zn46—N319	102.9 (8)
C308—N302—C306	115.4 (14)	N318—Zn46—I411	110.3 (7)
C350—N318—Zn36	119.0 (12)	N318—Zn46—I412	108.9 (7)
C350—N318—Zn46	123.8 (12)	N319—Zn46—I411	99.7 (6)
C354—N318—Zn36	123.7 (15)	N319—Zn46—I412	107.0 (7)
C354—N318—C350	117.2 (16)	I412—Zn46—I411	125.4 (6)
C354—N318—Zn46	118.8 (15)	N324^ii—Zn35—N317	101.4 (7)
C355—N319—Zn36	121.2 (11)	N324^ii—Zn35—I309	111.3 (7)
C355—N319—Zn46	117.0 (11)	N324^ii—Zn35—I310	105.2 (6)
C359—N319—Zn36	122.8 (12)	N317—Zn35—I309	105.0 (7)
C359—N319—C355	115.9 (14)	N317—Zn35—I310	103.9 (8)
C359—N319—Zn46	126.6 (12)	I310—Zn35—I309	127.1 (5)
C343—N315—C342	112.9 (16)	N307—Zn32—N306	102.9 (6)
C365—N323—Zn31^vi	125.4 (12)	N307—Zn32—I303	108.7 (5)
C365—N323—C366	120.6 (15)	N307—Zn32—I304	104.4 (6)
C365—N323—Zn41^vi	112.8 (15)	N306—Zn32—I303	108.6 (5)
C366—N323—Zn31^vi	113.9 (12)	N306—Zn32—I304	104.7 (5)
C366—N323—Zn41^vi	126.0 (16)	I303—Zn32—I304	125.4 (4)
C348—N317—Zn45	118.4 (16)	N323^iii—Zn41—I401	113.5 (13)
C348—N317—Zn35	127.2 (16)	N323^iii—Zn41—I402	101.7 (12)
C347—N317—Zn45	124.7 (15)	N301—Zn41—N323^iii	105.3 (12)
C347—N317—C348	116.7 (17)	N301—Zn41—I401	115.2 (13)
C347—N317—Zn35	115.0 (14)	N301—Zn41—I402	99.6 (14)
C351—C352—C344	119.3 (16)	I402—Zn41—I401	119.5 (10)
C353—C352—C344	121.4 (14)	N306—C414—C415	121 (3)
C353—C352—C351	119.2 (16)	N306—C414—H414	119.4
N316—C343—C345	114.8 (16)	C415—C414—H414	119.4
N315—C343—N316	126.9 (15)	N306—C314—H314	118.8
N315—C343—C345	118.1 (15)	N306—C314—C315	122 (2)
N309—C325—N310	125.4 (11)	C315—C314—H314	118.8
N309—C325—C327	116.7 (12)	C316—C315—H315	121.9
N310—C325—C327	117.8 (11)	C314—C315—C316	116 (2)
N308—C326—C334	116.8 (12)	C314—C315—H315	121.9
N310—C326—N308	125.9 (13)	N307—Zn42—I404	105.9 (7)
N310—C326—C334	117.3 (12)	N307—Zn42—I403	108.3 (7)
N304—C307—C309	116.6 (15)	N306—Zn42—N307	103.1 (7)
N303—C307—N304	126.5 (13)	N306—Zn42—I404	109.2 (7)
N303—C307—C309	116.9 (13)	N306—Zn42—I403	104.3 (6)
C322—C321—C324	122.8 (13)	I403—Zn42—I404	124.1 (6)
C320—C321—C324	120.2 (13)	N312—Zn34—I307	108.5 (5)
C320—C321—C322	116.9 (13)	N312—Zn34—I308	107.1 (5)
N316—C344—C352	115.9 (16)	N313—Zn34—N312	102.6 (6)
N314—C344—N316	126.0 (16)	N313—Zn34—I307	107.0 (5)
N314—C344—C352	117.9 (14)	N313—Zn34—I308	109.2 (5)
N309—C324—N308	124.9 (12)	I308—Zn34—I307	120.9 (3)
N309—C324—C321	118.5 (12)	N324—C372—H372	118.2
N308—C324—C321	116.6 (12)	N324—C372—C371	124 (2)
C313—C309—C307	121.2 (14)	C371—C372—H372	118.2
C310—C309—C307	122.3 (16)	C370—C371—C472	113 (5)
C310—C309—C313	116.5 (15)	C370—C371—C372	115.1 (18)
N304—C308—C316	118.2 (15)	C370—C371—H371	123.7
N302—C308—N304	124.4 (14)	C472—C371—H371	123.7
N302—C308—C316	117.3 (14)	H81A—C810—H81B	107.8
C309—C313—H313	118.6	C811—C810—H81A	109.0
C312—C313—C309	122.7 (16)	C811—C810—H81B	109.0
C312—C313—H313	118.6	C811—C810—C809	113 (2)
C338—C339—C342	120.5 (15)	C809—C810—H81A	109.0
C338—C339—C340	118.6 (19)	C809—C810—H81B	109.0
C340—C339—C342	120.9 (17)	C810—C811—H81C	108.8
N312—C336—H336	118.4	C810—C811—H81D	108.8
N312—C336—C335	123.2 (15)	C810—C811—C812	114.0 (19)
C335—C336—H336	118.4	H81C—C811—H81D	107.7
C349—C345—C343	123.1 (16)	C812—C811—H81C	108.8
C349—C345—C346	118.1 (17)	C812—C811—H81D	108.8
C346—C345—C343	118.7 (19)	C811—C812—H81E	108.9
C335—C334—C326	122.7 (12)	C811—C812—H81F	108.9
C333—C334—C326	121.3 (13)	C811—C812—C807	113.4 (19)
C333—C334—C335	115.8 (13)	H81E—C812—H81F	107.7
N317—C348—H348	118.3	C807—C812—H81E	108.9
N317—C348—C349	123 (2)	C807—C812—H81F	108.9
C349—C348—H348	118.3	C812—C807—H80A	109.0
N307—C319—H319	117.6	C812—C807—H80B	109.0
N307—C319—C320	124.7 (17)	H80A—C807—H80B	107.8
C320—C319—H319	117.6	C808—C807—C812	113.1 (19)
C331—C327—C325	119.8 (13)	C808—C807—H80A	109.0
C328—C327—C325	121.8 (13)	C808—C807—H80B	109.0
C328—C327—C331	118.3 (13)	C807—C808—H80C	109.1
C327—C331—H331	120.9	C807—C808—H80D	109.1
C327—C331—C330	118.3 (13)	C807—C808—C809	112.3 (19)
C330—C331—H331	120.9	H80C—C808—H80D	107.9
C336—C335—C334	119.4 (14)	C809—C808—H80C	109.1
C336—C335—H335	120.3	C809—C808—H80D	109.1
C334—C335—H335	120.3	C810—C809—C808	111.6 (18)
C302—C303—C306	122.2 (18)	C810—C809—H80E	109.3
C302—C303—C304	115.9 (19)	C810—C809—H80F	109.3
C304—C303—C306	121.9 (18)	C808—C809—H80E	109.3
C317—C316—C308	121.6 (16)	C808—C809—H80F	109.3
C317—C316—C415	101 (2)	H80E—C809—H80F	108.0
C317—C316—C315	117.2 (17)	C5B—C4B—C3B	120.0
C415—C316—C308	121.7 (19)	C5B—C4B—C7B	121.1 (16)
C315—C316—C308	120.7 (18)	C3B—C4B—C7B	118.7 (16)
C364—C363—C361	121.7 (14)	C4B—C5B—C13B	120.7 (16)
C367—C363—C361	122.6 (14)	C6B—C5B—C4B	120.0
C367—C363—C364	115.6 (15)	C6B—C5B—C13B	119.3 (16)
N322—C362—C370	114.2 (14)	C5B—C6B—H6B	120.0
N320—C362—N322	126.7 (13)	C5B—C6B—C1B	120.0
N320—C362—C370	119.1 (14)	C1B—C6B—H6B	120.0
N321—C361—N322	125.4 (13)	C6B—C1B—H1B	120.0
N321—C361—C363	120.9 (14)	C2B—C1B—C6B	120.0
N322—C361—C363	113.7 (13)	C2B—C1B—H1B	120.0
C301—N301—Zn31	123.8 (15)	C1B—C2B—H2B	120.0
C301—N301—Zn41	113.5 (17)	C1B—C2B—C3B	120.0
C305—N301—Zn31	116.6 (16)	C3B—C2B—H2B	120.0
C305—N301—C301	119.4 (19)	C4B—C3B—H3B	120.0
C305—N301—Zn41	126.8 (18)	C2B—C3B—C4B	120.0
N321—C360—N320	126.8 (16)	C2B—C3B—H3B	120.0
N321—C360—C357	118.1 (14)	C8B—C7B—C4B	119.2 (16)
N320—C360—C357	115.1 (14)	C8B—C7B—C12B	120.0
C321—C322—H322	119.4	C12B—C7B—C4B	120.1 (16)
C323—C322—C321	121.2 (15)	C7B—C8B—C9B	120.0
C323—C322—H322	119.4	O2B—C8B—C7B	116 (5)
N318—C350—H350	117.1	O2B—C8B—C9B	124 (5)
N318—C350—C351	125.8 (19)	C8B—C9B—H9B	120.0
C351—C350—H350	117.1	C10B—C9B—C8B	120.0
N305—C312—C313	119.6 (18)	C10B—C9B—H9B	120.0
N305—C312—H312	120.2	C9B—C10B—H10B	120.0
C313—C312—H312	120.2	C9B—C10B—C11B	120.00 (6)
C321—C320—C319	118.1 (14)	C11B—C10B—H10B	120.0
C321—C320—H320	121.0	C10B—C11B—H11B	120.0
C319—C320—H320	121.0	C12B—C11B—C10B	120.0
C369—C370—C362	120.1 (15)	C12B—C11B—H11B	120.0
C369—C370—C371	121.4 (15)	C11B—C12B—C7B	120.0
C371—C370—C362	118.4 (14)	O3B—C12B—C7B	121 (4)
C309—C310—H310	119.4	O3B—C12B—C11B	119 (4)
C309—C310—C311	121.2 (19)	C12B—O3B—C15B	117 (3)
C311—C310—H310	119.4	C8B—O2B—C14B	117 (8)
C345—C349—C348	118.5 (18)	H81G—C816—H81H	108.1
C345—C349—H349	120.7	C815—C816—H81G	109.6
C348—C349—H349	120.7	C815—C816—H81H	109.6
C356—C357—C360	119.0 (16)	C815—C816—C817	110 (2)
C356—C357—C358	118.5 (16)	C817—C816—H81G	109.6
C358—C357—C360	122.5 (15)	C817—C816—H81H	109.6
C8A—O2A—C14A	117 (2)	C816—C815—H81I	109.3
N303—C306—N302	125.0 (17)	C816—C815—H81J	109.3
N303—C306—C303	117.6 (16)	H81I—C815—H81J	107.9
N302—C306—C303	117.4 (16)	C814—C815—C816	112 (2)
C363—C364—H364	119.6	C814—C815—H81I	109.3
C363—C364—C365	120.8 (17)	C814—C815—H81J	109.3
C365—C364—H364	119.6	C815—C814—H81K	109.3
C352—C351—C350	116.6 (19)	C815—C814—H81L	109.3
C352—C351—H351	121.7	H81K—C814—H81L	107.9
C350—C351—H351	121.7	C813—C814—C815	112 (2)
C327—C328—H328	119.9	C813—C814—H81K	109.3
C327—C328—C329	120.2 (14)	C813—C814—H81L	109.3
C329—C328—H328	119.9	C814—C813—H81M	109.3
N319—C355—H355	118.4	C814—C813—H81N	109.3
N319—C355—C356	123.3 (15)	C814—C813—C818	112 (2)
C356—C355—H355	118.4	H81M—C813—H81N	108.0
C370—C369—H369	121.5	C818—C813—H81M	109.3
C370—C369—C368	116.9 (16)	C818—C813—H81N	109.3
C368—C369—H369	121.5	C813—C818—H81O	109.4
N319—C359—H359	118.2	C813—C818—H81P	109.4
N319—C359—C358	123.6 (17)	C813—C818—C817	111 (2)
C358—C359—H359	118.2	H81O—C818—H81P	108.0
N311—C329—C328	123.2 (16)	C817—C818—H81O	109.4
N311—C329—H329	118.4	C817—C818—H81P	109.4
C328—C329—H329	118.4	C816—C817—C818	111 (2)
N307—C323—C322	121.3 (16)	C816—C817—H81Q	109.5
N307—C323—H323	119.4	C816—C817—H81R	109.5
C322—C323—H323	119.4	C818—C817—H81Q	109.5
N318—C354—H354	119.3	C818—C817—H81R	109.5
N318—C354—C353	121 (2)	H81Q—C817—H81R	108.1
C353—C354—H354	119.3	N312—Zn12—N313	82.0 (19)
C12A—O3A—C15A	120 (2)	N312—Zn12—I1	90 (2)
N314—C342—N315	127.5 (19)	N313—Zn12—I1	80.0 (19)
N314—C342—C339	116.1 (16)	I7—Zn12—N312	130 (3)
N315—C342—C339	116.4 (16)	I7—Zn12—N313	138 (3)
C334—C333—H333	119.5	I7—Zn12—I1	120 (3)
C334—C333—C332	121.0 (14)	O2B—C14B—H14D	109.5
C332—C333—H333	119.5	O2B—C14B—H14E	109.5
C357—C356—C355	117.5 (16)	O2B—C14B—H14F	109.5
C357—C356—H356	121.2	H14D—C14B—H14E	109.5
C355—C356—H356	121.2	H14D—C14B—H14F	109.5
C352—C353—C354	119.4 (18)	H14E—C14B—H14F	109.5
C352—C353—H353	120.3	O3B—C15B—H15D	109.5
C354—C353—H353	120.3	O3B—C15B—H15E	109.5
N312—C332—C333	121.8 (15)	O3B—C15B—H15F	109.5
N312—C332—H332	119.1	H15D—C15B—H15E	109.5
C333—C332—H332	119.1	H15D—C15B—H15F	109.5
N323—C365—C364	120.8 (16)	H15E—C15B—H15F	109.5
N323—C365—H365	119.6	H80G—C802—H80H	107.9
C364—C365—H365	119.6	C803—C802—H80G	109.3
C357—C358—H358	119.5	C803—C802—H80H	109.3
C359—C358—C357	121.1 (16)	C803—C802—C801	112 (2)
C359—C358—H358	119.5	C801—C802—H80G	109.3
N324—C368—C369	123.7 (16)	C801—C802—H80H	109.3
N324—C368—H368	118.1	C802—C803—H80I	109.1
C369—C368—H368	118.1	C802—C803—H80J	109.1
N311—C330—C331	123.5 (13)	C802—C803—C804	112.5 (19)
N311—C330—H330	118.3	H80I—C803—H80J	107.8
C331—C330—H330	118.3	C804—C803—H80I	109.1
N313—C341—H341	117.4	C804—C803—H80J	109.1
N313—C341—C340	125 (2)	C803—C804—H80K	109.0
C340—C341—H341	117.4	C803—C804—H80L	109.0
C339—C338—H338	120.2	C803—C804—C805	112.9 (19)
C339—C338—C337	119.6 (18)	H80K—C804—H80L	107.8
C337—C338—H338	120.2	C805—C804—H80K	109.0
C363—C367—H367	119.3	C805—C804—H80L	109.0
C363—C367—C366	121.4 (17)	C804—C805—H80M	109.2
C366—C367—H367	119.3	C804—C805—H80N	109.2
N301—C301—H301	119.2	C804—C805—C806	112.2 (18)
N301—C301—C302	121.7 (19)	H80M—C805—H80N	107.9
C302—C301—H301	119.2	C806—C805—H80M	109.2
N305—C311—C310	120.2 (17)	C806—C805—H80N	109.2
N305—C311—H311	119.9	C805—C806—H80O	109.4
C310—C311—H311	119.9	C805—C806—H80P	109.4
C316—C317—H317	118.6	C805—C806—C801	111.2 (18)
C316—C317—C318	122.7 (18)	H80O—C806—H80P	108.0
C318—C317—H317	118.6	C801—C806—H80O	109.4
N323—C366—C367	120.5 (16)	C801—C806—H80P	109.4
N323—C366—H366	119.7	C802—C801—C806	111.5 (19)
C367—C366—H366	119.7	C802—C801—H80Q	109.3
C13A—O1A—H1A	109.5	C802—C801—H80R	109.3
N306—C318—C317	119 (2)	C806—C801—H80Q	109.3
N306—C318—H318	120.3	C806—C801—H80R	109.3
C317—C318—H318	120.3	H80Q—C801—H80R	108.0
C339—C340—C341	117 (2)	C13B—O1B—H1BA	109.5
C339—C340—H340	121.4	C5B—C13B—H13C	109.4
C341—C340—H340	121.4	C5B—C13B—H13D	109.4
O3A—C12A—C7A	118.5 (10)	O1B—C13B—C5B	111 (3)
O3A—C12A—C11A	121.3 (11)	O1B—C13B—H13C	109.4
C11A—C12A—C7A	120.0 (10)	O1B—C13B—H13D	109.4
N313—C337—C338	122.2 (19)	H13C—C13B—H13D	108.0
Zn33^iv—N305—C312—C313	171.2 (11)	C323—N307—C319—C320	1 (3)
Zn33^iv—N305—C311—C310	−172.0 (15)	C354—N318—C350—C351	4 (3)
Zn33—N311—C329—C328	173.4 (18)	O3A—C12A—C7A—C4A	0 (3)
Zn33—N311—C330—C331	−172.1 (16)	O3A—C12A—C7A—C8A	−178 (2)
Zn36—N318—C350—C351	−173.3 (13)	O3A—C12A—C11A—C10A	178 (2)
Zn36—N318—C354—C353	171.4 (16)	C342—N314—C344—N316	−5 (2)
Zn36—N319—C355—C356	174.3 (19)	C342—N314—C344—C352	−178.9 (12)
Zn36—N319—C359—C358	−171.7 (18)	C342—N315—C343—N316	1.9 (19)
Zn45^v—N324—C368—C369	170.2 (17)	C342—N315—C343—C345	176.2 (12)
Zn45^v—N324—C472—C371	170 (13)	C342—C339—C338—C337	−178.0 (18)
Zn45—N317—C348—C349	175.3 (14)	C342—C339—C340—C341	178 (2)
Zn45—N317—C347—C346	−176 (2)	C333—C334—C335—C336	0 (3)
Zn44—N312—C336—C335	−179.8 (15)	C356—C357—C358—C359	0 (4)
Zn44—N312—C332—C333	−177.7 (17)	C353—C352—C344—N316	−1 (2)
Zn44—N313—C341—C340	177 (2)	C353—C352—C344—N314	173.3 (16)
Zn44—N313—C337—C338	−176.4 (17)	C353—C352—C351—C350	−6 (2)
Zn31^vi—N323—C365—C364	178.7 (15)	C332—N312—C336—C335	2 (3)
Zn31^vi—N323—C366—C367	−178.7 (18)	C365—N323—C366—C367	5 (3)
Zn31—N301—C301—C302	−172.0 (19)	C358—C357—C356—C355	2 (4)
Zn31—N301—C305—C304	174 (3)	C368—N324—C472—C371	−38 (23)
N309—C325—C327—C331	177.8 (16)	C368—N324—C372—C371	13 (10)
N309—C325—C327—C328	0 (2)	C330—N311—C329—C328	−2 (3)
N316—C343—C345—C349	2 (2)	C341—N313—C337—C338	5 (3)
N316—C343—C345—C346	179.8 (17)	C338—C339—C342—N314	161.4 (17)
N308—C326—C334—C335	170.8 (16)	C338—C339—C342—N315	−21 (2)
N308—C326—C334—C333	−14 (3)	C338—C339—C340—C341	−3 (3)
N310—C325—C327—C331	1 (2)	C367—C363—C361—N321	173 (2)
N310—C325—C327—C328	−176.9 (17)	C367—C363—C361—N322	−7 (3)
N310—C326—C334—C335	−8 (3)	C367—C363—C364—C365	0 (3)
N310—C326—C334—C333	166.6 (17)	C301—N301—C305—C304	−3 (5)
N304—C307—C309—C313	10 (2)	C311—N305—C312—C313	−5 (2)
N304—C307—C309—C310	−168.9 (15)	C317—C316—C415—C414	−49 (5)
N304—C308—C316—C317	21 (3)	C317—C316—C315—C314	0 (4)
N304—C308—C316—C415	151 (3)	C366—N323—C365—C364	−5 (3)
N304—C308—C316—C315	−152 (2)	C318—N306—C414—C415	28 (6)
N321—C360—C357—C356	−1 (3)	C318—N306—C314—C315	−23 (4)
N321—C360—C357—C358	179 (2)	C340—C339—C342—N314	−20 (2)
N322—C362—C370—C369	179.6 (19)	C340—C339—C342—N315	157.7 (17)
N322—C362—C370—C371	−2 (3)	C340—C339—C338—C337	3 (3)
N320—C362—C370—C369	−1 (3)	C12A—C7A—C4A—C5A	−70 (3)
N320—C362—C370—C371	177 (2)	C12A—C7A—C4A—C3A	106 (2)
N320—C360—C357—C356	176 (2)	C12A—C7A—C8A—O2A	177 (2)
N320—C360—C357—C358	−4 (3)	C12A—C7A—C8A—C9A	−2 (4)
N312—C336—C335—C334	−3 (3)	C12A—C11A—C10A—C9A	3 (4)
N307—C319—C320—C321	−3 (3)	C337—N313—C341—C340	−4 (4)
N303—C307—C309—C313	−169.9 (14)	C302—C303—C306—N303	−17 (3)
N303—C307—C309—C310	12 (2)	C302—C303—C306—N302	164 (2)
N324—C472—C371—C370	35 (22)	C302—C303—C304—C305	1 (4)
N324—C372—C371—C370	−15 (9)	C7A—C12A—C11A—C10A	−6 (4)
N306—C314—C315—C316	13 (5)	C7A—C4A—C5A—C6A	176.5 (15)
N313—C341—C340—C339	4 (4)	C7A—C4A—C5A—C13A	0 (2)
N302—C308—C316—C317	−161.5 (19)	C7A—C4A—C3A—C2A	−176.7 (14)
N302—C308—C316—C415	−31 (4)	C7A—C8A—C9A—C10A	−1 (4)
N302—C308—C316—C315	26 (3)	C347—N317—C348—C349	1 (3)
N318—C350—C351—C352	2 (3)	C4A—C7A—C8A—O2A	−1 (3)
N318—C354—C353—C352	2 (3)	C4A—C7A—C8A—C9A	180 (2)
N319—C355—C356—C357	−2 (4)	C4A—C5A—C6A—C1A	0.0
N319—C359—C358—C357	−4 (4)	C4A—C5A—C13A—O1A	−159.3 (17)
N315—C343—C345—C349	−172.9 (15)	C5A—C4A—C3A—C2A	0.0
N315—C343—C345—C346	5 (2)	C5A—C6A—C1A—C2A	0.0
N317—C348—C349—C345	−4 (3)	C6A—C5A—C13A—O1A	25 (3)
N317—C347—C346—C345	5 (4)	C6A—C1A—C2A—C3A	0.0
C343—N316—C344—N314	3.7 (19)	C1A—C2A—C3A—C4A	0.0
C343—N316—C344—C352	177.7 (11)	C3A—C4A—C5A—C6A	0.0
C343—N315—C342—N314	−3 (2)	C3A—C4A—C5A—C13A	−176 (2)
C343—N315—C342—C339	179.4 (12)	C472—N324—C368—C369	23 (12)
C343—C345—C349—C348	−175.4 (14)	C11A—C12A—C7A—C4A	−176 (2)
C343—C345—C346—C347	175 (2)	C11A—C12A—C7A—C8A	6 (4)
C325—N309—C324—N308	2 (2)	C11A—C10A—C9A—C8A	1 (4)
C325—N309—C324—C321	−176.4 (15)	C305—N301—C301—C302	4 (4)
C325—N310—C326—N308	7 (2)	C8A—C7A—C4A—C5A	108 (2)
C325—N310—C326—C334	−173.6 (14)	C8A—C7A—C4A—C3A	−75 (3)
C325—C327—C331—C330	−178.9 (17)	C346—C345—C349—C348	7 (3)
C325—C327—C328—C329	179.7 (18)	C304—C303—C306—N303	166 (2)
C326—N308—C324—N309	3 (2)	C304—C303—C306—N302	−13 (3)
C326—N308—C324—C321	−179.3 (15)	C304—C303—C302—C301	0 (4)
C326—N310—C325—N309	−2 (2)	C14A—O2A—C8A—C7A	−174 (2)
C326—N310—C325—C327	174.1 (14)	C14A—O2A—C8A—C9A	5 (4)
C326—C334—C335—C336	175.7 (17)	C415—C316—C317—C318	45 (3)
C326—C334—C333—C332	−173.3 (18)	C13A—C5A—C6A—C1A	176 (2)
C307—N304—C308—N302	−3 (2)	C15A—O3A—C12A—C7A	−177 (3)
C307—N304—C308—C316	174.7 (14)	C15A—O3A—C12A—C11A	−1 (4)
C307—N303—C306—N302	−2 (3)	Zn43^iv—N305—C312—C313	169.2 (12)
C307—N303—C306—C303	179.9 (16)	Zn43^iv—N305—C311—C310	−170.1 (16)
C307—C309—C313—C312	−176.6 (14)	Zn43—N311—C329—C328	−180.0 (17)
C307—C309—C310—C311	175.9 (17)	Zn43—N311—C330—C331	−179.1 (17)
C321—C322—C323—N307	−6 (3)	Zn46—N318—C350—C351	−172.6 (13)
C344—N316—C343—N315	−2.1 (19)	Zn46—N318—C354—C353	171.0 (16)
C344—N316—C343—C345	−176.5 (11)	Zn46—N319—C355—C356	172 (2)
C344—N314—C342—N315	5 (2)	Zn46—N319—C359—C358	−168.1 (18)
C344—N314—C342—C339	−178.0 (12)	Zn35^v—N324—C368—C369	179.6 (17)
C344—C352—C351—C350	177.3 (14)	Zn35^v—N324—C372—C371	−169 (5)
C344—C352—C353—C354	−179.1 (16)	Zn35—N317—C348—C349	168.3 (13)
C324—N309—C325—N310	−2 (2)	Zn35—N317—C347—C346	−171 (2)
C324—N309—C325—C327	−178.2 (14)	Zn32—N307—C319—C320	−174.1 (14)
C324—N308—C326—N310	−7 (3)	Zn32—N307—C323—C322	178.7 (17)
C324—N308—C326—C334	173.4 (15)	Zn32—N306—C318—C317	179.8 (17)
C324—C321—C322—C323	180.0 (19)	Zn32—N306—C414—C415	175 (4)
C324—C321—C320—C319	−175.9 (16)	Zn41^vi—N323—C365—C364	−176.7 (17)
C309—C313—C312—N305	2 (2)	Zn41^vi—N323—C366—C367	175.2 (19)
C309—C310—C311—N305	−1 (3)	Zn41—N301—C301—C302	178 (2)
C308—N304—C307—N303	5 (2)	Zn41—N301—C305—C304	−176 (2)
C308—N304—C307—C309	−174.6 (13)	C414—N306—C318—C317	−34 (4)
C308—N302—C306—N303	3 (3)	C314—N306—C318—C317	18 (3)
C308—N302—C306—C303	−178.5 (16)	C315—C316—C317—C318	−4 (4)
C308—C316—C317—C318	−177 (2)	Zn42—N307—C319—C320	−174.5 (15)
C308—C316—C415—C414	173 (4)	Zn42—N307—C323—C322	179.2 (17)
C308—C316—C315—C314	173 (3)	Zn42—N306—C318—C317	−179.8 (17)
C313—C309—C310—C311	−3 (3)	Zn42—N306—C314—C315	174 (3)
C339—C338—C337—N313	−4 (3)	Zn34—N312—C336—C335	179.7 (15)
C336—N312—C332—C333	0 (3)	Zn34—N312—C332—C333	−177.2 (16)
C334—C333—C332—N312	−3 (3)	Zn34—N313—C341—C340	177 (2)
C348—N317—C347—C346	−1 (4)	Zn34—N313—C337—C338	−176.8 (17)
C319—N307—C323—C322	3 (3)	C372—N324—C368—C369	−2 (6)
C327—C331—C330—N311	−1 (3)	C371—C370—C369—C368	2 (3)
C327—C328—C329—N311	0 (4)	C810—C811—C812—C807	46 (5)
C331—C327—C328—C329	2 (3)	C811—C810—C809—C808	52 (5)
C335—C334—C333—C332	2 (3)	C811—C812—C807—C808	−48 (5)
C316—C317—C318—N306	−5 (4)	C812—C807—C808—C809	52 (5)
C316—C415—C414—N306	16 (8)	C807—C808—C809—C810	−54 (5)
C363—C364—C365—N323	3 (3)	C809—C810—C811—C812	−49 (5)
C363—C367—C366—N323	−2 (4)	C4B—C5B—C6B—C1B	0.0
C362—N322—C361—N321	8 (3)	C4B—C5B—C13B—O1B	−60 (7)
C362—N322—C361—C363	−172.2 (17)	C4B—C7B—C8B—C9B	170 (4)
C362—N320—C360—N321	2 (3)	C4B—C7B—C8B—O2B	−11 (5)
C362—N320—C360—C357	−174.8 (18)	C4B—C7B—C12B—C11B	−170 (4)
C362—C370—C369—C368	−178.8 (19)	C4B—C7B—C12B—O3B	7 (5)
C362—C370—C371—C472	165 (10)	C5B—C4B—C3B—C2B	0.0
C362—C370—C371—C372	−172 (4)	C5B—C4B—C7B—C8B	103 (4)
C361—N321—C360—N320	1 (3)	C5B—C4B—C7B—C12B	−87 (4)
C361—N321—C360—C357	177.3 (18)	C5B—C6B—C1B—C2B	0.0
C361—N322—C362—N320	−5 (3)	C6B—C5B—C13B—O1B	120 (6)
C361—N322—C362—C370	174.0 (17)	C6B—C1B—C2B—C3B	0.0
C361—C363—C364—C365	−178.2 (19)	C1B—C2B—C3B—C4B	0.0
C361—C363—C367—C366	178 (2)	C3B—C4B—C5B—C6B	0.0
N301—C301—C302—C303	−3 (4)	C3B—C4B—C5B—C13B	180 (3)
N301—C305—C304—C303	0 (5)	C3B—C4B—C7B—C8B	−81 (4)
C360—N321—C361—N322	−6 (3)	C3B—C4B—C7B—C12B	89 (3)
C360—N321—C361—C363	174.0 (18)	C7B—C4B—C5B—C6B	176 (4)
C360—N320—C362—N322	0 (3)	C7B—C4B—C5B—C13B	−4 (4)
C360—N320—C362—C370	−178.5 (17)	C7B—C4B—C3B—C2B	−176 (4)
C360—C357—C356—C355	−177 (2)	C7B—C8B—C9B—C10B	0.0
C360—C357—C358—C359	180 (2)	C7B—C8B—O2B—C14B	−163 (10)
C322—C321—C324—N309	174.0 (17)	C7B—C12B—O3B—C15B	−179 (9)
C322—C321—C324—N308	−4 (3)	C8B—C7B—C12B—C11B	0.0
C322—C321—C320—C319	0 (3)	C8B—C7B—C12B—O3B	177 (4)
C350—N318—C354—C353	−6 (3)	C8B—C9B—C10B—C11B	0.0
C312—N305—C311—C310	5 (3)	C9B—C8B—O2B—C14B	16 (10)
C320—C321—C324—N309	−10 (3)	C9B—C10B—C11B—C12B	0.0
C320—C321—C324—N308	171.6 (16)	C10B—C11B—C12B—C7B	0.0
C320—C321—C322—C323	4 (3)	C10B—C11B—C12B—O3B	−177 (4)
C370—C369—C368—N324	−5 (3)	C11B—C12B—O3B—C15B	−2 (10)
C310—C309—C313—C312	2 (2)	C12B—C7B—C8B—C9B	0.0
C349—C345—C346—C347	−7 (3)	C12B—C7B—C8B—O2B	179 (3)
O2A—C8A—C9A—C10A	180 (2)	O2B—C8B—C9B—C10B	−179 (3)
C306—N303—C307—N304	−3 (2)	C816—C815—C814—C813	54 (5)
C306—N303—C307—C309	176.8 (14)	C815—C816—C817—C818	58 (5)
C306—N302—C308—N304	−1 (2)	C815—C814—C813—C818	−53 (5)
C306—N302—C308—C316	−178.4 (16)	C814—C813—C818—C817	55 (5)
C306—C303—C302—C301	−177 (2)	C813—C818—C817—C816	−57 (5)
C306—C303—C304—C305	178 (3)	C817—C816—C815—C814	−56 (5)
C364—C363—C361—N321	−9 (3)	Zn12—N312—C336—C335	−171 (2)
C364—C363—C361—N322	171.1 (19)	Zn12—N312—C332—C333	165 (4)
C364—C363—C367—C366	0 (3)	Zn12—N313—C341—C340	161 (3)
C351—C352—C344—N316	175.4 (13)	Zn12—N313—C337—C338	−149 (3)
C351—C352—C344—N314	−10 (2)	C802—C803—C804—C805	51 (5)
C351—C352—C353—C354	4 (3)	C803—C802—C801—C806	55 (5)
C328—C327—C331—C330	−1 (3)	C803—C804—C805—C806	−51 (5)
C355—N319—C359—C358	4 (3)	C804—C805—C806—C801	54 (4)
C369—C370—C371—C472	−16 (10)	C805—C806—C801—C802	−56 (4)
C369—C370—C371—C372	7 (5)	C801—C802—C803—C804	−53 (5)
C359—N319—C355—C356	−1 (3)	C13B—C5B—C6B—C1B	−180 (3)
C329—N311—C330—C331	3 (3)

Symmetry codes: (i) x+1/2, −y, z+1/2; (ii) x−1/2, −y+1, z−1/2; (iii) x, y−1, z−1; (iv) x−1/2, −y, z−1/2; (v) x+1/2, −y+1, z+1/2; (vi) x, y+1, z+1.

[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (50_10_48a)

Crystal data

C72H48I12N24Zn6·0.959(C15H16O3)·2.433(C6H12)	F(000) = 6820
Mr = 3602.84	Dx = 1.504 Mg m^−3
Monoclinic, P2/n	Cu Kα radiation, λ = 1.54184 Å
a = 31.5077 (5) Å	Cell parameters from 21257 reflections
b = 14.9991 (1) Å	θ = 2.6–74.4°
c = 34.4289 (6) Å	µ = 19.62 mm^−1
β = 102.086 (1)°	T = 100 K
V = 15910.0 (4) Å^3	Block, light yellow
Z = 4	0.28 × 0.17 × 0.07 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	29014 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	22573 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.041
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.1°
profile data from ω–scans	h = −37→37
Absorption correction: analytical CrysAlisPro 1.171.41.89a (Rigaku Oxford Diffraction, 2020) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −18→11
Tmin = 0.076, Tmax = 0.341	l = −41→41
105993 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.071	H-atom parameters constrained
wR(F^2) = 0.221	w = 1/[σ^2(Fo^2) + (0.1123P)^2 + 55.176P] where P = (Fo^2 + 2Fc^2)/3
S = 1.06	(Δ/σ)max = 0.004
29014 reflections	Δρmax = 0.95 e Å^−3
1990 parameters	Δρmin = −0.94 e Å^−3
1288 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). Exchange site B was located over a two-fold symmetry axis and was modelled in PART -1. Multiple solvent molecules were located over two-fold symmetry sites or were determined to have a low occupancy, these were modelled isotropic to prevent over-expansion of thermal ellipsoids. During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I306	0.38281 (15)	1.3868 (4)	0.2411 (4)	0.0921 (16)	0.54 (2)
I311	0.0884 (2)	0.9939 (5)	0.3502 (2)	0.0811 (14)	0.58 (5)
I302	0.70447 (7)	0.98172 (17)	0.01008 (7)	0.0678 (4)	0.5909
I305	0.4342 (3)	1.4785 (6)	0.1348 (3)	0.139 (2)	0.54 (2)
I403	0.60534 (10)	0.5042 (3)	0.36524 (10)	0.0818 (16)	0.47 (2)
I308	0.17200 (15)	0.5408 (3)	−0.00605 (12)	0.170 (2)	0.623 (11)
I307	0.27652 (6)	0.53676 (12)	0.10034 (8)	0.0859 (8)	0.623 (11)
I301	0.80167 (11)	0.9042 (2)	0.11742 (11)	0.0860 (7)	0.5909
I310	−0.14111 (10)	0.10394 (17)	0.22726 (10)	0.0972 (7)	0.757 (10)
I312	−0.01416 (14)	0.8345 (5)	0.3941 (2)	0.1000 (14)	0.69 (5)
I404	0.49832 (12)	0.6735 (4)	0.40027 (17)	0.0961 (14)	0.47 (2)
I309	−0.06810 (7)	0.00507 (13)	0.13493 (13)	0.1030 (11)	0.757 (10)
Zn33	0.4083 (5)	1.3557 (10)	0.1778 (7)	0.069 (3)	0.54 (2)
Zn32	0.57143 (4)	0.65227 (8)	0.37933 (3)	0.0770 (4)
Zn36	0.05266 (4)	0.84662 (8)	0.36843 (4)	0.0771 (4)
Zn34	0.20495 (5)	0.59627 (7)	0.06112 (4)	0.0822 (4)
Zn35	−0.10503 (15)	0.1232 (4)	0.16870 (15)	0.0713 (11)	0.757 (10)
Zn31	0.7282 (2)	0.8863 (6)	0.0712 (2)	0.0608 (9)	0.5909
N309	0.22993 (19)	1.1894 (3)	0.03899 (17)	0.0484 (13)
N308	0.24924 (19)	1.0586 (3)	0.07687 (17)	0.0494 (13)
N304	0.5380 (2)	0.9761 (4)	0.22943 (18)	0.0559 (14)
N310	0.1900 (2)	1.0565 (4)	0.02182 (18)	0.0539 (14)
N316	0.01725 (19)	0.5164 (4)	0.22084 (19)	0.0562 (15)
N306	0.4578 (2)	1.2576 (4)	0.1870 (2)	0.0624 (17)
N320	0.2232 (2)	0.7025 (4)	0.5206 (2)	0.0653 (18)
N314	0.0730 (2)	0.5989 (4)	0.20113 (19)	0.0590 (15)
N322	0.2446 (2)	0.5764 (4)	0.5615 (2)	0.0639 (17)
N307	0.3611 (2)	1.2840 (4)	0.1388 (2)	0.0646 (18)
N305	0.5678 (2)	0.7343 (5)	0.3305 (2)	0.0645 (17)
N315	0.0481 (2)	0.4661 (4)	0.1670 (2)	0.0645 (17)
N312	0.2092 (3)	0.7349 (4)	0.0592 (2)	0.0691 (18)
N321	0.1876 (2)	0.5642 (4)	0.5046 (2)	0.0672 (18)
N302	0.5680 (2)	1.0242 (4)	0.1756 (2)	0.0615 (16)
N313	0.1605 (3)	0.5787 (4)	0.0964 (2)	0.0734 (19)
N318	0.0447 (2)	0.7676 (5)	0.3187 (2)	0.0672 (18)
N311	0.1145 (2)	1.2801 (4)	−0.0774 (2)	0.070 (2)
N317	−0.0591 (2)	0.2263 (5)	0.1799 (3)	0.078 (2)
N323	0.2187 (3)	0.2491 (5)	0.5561 (3)	0.0728 (19)
N303	0.5947 (3)	0.8936 (5)	0.2108 (2)	0.0679 (18)
N319	0.1018 (3)	0.7822 (5)	0.4077 (2)	0.077 (2)
C325	0.1978 (2)	1.1432 (4)	0.0173 (2)	0.0489 (15)
N324	0.3497 (2)	0.8077 (4)	0.6248 (2)	0.076 (2)
C352	0.0440 (3)	0.6500 (5)	0.2566 (2)	0.0600 (19)
C324	0.2545 (2)	1.1443 (4)	0.0685 (2)	0.0480 (15)
C307	0.5663 (3)	0.9075 (5)	0.2335 (2)	0.0616 (19)
C308	0.5419 (2)	1.0327 (5)	0.2002 (2)	0.0552 (17)
C316	0.5138 (2)	1.1138 (5)	0.1964 (2)	0.0545 (17)
C343	0.0209 (3)	0.4583 (5)	0.1919 (2)	0.060 (2)
C334	0.2140 (2)	0.9191 (4)	0.0551 (2)	0.0526 (16)
C321	0.2912 (2)	1.1929 (4)	0.0938 (2)	0.0525 (17)
C326	0.2181 (2)	1.0172 (4)	0.0513 (2)	0.0510 (16)
C327	0.1685 (2)	1.1910 (5)	−0.0152 (2)	0.0541 (17)
C309	0.5667 (3)	0.8468 (5)	0.2664 (2)	0.0604 (19)
O3A	0.2554 (3)	0.9710 (6)	0.1854 (3)	0.086 (3)	0.7445
O2A	0.3918 (3)	0.9260 (6)	0.2668 (3)	0.079 (2)	0.7445
C333	0.2360 (3)	0.8724 (5)	0.0876 (3)	0.0609 (19)
H333	0.253494	0.903139	0.109374	0.073*
C345	−0.0060 (3)	0.3763 (5)	0.1889 (3)	0.063 (2)
N301	0.6788 (3)	0.9051 (5)	0.1037 (3)	0.087 (2)
C322	0.3181 (3)	1.1518 (5)	0.1250 (3)	0.065 (2)
H322	0.313277	1.091628	0.131445	0.078*
C339	0.1034 (3)	0.5519 (5)	0.1461 (3)	0.065 (2)
C317	0.4909 (3)	1.1356 (5)	0.2254 (3)	0.063 (2)
H317	0.494453	1.100896	0.248979	0.075*
C332	0.2325 (3)	0.7806 (5)	0.0884 (2)	0.063 (2)
H332	0.247751	0.749366	0.111033	0.075*
C362	0.2479 (3)	0.6618 (5)	0.5517 (3)	0.062 (2)
C303	0.6233 (3)	0.9370 (6)	0.1541 (3)	0.072 (2)
C360	0.1930 (3)	0.6503 (5)	0.4995 (3)	0.066 (2)
C344	0.0449 (3)	0.5853 (5)	0.2238 (2)	0.0584 (19)
C328	0.1776 (3)	1.2768 (5)	−0.0254 (2)	0.062 (2)
H328	0.202539	1.306788	−0.011003	0.075*
C306	0.5932 (3)	0.9519 (5)	0.1816 (3)	0.066 (2)
C369	0.2896 (3)	0.8024 (6)	0.5703 (3)	0.072 (2)
H369	0.271497	0.832641	0.548800	0.087*
C318	0.4631 (2)	1.2067 (5)	0.2202 (2)	0.0592 (18)
H318	0.447392	1.220632	0.240068	0.071*
C351	0.0684 (3)	0.7259 (6)	0.2597 (3)	0.069 (2)
H351	0.085546	0.739442	0.240849	0.083*
C363	0.2151 (3)	0.4318 (5)	0.5427 (3)	0.0621 (19)
C370	0.2833 (3)	0.7142 (5)	0.5773 (3)	0.064 (2)
C357	0.1616 (3)	0.6963 (5)	0.4664 (3)	0.073 (2)
C350	0.0674 (3)	0.7826 (6)	0.2915 (3)	0.076 (3)
H350	0.084250	0.835630	0.293596	0.092*
C320	0.2997 (3)	1.2805 (5)	0.0856 (3)	0.072 (3)
H320	0.281419	1.310761	0.064167	0.087*
C348	−0.0585 (3)	0.2825 (6)	0.2092 (3)	0.075 (3)
H348	−0.076726	0.270736	0.227373	0.090*
C335	0.1887 (3)	0.8702 (5)	0.0258 (3)	0.072 (2)
H335	0.171753	0.899578	0.003319	0.087*
C336	0.1873 (4)	0.7792 (5)	0.0283 (3)	0.079 (3)
H336	0.170006	0.746750	0.007104	0.094*
C349	−0.0324 (3)	0.3583 (6)	0.2151 (3)	0.073 (3)
H349	−0.032920	0.397081	0.236814	0.088*
C329	0.1503 (3)	1.3189 (5)	−0.0568 (2)	0.068 (2)
H329	0.157316	1.377439	−0.063860	0.081*
C342	0.0726 (3)	0.5387 (5)	0.1733 (2)	0.062 (2)
C323	0.3526 (3)	1.1992 (5)	0.1470 (3)	0.075 (3)
H323	0.370928	1.170558	0.168896	0.090*
C331	0.1313 (3)	1.1505 (5)	−0.0370 (3)	0.079 (3)
H331	0.123825	1.091401	−0.031165	0.095*
C361	0.2153 (3)	0.5298 (5)	0.5359 (3)	0.063 (2)
C315	0.5095 (3)	1.1678 (6)	0.1643 (3)	0.078 (3)
H315	0.525822	1.156576	0.144488	0.094*
C353	0.0175 (4)	0.6371 (6)	0.2828 (3)	0.079 (3)
H353	−0.001971	0.588051	0.279674	0.095*
O1A	0.2903 (3)	0.7585 (7)	0.3065 (3)	0.091 (3)	0.7445
H1A	0.300932	0.761587	0.330913	0.137*	0.7445
C319	0.3345 (3)	1.3235 (5)	0.1084 (3)	0.078 (3)
H319	0.339974	1.383681	0.102377	0.093*
C364	0.1913 (3)	0.3739 (6)	0.5164 (3)	0.078 (3)
H364	0.172625	0.395231	0.492875	0.093*
C358	0.1659 (3)	0.7855 (6)	0.4589 (3)	0.079 (3)
H358	0.189236	0.819040	0.473963	0.095*
C340	0.1385 (4)	0.6069 (7)	0.1570 (4)	0.089 (3)
H340	0.143833	0.637137	0.181828	0.107*
C365	0.1946 (3)	0.2823 (6)	0.5244 (3)	0.081 (3)
H365	0.178310	0.242528	0.505593	0.097*
C313	0.5331 (3)	0.8395 (7)	0.2842 (4)	0.090 (3)
H313	0.507643	0.873602	0.274700	0.108*
C355	0.0984 (3)	0.6944 (6)	0.4149 (3)	0.091 (3)
H355	0.074750	0.662447	0.399446	0.109*
C368	0.3236 (3)	0.8472 (5)	0.5959 (3)	0.073 (2)
H368	0.327505	0.909031	0.591765	0.088*
C354	0.0193 (4)	0.6965 (6)	0.3143 (3)	0.081 (3)
H354	0.001702	0.685595	0.333069	0.097*
C356	0.1277 (3)	0.6480 (6)	0.4437 (3)	0.088 (3)
H356	0.124633	0.585812	0.447653	0.106*
C367	0.2410 (4)	0.3965 (6)	0.5765 (3)	0.082 (3)
H367	0.258095	0.434479	0.595731	0.099*
C330	0.1052 (3)	1.1984 (6)	−0.0676 (3)	0.086 (3)
H330	0.079511	1.171103	−0.082033	0.103*
C359	0.1360 (3)	0.8252 (6)	0.4296 (3)	0.082 (3)
H359	0.139661	0.886582	0.424309	0.099*
C366	0.2419 (4)	0.3050 (6)	0.5821 (3)	0.085 (3)
H366	0.259842	0.281296	0.605452	0.102*
C304	0.6184 (4)	0.9791 (7)	0.1184 (3)	0.091 (3)
H304	0.595395	1.020456	0.110518	0.110*
C312	0.5349 (3)	0.7816 (7)	0.3170 (3)	0.087 (3)
H312	0.510572	0.778273	0.329259	0.105*
C314	0.4810 (4)	1.2402 (7)	0.1604 (3)	0.086 (3)
H314	0.478344	1.277856	0.137785	0.104*
C341	0.1662 (4)	0.6170 (7)	0.1306 (4)	0.094 (3)
H341	0.190789	0.654636	0.138218	0.113*
C371	0.3097 (4)	0.6724 (6)	0.6086 (4)	0.109 (5)
H371	0.305308	0.611983	0.615036	0.131*
C305	0.6462 (4)	0.9625 (8)	0.0941 (4)	0.101 (4)
H305	0.642209	0.992785	0.069400	0.122*
C1A	0.3176 (2)	0.6738 (3)	0.1976 (3)	0.086 (4)	0.7445
H1AA	0.316628	0.612206	0.191124	0.103*	0.7445
C2A	0.3234 (2)	0.7368 (5)	0.1695 (2)	0.080 (4)	0.7445
H2A	0.326373	0.718136	0.143862	0.096*	0.7445
C3A	0.3248 (2)	0.8270 (4)	0.1790 (2)	0.070 (3)	0.7445
H3A	0.328711	0.869963	0.159800	0.084*	0.7445
C4A	0.3204 (3)	0.8542 (3)	0.2165 (2)	0.064 (3)	0.7445
C5A	0.3146 (3)	0.7913 (5)	0.2446 (2)	0.079 (4)	0.7445
C6A	0.3132 (3)	0.7011 (4)	0.2351 (3)	0.098 (5)	0.7445
H6A	0.309219	0.658105	0.254324	0.117*	0.7445
C337	0.1260 (4)	0.5265 (8)	0.0853 (4)	0.092 (3)
H337	0.121221	0.498476	0.060054	0.111*
C7A	0.3236 (3)	0.9525 (6)	0.2261 (3)	0.066 (3)	0.7445
C338	0.0967 (4)	0.5120 (8)	0.1098 (3)	0.093 (3)
H338	0.072229	0.474560	0.101215	0.111*
C347	−0.0329 (4)	0.2436 (8)	0.1550 (4)	0.107 (4)
H347	−0.033299	0.204085	0.133393	0.129*
C346	−0.0051 (4)	0.3158 (7)	0.1590 (4)	0.097 (3)
H346	0.014254	0.323495	0.141532	0.117*
C372	0.3430 (4)	0.7229 (6)	0.6305 (4)	0.118 (5)
H372	0.362646	0.693717	0.651275	0.141*
C12A	0.2902 (5)	1.0106 (6)	0.2093 (4)	0.082 (4)	0.7445
C302	0.6570 (5)	0.8752 (9)	0.1640 (4)	0.110 (4)
H302	0.661530	0.843155	0.188295	0.132*
C8A	0.3606 (4)	0.9866 (7)	0.2510 (4)	0.078 (4)	0.7445
C301	0.6838 (5)	0.8620 (9)	0.1371 (4)	0.113 (5)
H301	0.706704	0.819790	0.143421	0.135*
C9A	0.3640 (5)	1.0781 (7)	0.2587 (4)	0.102 (6)	0.7445
H9A	0.389338	1.101798	0.275431	0.123*	0.7445
C10A	0.3305 (5)	1.1332 (8)	0.2421 (4)	0.104 (6)	0.7445
H10A	0.332955	1.195261	0.247701	0.125*	0.7445
C11A	0.2936 (5)	1.1019 (7)	0.2175 (4)	0.092 (5)	0.7445
H11A	0.270837	1.141404	0.206196	0.110*	0.7445
C15A	0.2177 (6)	1.0255 (12)	0.1704 (5)	0.110 (6)	0.7445
H15A	0.224584	1.068709	0.151308	0.166*	0.7445
H15B	0.209326	1.057264	0.192536	0.166*	0.7445
H15C	0.193673	0.987441	0.157301	0.166*	0.7445
C13A	0.3110 (6)	0.8211 (9)	0.2860 (4)	0.103 (5)	0.7445
H13A	0.340501	0.832709	0.301776	0.123*	0.7445
H13B	0.294643	0.877850	0.283796	0.123*	0.7445
C310	0.6023 (5)	0.7951 (12)	0.2816 (5)	0.144 (7)
H310	0.626759	0.794810	0.269423	0.173*
C311	0.6019 (5)	0.7433 (11)	0.3148 (5)	0.146 (7)
H311	0.627789	0.712868	0.326856	0.175*
C14A	0.4302 (5)	0.9582 (12)	0.2921 (7)	0.132 (8)	0.7445
H14A	0.445575	0.998005	0.277143	0.197*	0.7445
H14B	0.449059	0.907860	0.302480	0.197*	0.7445
H14C	0.422607	0.991074	0.314324	0.197*	0.7445
I405	0.43944 (12)	1.4619 (3)	0.12760 (18)	0.0859 (13)	0.46 (2)
Zn43	0.4127 (6)	1.3553 (13)	0.1712 (8)	0.068 (4)	0.46 (2)
I406	0.3811 (2)	1.3932 (5)	0.2312 (4)	0.0947 (18)	0.46 (2)
I409	−0.06268 (16)	0.0255 (4)	0.1116 (4)	0.105 (2)	0.243 (10)
Zn45	−0.0983 (6)	0.1295 (11)	0.1558 (5)	0.074 (3)	0.243 (10)
I410	−0.1271 (3)	0.0875 (6)	0.2166 (3)	0.091 (2)	0.243 (10)
I402	0.68775 (17)	0.9700 (3)	−0.00212 (15)	0.1166 (17)	0.3626
Zn41	0.7159 (4)	0.8876 (10)	0.0623 (4)	0.096 (4)	0.3626
I401	0.7932 (2)	0.9143 (4)	0.1047 (2)	0.134 (2)	0.3626
I303	0.6083 (2)	0.5143 (4)	0.36245 (18)	0.190 (4)	0.53 (2)
I304	0.5013 (2)	0.6529 (8)	0.40064 (17)	0.166 (3)	0.53 (2)
I407	0.2803 (2)	0.5467 (4)	0.0942 (3)	0.218 (5)	0.377 (11)
I408	0.17178 (11)	0.5339 (3)	−0.00785 (10)	0.0744 (12)	0.377 (11)
C4B	0.7342 (12)	0.7598 (15)	0.2624 (10)	0.105 (8)	0.2148
C5B	0.7593 (11)	0.7682 (17)	0.2339 (9)	0.102 (8)	0.2148
C6B	0.7741 (12)	0.852 (2)	0.2252 (10)	0.108 (10)	0.2148
H6B	0.791258	0.857427	0.205683	0.130*	0.2148
C1B	0.7638 (15)	0.9267 (16)	0.2450 (11)	0.114 (12)	0.2148
H1B	0.773930	0.983728	0.239123	0.137*	0.2148
C2B	0.7387 (15)	0.9183 (16)	0.2736 (10)	0.104 (11)	0.2148
H2B	0.731670	0.969535	0.287159	0.125*	0.2148
C3B	0.7239 (13)	0.8348 (19)	0.2823 (9)	0.115 (11)	0.2148
H3B	0.706737	0.829041	0.301756	0.138*	0.2148
C7B	0.7231 (9)	0.6694 (16)	0.2753 (8)	0.117 (10)	0.2148
C12B	0.6843 (9)	0.6304 (19)	0.2564 (8)	0.116 (11)	0.2148
C11B	0.6738 (10)	0.545 (2)	0.2670 (10)	0.123 (12)	0.2148
H11B	0.647192	0.518357	0.254049	0.147*	0.2148
C10B	0.7021 (13)	0.4987 (18)	0.2965 (11)	0.130 (13)	0.2148
H10B	0.694943	0.440397	0.303694	0.156*	0.2148
C9B	0.7410 (11)	0.538 (2)	0.3153 (9)	0.115 (11)	0.2148
H9B	0.760370	0.506128	0.335504	0.138*	0.2148
C8B	0.7515 (8)	0.6231 (19)	0.3048 (7)	0.099 (9)	0.2148
I411	0.0784 (11)	0.9924 (7)	0.3566 (8)	0.111 (4)	0.42 (5)
O2B	0.7884 (10)	0.664 (2)	0.3240 (8)	0.112 (10)	0.2148
O3B	0.6609 (11)	0.680 (2)	0.2257 (10)	0.125 (11)	0.2148
C805	0.5845 (15)	0.800 (4)	−0.0474 (14)	0.138 (13)	0.3133
H80A	0.615314	0.818451	−0.043673	0.166*	0.3133
H80B	0.578444	0.752044	−0.067468	0.166*	0.3133
C801	0.5592 (19)	0.938 (4)	−0.0310 (11)	0.147 (14)	0.3133
H80C	0.534336	0.978562	−0.040049	0.176*	0.3133
H80D	0.586249	0.972167	−0.029866	0.176*	0.3133
C803	0.5848 (15)	0.835 (3)	0.0174 (14)	0.125 (12)	0.3133
H80E	0.615682	0.853229	0.021064	0.150*	0.3133
H80F	0.579845	0.809908	0.042568	0.150*	0.3133
C806	0.5573 (19)	0.870 (3)	−0.0574 (14)	0.148 (14)	0.3133
H80G	0.527298	0.846785	−0.063089	0.178*	0.3133
H80H	0.562729	0.895570	−0.082428	0.178*	0.3133
I412	−0.0184 (7)	0.814 (2)	0.4020 (8)	0.131 (4)	0.31 (5)
C823	0.491 (2)	0.748 (4)	0.5460 (15)	0.19 (2)	0.2823
H82A	0.480045	0.809837	0.541051	0.234*	0.2823
H82B	0.510235	0.746458	0.572947	0.234*	0.2823
C822	0.455 (3)	0.685 (3)	0.5435 (16)	0.21 (2)	0.2823
H82C	0.434513	0.694852	0.517971	0.253*	0.2823
H82D	0.439970	0.698447	0.565149	0.253*	0.2823
C821	0.469 (2)	0.591 (3)	0.5462 (15)	0.19 (2)	0.2823
H82E	0.484857	0.576878	0.573277	0.234*	0.2823
H82F	0.442823	0.551735	0.539758	0.234*	0.2823
C819	0.535 (2)	0.634 (3)	0.5175 (17)	0.20 (2)	0.2823
H81A	0.557465	0.624027	0.541905	0.240*	0.2823
H81B	0.547652	0.621828	0.493934	0.240*	0.2823
C820	0.496 (2)	0.579 (4)	0.5171 (18)	0.20 (2)	0.2823
H82G	0.477288	0.585896	0.490486	0.240*	0.2823
H82H	0.506005	0.516050	0.519230	0.240*	0.2823
C824	0.517 (3)	0.724 (3)	0.5162 (15)	0.19 (2)	0.2823
H82I	0.497597	0.732291	0.489697	0.229*	0.2823
H82J	0.540785	0.766866	0.518428	0.229*	0.2823
C804	0.5742 (18)	0.776 (4)	−0.0127 (14)	0.157 (15)	0.3133
H80I	0.588817	0.718608	−0.004110	0.189*	0.3133
H80J	0.542489	0.765098	−0.017585	0.189*	0.3133
C802	0.5580 (17)	0.906 (4)	0.0057 (13)	0.141 (13)	0.3133
H80K	0.527899	0.888506	0.006142	0.169*	0.3133
H80L	0.566182	0.955173	0.025189	0.169*	0.3133
C15B	0.624 (2)	0.637 (5)	0.2015 (19)	0.143 (18)	0.2148
H15D	0.626147	0.638441	0.173669	0.214*	0.2148
H15E	0.597237	0.669379	0.204319	0.214*	0.2148
H15F	0.621892	0.575505	0.210195	0.214*	0.2148
C14B	0.8196 (19)	0.612 (5)	0.3518 (19)	0.16 (2)	0.2148
H14D	0.841192	0.586988	0.338122	0.243*	0.2148
H14E	0.804601	0.563835	0.362522	0.243*	0.2148
H14F	0.834224	0.650603	0.373579	0.243*	0.2148
O1B	0.8006 (18)	0.689 (4)	0.1933 (17)	0.20 (2)	0.2148
H1BA	0.819483	0.650905	0.202646	0.297*	0.2148
C13B	0.7660 (15)	0.683 (2)	0.2128 (14)	0.132 (13)	0.2148
H13C	0.771569	0.634080	0.232374	0.159*	0.2148
H13D	0.739088	0.668932	0.193208	0.159*	0.2148
C851	0.0572 (19)	0.627 (4)	−0.027 (2)	0.16 (2)	0.1762
H85A	0.058372	0.564782	−0.035635	0.192*	0.1762
H85B	0.072184	0.630815	0.001386	0.192*	0.1762
C852	0.0095 (16)	0.656 (5)	−0.031 (2)	0.16 (2)	0.1762
H85C	−0.003882	0.619349	−0.012631	0.193*	0.1762
H85D	−0.006538	0.643823	−0.058366	0.193*	0.1762
C853	0.0058 (17)	0.755 (5)	−0.021 (2)	0.15 (2)	0.1762
H85E	0.019121	0.765602	0.007105	0.186*	0.1762
H85F	−0.025190	0.771966	−0.025573	0.186*	0.1762
C854	0.0287 (17)	0.814 (4)	−0.0474 (17)	0.14 (2)	0.1762
H85G	0.013458	0.807961	−0.075541	0.173*	0.1762
H85H	0.027057	0.877061	−0.039620	0.173*	0.1762
C849	0.0767 (15)	0.787 (4)	−0.0433 (17)	0.15 (2)	0.1762
H84A	0.089660	0.822246	−0.062131	0.175*	0.1762
H84B	0.092780	0.800575	−0.016069	0.175*	0.1762
C850	0.0812 (18)	0.687 (5)	−0.0517 (18)	0.15 (2)	0.1762
H85I	0.112394	0.670908	−0.045864	0.183*	0.1762
H85J	0.069558	0.675491	−0.080276	0.183*	0.1762
C839	0.6296 (17)	0.404 (3)	0.2441 (15)	0.119 (14)	0.1871
H83A	0.656067	0.366652	0.248470	0.143*	0.1871
H83B	0.615634	0.395178	0.266975	0.143*	0.1871
C840	0.5986 (19)	0.372 (3)	0.2065 (16)	0.126 (15)	0.1871
H84C	0.615238	0.362415	0.185419	0.151*	0.1871
H84D	0.586270	0.313738	0.212022	0.151*	0.1871
C841	0.5613 (14)	0.436 (4)	0.1910 (16)	0.134 (15)	0.1871
H84E	0.540544	0.434672	0.208907	0.161*	0.1871
H84F	0.545791	0.416366	0.164380	0.161*	0.1871
C842	0.5766 (17)	0.532 (4)	0.1880 (16)	0.136 (15)	0.1871
H84G	0.551079	0.572084	0.180657	0.163*	0.1871
H84H	0.593459	0.536433	0.166767	0.163*	0.1871
C837	0.6049 (18)	0.564 (3)	0.2273 (18)	0.133 (15)	0.1871
H83C	0.616312	0.624322	0.223487	0.159*	0.1871
H83D	0.586708	0.569021	0.247404	0.159*	0.1871
C838	0.6431 (15)	0.502 (4)	0.2431 (16)	0.124 (15)	0.1871
H83E	0.664817	0.507658	0.226234	0.149*	0.1871
H83F	0.657175	0.520729	0.270368	0.149*	0.1871
C832	0.4777 (13)	0.964 (4)	0.436 (3)	0.18 (2)	0.2022
H83G	0.484242	0.946403	0.464124	0.217*	0.2022
H83H	0.502233	1.000381	0.430741	0.217*	0.2022
C831	0.4726 (16)	0.880 (4)	0.409 (3)	0.176 (19)	0.2022
H83I	0.499913	0.845363	0.414933	0.212*	0.2022
H83J	0.466232	0.897525	0.381118	0.212*	0.2022
C836	0.4351 (17)	0.823 (3)	0.419 (3)	0.175 (19)	0.2022
H83K	0.432712	0.766946	0.403297	0.210*	0.2022
H83L	0.440914	0.808170	0.447259	0.210*	0.2022
C835	0.3928 (13)	0.876 (4)	0.407 (2)	0.151 (18)	0.2022
H83M	0.386390	0.887999	0.378343	0.181*	0.2022
H83N	0.368615	0.840465	0.413434	0.181*	0.2022
C834	0.3956 (14)	0.965 (4)	0.430 (2)	0.159 (19)	0.2022
H83O	0.395855	0.952860	0.457967	0.191*	0.2022
H83P	0.369412	1.000702	0.418787	0.191*	0.2022
C833	0.4359 (17)	1.019 (3)	0.427 (3)	0.168 (19)	0.2022
H83Q	0.438760	1.069689	0.445777	0.202*	0.2022
H83R	0.432164	1.044556	0.399743	0.202*	0.2022
C856	0.3637 (8)	0.764 (3)	−0.1403 (8)	0.080*	0.2375
H85K	0.380255	0.819948	−0.139123	0.096*	0.2375
H85L	0.384268	0.713230	−0.138461	0.096*	0.2375
C855	0.3399 (11)	0.760 (2)	−0.1059 (8)	0.080*	0.2375
H85M	0.323935	0.702514	−0.106931	0.096*	0.2375
H85N	0.361314	0.761904	−0.080364	0.096*	0.2375
C860	0.3082 (11)	0.836 (2)	−0.1077 (7)	0.080*	0.2375
H86A	0.324894	0.891726	−0.099565	0.096*	0.2375
H86B	0.289770	0.825376	−0.088180	0.096*	0.2375
C859	0.2789 (9)	0.852 (3)	−0.1481 (8)	0.080*	0.2375
H85O	0.254053	0.810175	−0.151167	0.096*	0.2375
H85P	0.267135	0.913176	−0.148851	0.096*	0.2375
C858	0.3003 (11)	0.840 (2)	−0.1832 (7)	0.080*	0.2375
H85Q	0.317516	0.893996	−0.185918	0.096*	0.2375
H85R	0.277524	0.834189	−0.207661	0.096*	0.2375
C857	0.3300 (10)	0.758 (2)	−0.1794 (8)	0.080*	0.2375
H85S	0.344940	0.756583	−0.202000	0.096*	0.2375
H85T	0.312620	0.703378	−0.179955	0.096*	0.2375
C843	0.421 (3)	0.842 (4)	−0.0198 (17)	0.19 (3)	0.1672
H84I	0.417277	0.903212	−0.010426	0.230*	0.1672
H84J	0.427802	0.802431	0.003745	0.230*	0.1672
C844	0.460 (2)	0.841 (4)	−0.041 (2)	0.19 (3)	0.1672
H84K	0.486733	0.858787	−0.021694	0.230*	0.1672
H84L	0.454785	0.884486	−0.062826	0.230*	0.1672
C845	0.466 (2)	0.747 (5)	−0.057 (2)	0.20 (3)	0.1672
H84M	0.473442	0.704546	−0.034599	0.235*	0.1672
H84N	0.489854	0.747833	−0.071420	0.235*	0.1672
C846	0.424 (3)	0.717 (5)	−0.0851 (18)	0.19 (3)	0.1672
H84O	0.427649	0.656125	−0.095072	0.228*	0.1672
H84P	0.416984	0.757542	−0.108229	0.228*	0.1672
C847	0.385 (2)	0.717 (4)	−0.064 (2)	0.19 (3)	0.1672
H84Q	0.391451	0.673816	−0.041121	0.225*	0.1672
H84R	0.358616	0.697581	−0.082052	0.225*	0.1672
C848	0.379 (2)	0.811 (4)	−0.0477 (18)	0.17 (3)	0.1672
H84S	0.371579	0.852847	−0.070282	0.207*	0.1672
H84T	0.355312	0.810290	−0.033234	0.207*	0.1672
C861	0.2355 (11)	0.4955 (16)	0.2433 (7)	0.080*	0.2481
H86C	0.204097	0.497899	0.243195	0.096*	0.2481
H86D	0.249513	0.547495	0.258465	0.096*	0.2481
C862	0.2545 (13)	0.4103 (18)	0.2638 (6)	0.080*	0.2481
H86E	0.286594	0.413966	0.269502	0.096*	0.2481
H86F	0.245239	0.404152	0.289440	0.096*	0.2481
C863	0.2400 (12)	0.3292 (16)	0.2384 (7)	0.080*	0.2481
H86G	0.209071	0.317935	0.238375	0.096*	0.2481
H86H	0.256751	0.277010	0.250928	0.096*	0.2481
C864	0.2453 (12)	0.3356 (17)	0.1957 (7)	0.080*	0.2481
H86I	0.231436	0.283142	0.180717	0.096*	0.2481
H86J	0.276518	0.334635	0.195083	0.096*	0.2481
C865	0.2247 (12)	0.4207 (17)	0.1757 (7)	0.080*	0.2481
H86K	0.231778	0.426709	0.149120	0.096*	0.2481
H86L	0.192790	0.417539	0.172255	0.096*	0.2481
C866	0.2419 (12)	0.5012 (16)	0.2010 (8)	0.080*	0.2481
H86M	0.273253	0.507778	0.201540	0.096*	0.2481
H86N	0.227064	0.555348	0.188471	0.096*	0.2481
C829	0.493 (3)	0.735 (7)	0.562 (2)	0.20 (4)	0.1306
H82K	0.517602	0.767893	0.556145	0.242*	0.1306
H82L	0.487372	0.756134	0.587902	0.242*	0.1306
C830	0.452 (3)	0.753 (7)	0.529 (2)	0.22 (4)	0.1306
H83S	0.426366	0.724256	0.536347	0.263*	0.1306
H83T	0.446496	0.818071	0.527085	0.263*	0.1306
C825	0.458 (3)	0.717 (8)	0.4890 (17)	0.22 (4)	0.1306
H82M	0.431570	0.726646	0.468562	0.264*	0.1306
H82N	0.482311	0.749415	0.480751	0.264*	0.1306
C826	0.469 (3)	0.616 (7)	0.492 (2)	0.21 (4)	0.1306
H82O	0.473941	0.594802	0.465969	0.252*	0.1306
H82P	0.444091	0.583072	0.498042	0.252*	0.1306
C827	0.510 (3)	0.599 (7)	0.524 (2)	0.20 (4)	0.1306
H82Q	0.535080	0.629212	0.517405	0.243*	0.1306
H82R	0.515863	0.534243	0.526444	0.243*	0.1306
C828	0.503 (3)	0.634 (7)	0.5647 (16)	0.20 (4)	0.1306
H82S	0.478438	0.601761	0.572319	0.239*	0.1306
H82T	0.529212	0.623725	0.585370	0.239*	0.1306
I502	0.6511 (5)	0.9452 (11)	−0.0200 (5)	0.080*	0.0465
I501	0.7671 (5)	0.9447 (11)	0.0753 (5)	0.080*	0.0465
Zn51	0.6863 (12)	0.890 (2)	0.0443 (10)	0.080*	0.0465
C818	0.3955 (9)	1.270 (2)	0.3892 (9)	0.119 (10)	0.3153
H81C	0.402962	1.331797	0.382478	0.142*	0.3153
H81D	0.422800	1.237857	0.399618	0.142*	0.3153
C813	0.3677 (10)	1.274 (2)	0.4212 (7)	0.111 (10)	0.3153
H81E	0.362029	1.212162	0.429261	0.133*	0.3153
H81F	0.383911	1.305442	0.444924	0.133*	0.3153
C814	0.3242 (10)	1.3216 (17)	0.4053 (7)	0.106 (9)	0.3153
H81G	0.306570	1.321469	0.425966	0.127*	0.3153
H81H	0.329798	1.384338	0.399011	0.127*	0.3153
C815	0.2991 (9)	1.274 (2)	0.3677 (8)	0.123 (10)	0.3153
H81I	0.271756	1.306848	0.357185	0.148*	0.3153
H81J	0.291600	1.213001	0.374448	0.148*	0.3153
C816	0.3269 (11)	1.271 (3)	0.3356 (7)	0.129 (11)	0.3153
H81K	0.310784	1.238791	0.311969	0.155*	0.3153
H81L	0.332508	1.332331	0.327430	0.155*	0.3153
C817	0.3704 (11)	1.223 (3)	0.3515 (9)	0.125 (11)	0.3153
H81M	0.388052	1.223822	0.330915	0.150*	0.3153
H81N	0.364887	1.160652	0.357787	0.150*	0.3153
C807	0.442 (2)	1.180 (5)	0.415 (2)	0.152 (19)	0.1727
H80M	0.472712	1.170208	0.415913	0.183*	0.1727
H80N	0.430319	1.125747	0.426134	0.183*	0.1727
C808	0.437 (2)	1.259 (6)	0.443 (2)	0.16 (2)	0.1727
H80O	0.450201	1.241573	0.470556	0.195*	0.1727
H80P	0.454000	1.309805	0.435753	0.195*	0.1727
C809	0.390 (3)	1.288 (6)	0.440 (2)	0.15 (2)	0.1727
H80Q	0.388244	1.353257	0.436581	0.184*	0.1727
H80R	0.381979	1.274137	0.466001	0.184*	0.1727
C810	0.3579 (18)	1.243 (5)	0.407 (2)	0.137 (19)	0.1727
H81O	0.330045	1.275656	0.402273	0.164*	0.1727
H81P	0.352268	1.181303	0.415035	0.164*	0.1727
C811	0.374 (2)	1.238 (6)	0.3676 (16)	0.138 (19)	0.1727
H81Q	0.351965	1.206222	0.347544	0.166*	0.1727
H81R	0.376192	1.299736	0.357675	0.166*	0.1727
C812	0.418 (2)	1.191 (5)	0.3721 (19)	0.139 (18)	0.1727
H81S	0.413160	1.132021	0.359397	0.167*	0.1727
H81T	0.436312	1.226408	0.357750	0.167*	0.1727

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I306	0.0534 (12)	0.0832 (16)	0.123 (4)	−0.0076 (11)	−0.0188 (13)	−0.0492 (19)
I311	0.0850 (18)	0.0457 (10)	0.0984 (18)	0.0059 (12)	−0.013 (2)	0.0045 (9)
I302	0.0839 (8)	0.0439 (6)	0.0812 (10)	0.0105 (5)	0.0297 (6)	0.0075 (6)
I305	0.134 (3)	0.047 (2)	0.185 (4)	−0.0203 (17)	−0.087 (2)	0.042 (2)
I403	0.111 (3)	0.0418 (12)	0.0720 (17)	−0.0076 (11)	−0.0283 (15)	−0.0038 (9)
I308	0.304 (5)	0.0829 (17)	0.161 (3)	−0.090 (2)	0.138 (3)	−0.0720 (17)
I307	0.0768 (10)	0.0366 (7)	0.1407 (16)	0.0033 (6)	0.0149 (10)	−0.0140 (7)
I301	0.0825 (9)	0.0519 (7)	0.1126 (15)	−0.0008 (6)	−0.0049 (9)	−0.0079 (8)
I310	0.0705 (10)	0.0937 (10)	0.1165 (13)	−0.0056 (8)	−0.0054 (8)	0.0449 (9)
I312	0.100 (3)	0.1190 (18)	0.0812 (16)	0.0307 (13)	0.0201 (11)	0.0101 (13)
I404	0.079 (2)	0.125 (3)	0.0826 (19)	−0.045 (2)	0.0134 (12)	−0.0221 (13)
I309	0.0971 (9)	0.0494 (6)	0.143 (2)	0.0006 (5)	−0.0187 (10)	−0.0172 (9)
Zn33	0.054 (4)	0.038 (3)	0.096 (6)	−0.006 (3)	−0.029 (4)	0.000 (3)
Zn32	0.0997 (9)	0.0560 (6)	0.0580 (6)	−0.0253 (6)	−0.0226 (6)	0.0090 (5)
Zn36	0.0873 (8)	0.0582 (6)	0.0695 (7)	0.0157 (6)	−0.0205 (6)	−0.0129 (5)
Zn34	0.1150 (10)	0.0351 (5)	0.1042 (10)	−0.0062 (6)	0.0405 (8)	−0.0101 (5)
Zn35	0.0588 (15)	0.0429 (11)	0.094 (3)	−0.0087 (10)	−0.0260 (16)	0.0197 (16)
Zn31	0.0650 (19)	0.0401 (14)	0.0775 (16)	0.0086 (14)	0.0155 (14)	−0.0022 (10)
N309	0.053 (3)	0.030 (3)	0.055 (3)	0.006 (2)	−0.005 (3)	−0.003 (2)
N308	0.056 (3)	0.029 (3)	0.057 (3)	0.000 (2)	−0.001 (3)	−0.002 (2)
N304	0.061 (3)	0.044 (3)	0.057 (3)	0.006 (3)	−0.001 (3)	0.005 (3)
N310	0.059 (3)	0.036 (3)	0.059 (3)	0.000 (2)	−0.006 (3)	−0.003 (2)
N316	0.051 (3)	0.042 (3)	0.063 (4)	−0.003 (2)	−0.015 (3)	0.000 (3)
N306	0.051 (3)	0.046 (3)	0.077 (4)	0.001 (3)	−0.015 (3)	0.000 (3)
N320	0.073 (4)	0.038 (3)	0.071 (4)	0.007 (3)	−0.017 (3)	−0.010 (3)
N314	0.065 (4)	0.049 (3)	0.056 (4)	−0.003 (3)	−0.003 (3)	0.004 (3)
N322	0.068 (4)	0.040 (3)	0.072 (4)	0.003 (3)	−0.012 (3)	−0.005 (3)
N307	0.053 (3)	0.035 (3)	0.089 (5)	0.005 (2)	−0.024 (3)	−0.004 (3)
N305	0.074 (4)	0.058 (4)	0.053 (4)	0.002 (3)	−0.007 (3)	0.007 (3)
N315	0.071 (4)	0.049 (4)	0.063 (4)	−0.002 (3)	−0.008 (3)	0.009 (3)
N312	0.090 (5)	0.035 (3)	0.082 (5)	−0.003 (3)	0.017 (4)	−0.008 (3)
N321	0.073 (4)	0.043 (3)	0.074 (4)	0.000 (3)	−0.012 (3)	−0.009 (3)
N302	0.065 (4)	0.052 (4)	0.064 (4)	0.006 (3)	0.005 (3)	0.005 (3)
N313	0.096 (5)	0.041 (3)	0.086 (5)	0.004 (3)	0.025 (4)	0.003 (3)
N318	0.068 (4)	0.065 (4)	0.058 (4)	−0.005 (3)	−0.013 (3)	−0.010 (3)
N311	0.087 (5)	0.042 (3)	0.064 (4)	0.018 (3)	−0.023 (3)	−0.008 (3)
N317	0.063 (4)	0.054 (4)	0.100 (6)	−0.010 (3)	−0.021 (4)	−0.009 (4)
N323	0.086 (5)	0.050 (4)	0.085 (5)	0.001 (4)	0.025 (4)	0.002 (4)
N303	0.087 (5)	0.053 (4)	0.062 (4)	0.016 (3)	0.012 (4)	0.004 (3)
N319	0.094 (5)	0.047 (4)	0.073 (4)	0.005 (3)	−0.023 (4)	−0.015 (3)
C325	0.051 (4)	0.033 (3)	0.058 (4)	0.004 (3)	−0.001 (3)	−0.004 (3)
N324	0.073 (4)	0.038 (3)	0.099 (5)	0.008 (3)	−0.023 (4)	−0.010 (3)
C352	0.067 (4)	0.047 (4)	0.054 (4)	−0.004 (3)	−0.014 (4)	0.004 (3)
C324	0.048 (3)	0.033 (3)	0.058 (4)	0.000 (3)	0.002 (3)	−0.011 (3)
C307	0.065 (5)	0.051 (4)	0.062 (5)	0.009 (3)	−0.001 (4)	0.005 (3)
C308	0.052 (4)	0.049 (4)	0.057 (4)	0.000 (3)	−0.004 (3)	0.004 (3)
C316	0.055 (4)	0.046 (4)	0.056 (4)	0.004 (3)	−0.005 (3)	0.002 (3)
C343	0.063 (4)	0.043 (4)	0.061 (4)	0.002 (3)	−0.017 (4)	0.004 (3)
C334	0.062 (4)	0.034 (3)	0.058 (4)	−0.004 (3)	0.006 (3)	−0.006 (3)
C321	0.055 (4)	0.034 (3)	0.061 (4)	0.000 (3)	−0.005 (3)	−0.003 (3)
C326	0.065 (4)	0.033 (3)	0.050 (4)	0.003 (3)	0.002 (3)	−0.001 (3)
C327	0.059 (4)	0.037 (3)	0.056 (4)	0.007 (3)	−0.011 (3)	−0.005 (3)
C309	0.067 (5)	0.050 (4)	0.059 (4)	0.010 (3)	0.002 (4)	0.006 (3)
O3A	0.119 (7)	0.069 (5)	0.069 (5)	0.047 (5)	0.021 (5)	0.015 (4)
O2A	0.073 (5)	0.064 (5)	0.105 (7)	−0.015 (4)	0.029 (5)	−0.017 (5)
C333	0.064 (4)	0.041 (4)	0.070 (5)	−0.001 (3)	−0.003 (4)	0.001 (3)
C345	0.060 (4)	0.043 (4)	0.074 (5)	0.000 (3)	−0.010 (4)	−0.001 (4)
N301	0.112 (7)	0.062 (5)	0.095 (6)	0.026 (4)	0.040 (5)	0.009 (4)
C322	0.072 (5)	0.036 (4)	0.074 (5)	−0.005 (3)	−0.015 (4)	0.006 (3)
C339	0.071 (5)	0.051 (4)	0.067 (5)	0.001 (4)	−0.002 (4)	0.003 (4)
C317	0.064 (4)	0.047 (4)	0.067 (5)	0.003 (3)	−0.009 (4)	0.008 (3)
C332	0.073 (5)	0.043 (4)	0.064 (5)	0.004 (3)	−0.005 (4)	0.000 (3)
C362	0.067 (5)	0.037 (4)	0.071 (5)	0.001 (3)	−0.011 (4)	−0.010 (3)
C303	0.081 (6)	0.066 (5)	0.070 (5)	0.018 (4)	0.019 (4)	0.007 (4)
C360	0.074 (5)	0.041 (4)	0.072 (5)	0.003 (3)	−0.009 (4)	−0.012 (3)
C344	0.064 (4)	0.044 (4)	0.056 (4)	−0.004 (3)	−0.015 (4)	0.000 (3)
C328	0.073 (5)	0.042 (4)	0.060 (4)	−0.002 (3)	−0.014 (4)	−0.004 (3)
C306	0.078 (5)	0.051 (4)	0.064 (5)	0.010 (4)	0.005 (4)	0.001 (4)
C369	0.070 (5)	0.048 (4)	0.087 (6)	−0.002 (4)	−0.012 (4)	0.002 (4)
C318	0.053 (4)	0.048 (4)	0.069 (5)	0.003 (3)	−0.004 (3)	0.002 (3)
C351	0.062 (5)	0.058 (5)	0.078 (5)	−0.004 (4)	−0.005 (4)	−0.005 (4)
C363	0.069 (5)	0.038 (4)	0.074 (5)	−0.001 (3)	0.004 (4)	−0.006 (3)
C370	0.067 (5)	0.041 (4)	0.072 (5)	0.005 (3)	−0.015 (4)	−0.012 (3)
C357	0.082 (6)	0.047 (4)	0.073 (5)	0.003 (4)	−0.022 (4)	−0.011 (4)
C350	0.062 (5)	0.060 (5)	0.091 (7)	−0.005 (4)	−0.021 (5)	−0.020 (5)
C320	0.065 (5)	0.037 (4)	0.095 (6)	0.001 (3)	−0.027 (4)	0.010 (4)
C348	0.067 (5)	0.059 (5)	0.085 (6)	−0.006 (4)	−0.018 (4)	0.017 (4)
C335	0.094 (6)	0.041 (4)	0.069 (5)	−0.009 (4)	−0.012 (4)	−0.002 (4)
C336	0.113 (7)	0.042 (4)	0.070 (5)	−0.018 (4)	−0.006 (5)	−0.009 (4)
C349	0.082 (6)	0.051 (4)	0.070 (5)	−0.011 (4)	−0.022 (5)	0.002 (4)
C329	0.088 (6)	0.043 (4)	0.060 (4)	0.002 (4)	−0.012 (4)	−0.006 (3)
C342	0.065 (5)	0.056 (4)	0.056 (4)	−0.005 (4)	−0.009 (4)	0.002 (4)
C323	0.079 (5)	0.044 (4)	0.081 (6)	−0.005 (4)	−0.028 (5)	0.010 (4)
C331	0.075 (5)	0.043 (4)	0.097 (7)	−0.003 (4)	−0.035 (5)	0.011 (4)
C361	0.073 (5)	0.038 (4)	0.073 (5)	0.003 (3)	0.004 (4)	−0.003 (3)
C315	0.090 (6)	0.065 (5)	0.081 (6)	0.022 (5)	0.021 (5)	0.023 (5)
C353	0.099 (7)	0.062 (5)	0.071 (5)	−0.027 (5)	0.005 (5)	−0.013 (4)
O1A	0.063 (5)	0.087 (6)	0.117 (8)	0.009 (4)	0.003 (5)	0.052 (6)
C319	0.069 (5)	0.036 (4)	0.108 (7)	−0.006 (3)	−0.027 (5)	0.004 (4)
C364	0.093 (6)	0.044 (4)	0.088 (6)	0.000 (4)	0.000 (5)	−0.003 (4)
C358	0.089 (6)	0.046 (4)	0.083 (6)	−0.007 (4)	−0.024 (5)	−0.010 (4)
C340	0.106 (8)	0.066 (6)	0.098 (7)	−0.025 (5)	0.028 (6)	−0.025 (5)
C365	0.088 (6)	0.050 (5)	0.102 (7)	−0.018 (4)	0.014 (6)	−0.022 (5)
C313	0.071 (6)	0.084 (7)	0.113 (8)	0.015 (5)	0.011 (6)	0.043 (6)
C355	0.091 (6)	0.050 (5)	0.103 (7)	0.008 (4)	−0.044 (6)	−0.016 (5)
C368	0.067 (5)	0.043 (4)	0.093 (6)	−0.001 (4)	−0.022 (4)	−0.001 (4)
C354	0.104 (7)	0.067 (5)	0.067 (5)	−0.022 (5)	0.010 (5)	−0.011 (4)
C356	0.091 (6)	0.046 (4)	0.104 (7)	−0.006 (4)	−0.033 (6)	−0.009 (4)
C367	0.097 (7)	0.043 (4)	0.090 (6)	0.005 (4)	−0.019 (5)	0.000 (4)
C330	0.089 (6)	0.045 (4)	0.098 (7)	0.005 (4)	−0.040 (5)	0.001 (4)
C359	0.096 (7)	0.050 (4)	0.082 (6)	0.001 (4)	−0.026 (5)	−0.008 (4)
C366	0.108 (8)	0.049 (5)	0.089 (7)	0.003 (5)	−0.003 (6)	0.001 (4)
C304	0.108 (8)	0.081 (7)	0.094 (7)	0.038 (6)	0.041 (6)	0.030 (6)
C312	0.076 (6)	0.077 (6)	0.108 (8)	0.005 (5)	0.019 (5)	0.034 (6)
C314	0.095 (7)	0.074 (6)	0.088 (7)	0.020 (5)	0.016 (6)	0.032 (5)
C341	0.101 (8)	0.077 (7)	0.111 (8)	−0.033 (6)	0.035 (7)	−0.038 (6)
C371	0.119 (8)	0.040 (4)	0.126 (9)	−0.008 (5)	−0.069 (7)	−0.003 (5)
C305	0.127 (10)	0.092 (8)	0.100 (8)	0.028 (7)	0.057 (8)	0.024 (6)
C1A	0.054 (6)	0.051 (7)	0.132 (12)	0.009 (5)	−0.029 (7)	−0.018 (8)
C2A	0.051 (6)	0.060 (7)	0.116 (10)	0.011 (5)	−0.009 (6)	−0.030 (7)
C3A	0.048 (5)	0.051 (6)	0.102 (9)	0.012 (4)	−0.007 (5)	−0.010 (6)
C4A	0.065 (6)	0.035 (5)	0.088 (8)	0.004 (4)	0.010 (6)	0.000 (5)
C5A	0.066 (7)	0.045 (6)	0.113 (10)	0.003 (5)	−0.008 (7)	0.008 (6)
C6A	0.054 (6)	0.046 (6)	0.177 (16)	−0.003 (5)	−0.013 (8)	0.022 (8)
C337	0.097 (7)	0.090 (7)	0.086 (7)	−0.024 (6)	0.010 (6)	−0.015 (6)
C7A	0.090 (8)	0.034 (5)	0.079 (7)	0.001 (5)	0.030 (6)	0.000 (5)
C338	0.097 (7)	0.104 (8)	0.077 (6)	−0.031 (6)	0.018 (6)	−0.019 (6)
C347	0.115 (9)	0.079 (7)	0.128 (10)	−0.029 (7)	0.025 (8)	−0.051 (7)
C346	0.118 (9)	0.073 (6)	0.106 (8)	−0.024 (6)	0.034 (7)	−0.029 (6)
C372	0.110 (8)	0.049 (5)	0.152 (11)	−0.005 (5)	−0.070 (8)	0.004 (6)
C12A	0.137 (13)	0.043 (6)	0.072 (8)	0.025 (7)	0.037 (8)	0.011 (5)
C302	0.128 (10)	0.120 (10)	0.089 (8)	0.066 (8)	0.037 (7)	0.025 (7)
C8A	0.102 (10)	0.047 (6)	0.095 (9)	−0.014 (6)	0.047 (8)	−0.003 (6)
C301	0.130 (10)	0.101 (9)	0.124 (10)	0.058 (8)	0.065 (9)	0.038 (8)
C9A	0.169 (16)	0.060 (8)	0.101 (11)	−0.040 (10)	0.082 (12)	−0.019 (8)
C10A	0.20 (2)	0.044 (7)	0.089 (10)	−0.005 (10)	0.078 (12)	0.002 (7)
C11A	0.169 (16)	0.055 (7)	0.059 (7)	0.034 (9)	0.041 (9)	0.011 (6)
C15A	0.131 (14)	0.112 (12)	0.099 (11)	0.071 (11)	0.048 (10)	0.040 (9)
C13A	0.131 (13)	0.060 (8)	0.117 (12)	−0.018 (8)	0.028 (10)	0.028 (8)
C310	0.129 (11)	0.182 (15)	0.137 (12)	0.091 (11)	0.065 (10)	0.099 (12)
C311	0.132 (11)	0.165 (14)	0.150 (13)	0.083 (11)	0.052 (10)	0.110 (12)
C14A	0.073 (9)	0.096 (12)	0.22 (2)	−0.031 (9)	0.020 (12)	−0.049 (13)
I405	0.0639 (17)	0.0364 (13)	0.143 (2)	−0.0014 (9)	−0.010 (2)	0.0220 (12)
Zn43	0.051 (3)	0.045 (4)	0.095 (7)	0.012 (3)	−0.015 (3)	−0.012 (4)
I406	0.081 (2)	0.0802 (16)	0.108 (4)	0.0145 (15)	−0.0142 (15)	−0.0492 (18)
I409	0.125 (3)	0.053 (2)	0.130 (6)	−0.0144 (17)	0.014 (3)	−0.013 (3)
Zn45	0.081 (6)	0.040 (4)	0.088 (8)	−0.013 (3)	−0.016 (5)	0.014 (5)
I410	0.068 (3)	0.092 (3)	0.100 (3)	−0.019 (2)	−0.013 (2)	0.032 (3)
I402	0.200 (5)	0.0530 (18)	0.126 (4)	0.040 (3)	0.102 (3)	0.031 (2)
Zn41	0.122 (9)	0.040 (3)	0.148 (11)	−0.002 (6)	0.077 (7)	−0.003 (6)
I401	0.136 (4)	0.102 (4)	0.182 (6)	−0.064 (3)	0.076 (4)	−0.072 (3)
I303	0.296 (8)	0.0471 (14)	0.151 (4)	0.025 (2)	−0.129 (4)	−0.0155 (14)
I304	0.184 (5)	0.231 (6)	0.0735 (19)	−0.146 (4)	0.006 (2)	−0.013 (2)
I407	0.243 (8)	0.073 (2)	0.405 (12)	0.080 (4)	0.221 (9)	0.079 (5)
I408	0.105 (2)	0.0497 (15)	0.0692 (17)	−0.0306 (12)	0.0189 (16)	−0.0275 (11)
C4B	0.073 (18)	0.124 (15)	0.099 (19)	0.014 (16)	−0.021 (13)	0.014 (15)
C5B	0.058 (17)	0.128 (18)	0.099 (19)	0.033 (17)	−0.028 (12)	0.032 (17)
C6B	0.08 (2)	0.136 (19)	0.10 (2)	0.03 (2)	−0.011 (18)	0.033 (18)
C1B	0.11 (3)	0.130 (19)	0.09 (3)	0.01 (2)	−0.03 (2)	0.017 (19)
C2B	0.10 (2)	0.124 (17)	0.07 (2)	0.01 (2)	−0.041 (19)	−0.001 (17)
C3B	0.09 (2)	0.130 (18)	0.11 (2)	0.01 (2)	−0.015 (18)	0.001 (19)
C7B	0.123 (19)	0.130 (17)	0.096 (19)	0.008 (15)	0.018 (14)	0.007 (16)
C12B	0.13 (2)	0.12 (2)	0.10 (2)	0.002 (16)	0.025 (15)	−0.006 (17)
C11B	0.14 (3)	0.13 (2)	0.10 (2)	−0.001 (19)	0.04 (2)	−0.002 (19)
C10B	0.15 (3)	0.13 (2)	0.11 (3)	−0.010 (19)	0.04 (2)	0.01 (2)
C9B	0.14 (3)	0.12 (2)	0.09 (2)	0.005 (18)	0.043 (19)	−0.001 (17)
C8B	0.13 (2)	0.114 (19)	0.060 (16)	0.017 (15)	0.038 (13)	−0.002 (14)
I411	0.117 (7)	0.0495 (18)	0.131 (6)	0.020 (3)	−0.057 (5)	−0.006 (3)
O2B	0.16 (2)	0.11 (2)	0.057 (15)	0.005 (17)	0.015 (14)	0.005 (15)
O3B	0.13 (2)	0.13 (2)	0.12 (2)	−0.002 (19)	0.019 (16)	0.007 (18)
C805	0.09 (2)	0.22 (4)	0.10 (2)	0.03 (2)	0.01 (2)	−0.02 (3)
C801	0.14 (3)	0.18 (4)	0.11 (2)	0.03 (3)	0.00 (2)	0.04 (2)
C803	0.10 (2)	0.17 (3)	0.11 (2)	0.01 (2)	0.05 (2)	0.02 (2)
C806	0.14 (3)	0.20 (4)	0.09 (2)	0.00 (3)	0.00 (2)	0.03 (2)
I412	0.163 (6)	0.142 (9)	0.093 (5)	0.057 (5)	0.034 (5)	−0.006 (6)
C823	0.34 (6)	0.11 (3)	0.08 (2)	−0.02 (3)	−0.08 (3)	0.00 (2)
C822	0.35 (6)	0.13 (3)	0.09 (2)	−0.03 (3)	−0.10 (3)	0.04 (2)
C821	0.33 (6)	0.10 (3)	0.09 (2)	−0.02 (3)	−0.10 (3)	0.02 (2)
C819	0.36 (6)	0.09 (2)	0.09 (2)	−0.02 (3)	−0.08 (3)	−0.01 (2)
C820	0.35 (6)	0.08 (2)	0.11 (3)	−0.03 (3)	−0.09 (3)	−0.01 (2)
C824	0.35 (6)	0.11 (3)	0.07 (2)	−0.01 (3)	−0.06 (3)	0.00 (2)
C804	0.11 (2)	0.20 (4)	0.15 (3)	0.01 (3)	0.00 (2)	−0.01 (3)
C802	0.13 (2)	0.19 (3)	0.11 (2)	0.05 (2)	0.04 (2)	0.05 (2)
C15B	0.15 (3)	0.13 (4)	0.14 (3)	−0.02 (3)	0.00 (2)	0.02 (3)
C14B	0.17 (4)	0.21 (6)	0.09 (3)	0.03 (4)	0.01 (3)	0.04 (4)
O1B	0.15 (4)	0.29 (6)	0.15 (4)	0.03 (4)	0.02 (3)	−0.03 (4)
C13B	0.10 (3)	0.15 (2)	0.13 (3)	0.06 (2)	−0.02 (2)	0.01 (2)
C851	0.10 (3)	0.25 (6)	0.11 (3)	0.02 (3)	−0.02 (3)	0.04 (4)
C852	0.10 (3)	0.24 (6)	0.12 (4)	0.02 (4)	−0.02 (3)	0.05 (4)
C853	0.10 (3)	0.24 (6)	0.10 (3)	0.02 (4)	−0.03 (2)	0.05 (4)
C854	0.11 (3)	0.24 (6)	0.06 (3)	0.03 (3)	−0.03 (2)	0.04 (3)
C849	0.10 (3)	0.24 (6)	0.07 (3)	0.03 (3)	−0.03 (2)	0.04 (3)
C850	0.11 (3)	0.25 (6)	0.09 (3)	0.03 (4)	−0.02 (2)	0.03 (4)
C839	0.12 (3)	0.15 (3)	0.11 (3)	−0.02 (2)	0.06 (2)	0.02 (3)
C840	0.12 (3)	0.17 (3)	0.10 (3)	−0.02 (2)	0.06 (2)	0.03 (3)
C841	0.12 (3)	0.18 (4)	0.12 (3)	−0.01 (2)	0.06 (2)	0.02 (3)
C842	0.10 (3)	0.17 (4)	0.16 (3)	0.01 (3)	0.07 (2)	0.01 (3)
C837	0.12 (3)	0.15 (3)	0.15 (3)	0.00 (2)	0.08 (3)	0.02 (3)
C838	0.12 (3)	0.14 (3)	0.13 (3)	−0.01 (2)	0.07 (2)	0.02 (3)
C832	0.09 (2)	0.17 (4)	0.28 (5)	−0.02 (3)	0.04 (3)	−0.02 (4)
C831	0.10 (2)	0.17 (4)	0.28 (5)	−0.03 (3)	0.07 (3)	−0.01 (4)
C836	0.10 (3)	0.16 (4)	0.27 (5)	−0.03 (2)	0.06 (3)	0.00 (4)
C835	0.09 (2)	0.16 (4)	0.22 (5)	−0.04 (3)	0.07 (3)	0.01 (4)
C834	0.09 (2)	0.16 (4)	0.24 (5)	−0.02 (3)	0.06 (3)	0.01 (4)
C833	0.09 (2)	0.16 (4)	0.26 (5)	−0.03 (2)	0.06 (3)	−0.01 (4)
C843	0.34 (7)	0.15 (4)	0.10 (3)	0.13 (5)	0.07 (3)	0.05 (3)
C844	0.33 (7)	0.16 (4)	0.10 (3)	0.12 (5)	0.06 (4)	0.04 (3)
C845	0.33 (7)	0.16 (4)	0.10 (4)	0.11 (5)	0.07 (4)	0.03 (3)
C846	0.33 (7)	0.17 (4)	0.09 (3)	0.11 (5)	0.08 (4)	0.03 (3)
C847	0.33 (7)	0.15 (4)	0.10 (3)	0.12 (5)	0.08 (4)	0.04 (3)
C848	0.33 (7)	0.13 (4)	0.08 (3)	0.13 (5)	0.08 (3)	0.07 (3)
C829	0.13 (5)	0.41 (11)	0.07 (3)	0.12 (6)	0.03 (3)	−0.04 (5)
C830	0.15 (5)	0.40 (11)	0.09 (4)	0.12 (6)	0.01 (3)	−0.03 (5)
C825	0.15 (5)	0.41 (11)	0.09 (3)	0.12 (6)	−0.01 (3)	−0.04 (5)
C826	0.12 (5)	0.41 (11)	0.08 (3)	0.12 (6)	−0.02 (3)	−0.04 (5)
C827	0.12 (5)	0.41 (11)	0.06 (3)	0.12 (6)	−0.01 (3)	−0.05 (5)
C828	0.12 (5)	0.41 (11)	0.07 (3)	0.12 (6)	0.01 (3)	−0.04 (5)
C818	0.18 (2)	0.09 (2)	0.100 (18)	−0.052 (18)	0.062 (16)	−0.031 (16)
C813	0.18 (2)	0.071 (17)	0.094 (17)	−0.072 (16)	0.061 (15)	−0.048 (14)
C814	0.18 (2)	0.072 (16)	0.088 (15)	−0.074 (15)	0.077 (16)	−0.030 (13)
C815	0.17 (2)	0.12 (2)	0.092 (17)	−0.077 (18)	0.068 (15)	−0.042 (15)
C816	0.17 (2)	0.14 (2)	0.092 (17)	−0.08 (2)	0.067 (16)	−0.046 (17)
C817	0.19 (2)	0.11 (2)	0.098 (18)	−0.061 (19)	0.083 (18)	−0.052 (17)
C807	0.16 (4)	0.14 (4)	0.18 (4)	−0.03 (3)	0.08 (4)	0.01 (3)
C808	0.18 (4)	0.15 (4)	0.17 (4)	−0.01 (4)	0.05 (4)	0.00 (3)
C809	0.18 (4)	0.14 (4)	0.16 (4)	−0.02 (4)	0.06 (4)	0.00 (4)
C810	0.16 (4)	0.13 (4)	0.15 (4)	−0.03 (3)	0.08 (3)	0.01 (4)
C811	0.15 (4)	0.13 (4)	0.16 (4)	−0.03 (3)	0.09 (3)	0.00 (4)
C812	0.15 (4)	0.12 (4)	0.17 (4)	−0.04 (3)	0.08 (4)	−0.01 (3)

Geometric parameters (Å, º)

I306—Zn33	2.52 (2)	C1B—H1B	0.9500
I311—Zn36	2.614 (7)	C1B—C2B	1.3900
I302—Zn31	2.525 (8)	C2B—H2B	0.9500
I305—Zn33	2.60 (2)	C2B—C3B	1.3900
I403—Zn32	2.555 (4)	C3B—H3B	0.9500
I308—Zn34	2.472 (4)	C7B—C12B	1.3900
I307—Zn34	2.536 (2)	C7B—C8B	1.3900
I301—Zn31	2.534 (6)	C12B—C11B	1.3900
I310—Zn35	2.530 (5)	C12B—O3B	1.372 (17)
I312—Zn36	2.455 (7)	C11B—H11B	0.9500
I404—Zn32	2.574 (4)	C11B—C10B	1.3900
I309—Zn35	2.532 (6)	C11B—C838	1.30 (5)
Zn33—N306	2.120 (18)	C10B—H10B	0.9500
Zn33—N307	2.081 (16)	C10B—C9B	1.3900
Zn32—N305	2.067 (7)	C9B—H9B	0.9500
Zn32—N311^i	2.060 (6)	C9B—C8B	1.3900
Zn32—I303	2.501 (5)	C8B—O2B	1.361 (19)
Zn32—I304	2.469 (7)	O2B—C14B	1.45 (2)
Zn36—N318	2.052 (7)	O3B—C15B	1.44 (2)
Zn36—N319	2.070 (7)	C805—H80A	0.9900
Zn36—I411	2.40 (2)	C805—H80B	0.9900
Zn36—I412	2.77 (4)	C805—C806	1.35 (3)
Zn34—N312	2.086 (6)	C805—C804	1.35 (3)
Zn34—N313	2.055 (8)	C801—H80C	0.9900
Zn34—I407	2.522 (7)	C801—H80D	0.9900
Zn34—I408	2.563 (4)	C801—C806	1.35 (3)
Zn35—N317	2.099 (9)	C801—C802	1.36 (3)
Zn35—N324^ii	2.119 (8)	C803—H80E	0.9900
Zn31—N323^iii	2.102 (12)	C803—H80F	0.9900
Zn31—N301	2.118 (12)	C803—C804	1.36 (3)
N309—C325	1.321 (9)	C803—C802	1.37 (3)
N309—C324	1.326 (9)	C806—H80G	0.9900
N308—C324	1.335 (9)	C806—H80H	0.9900
N308—C326	1.329 (9)	C823—H82A	0.9900
N304—C307	1.350 (10)	C823—H82B	0.9900
N304—C308	1.341 (10)	C823—C822	1.47 (3)
N310—C325	1.340 (9)	C823—C824	1.47 (3)
N310—C326	1.335 (9)	C822—H82C	0.9900
N316—C343	1.346 (11)	C822—H82D	0.9900
N316—C344	1.342 (10)	C822—C821	1.47 (3)
N306—C318	1.353 (11)	C821—H82E	0.9900
N306—C314	1.316 (13)	C821—H82F	0.9900
N306—Zn43	2.03 (2)	C821—C820	1.47 (3)
N320—C362	1.332 (10)	C819—H81A	0.9900
N320—C360	1.325 (10)	C819—H81B	0.9900
N314—C344	1.313 (11)	C819—C820	1.47 (3)
N314—C342	1.314 (11)	C819—C824	1.47 (3)
N322—C362	1.334 (10)	C820—H82G	0.9900
N322—C361	1.332 (10)	C820—H82H	0.9900
N307—C323	1.344 (10)	C824—H82I	0.9900
N307—C319	1.333 (11)	C824—H82J	0.9900
N307—Zn43	2.067 (19)	C804—H80I	0.9900
N305—C312	1.262 (12)	C804—H80J	0.9900
N305—C311	1.307 (15)	C802—H80K	0.9900
N315—C343	1.339 (12)	C802—H80L	0.9900
N315—C342	1.326 (10)	C15B—H15D	0.9800
N312—C332	1.307 (11)	C15B—H15E	0.9800
N312—C336	1.318 (12)	C15B—H15F	0.9800
N321—C360	1.319 (11)	C15B—C837	1.60 (8)
N321—C361	1.340 (11)	C14B—H14D	0.9800
N302—C308	1.307 (11)	C14B—H14E	0.9800
N302—C306	1.334 (10)	C14B—H14F	0.9800
N313—C341	1.287 (13)	O1B—H1BA	0.8400
N313—C337	1.329 (13)	O1B—C13B	1.40 (2)
N318—C350	1.313 (13)	C13B—H13C	0.9900
N318—C354	1.323 (12)	C13B—H13D	0.9900
N311—C329	1.333 (11)	C851—H85A	0.9900
N311—C330	1.321 (12)	C851—H85B	0.9900
N317—C348	1.312 (13)	C851—C852	1.539 (13)
N317—C347	1.333 (15)	C851—C850	1.539 (13)
N317—Zn45	1.974 (18)	C852—H85C	0.9900
N323—C365	1.290 (13)	C852—H85D	0.9900
N323—C366	1.329 (13)	C852—C853	1.540 (14)
N323—Zn41^iv	2.065 (16)	C853—H85E	0.9900
N323—Zn51^iv	2.32 (4)	C853—H85F	0.9900
N303—C307	1.322 (11)	C853—C854	1.543 (13)
N303—C306	1.325 (11)	C854—H85G	0.9900
N319—C355	1.349 (12)	C854—H85H	0.9900
N319—C359	1.343 (11)	C854—C849	1.543 (13)
C325—C327	1.480 (9)	C849—H84A	0.9900
N324—C368	1.295 (11)	C849—H84B	0.9900
N324—C372	1.311 (12)	C849—C850	1.538 (13)
N324—Zn45^v	1.996 (18)	C850—H85I	0.9900
C352—C344	1.494 (11)	C850—H85J	0.9900
C352—C351	1.366 (12)	C839—H83A	0.9900
C352—C353	1.364 (13)	C839—H83B	0.9900
C324—C321	1.486 (9)	C839—C840	1.529 (13)
C307—C309	1.453 (11)	C839—C838	1.529 (13)
C308—C316	1.493 (10)	C840—H84C	0.9900
C316—C317	1.391 (12)	C840—H84D	0.9900
C316—C315	1.354 (12)	C840—C841	1.528 (13)
C343—C345	1.485 (11)	C841—H84E	0.9900
C334—C326	1.486 (9)	C841—H84F	0.9900
C334—C333	1.380 (11)	C841—C842	1.530 (13)
C334—C335	1.361 (11)	C842—H84G	0.9900
C321—C322	1.368 (10)	C842—H84H	0.9900
C321—C320	1.382 (10)	C842—C837	1.533 (13)
C327—C328	1.380 (11)	C837—H83C	0.9900
C327—C331	1.392 (11)	C837—H83D	0.9900
C309—C313	1.333 (14)	C837—C838	1.530 (13)
C309—C310	1.373 (14)	C838—H83E	0.9900
O3A—C12A	1.362 (17)	C838—H83F	0.9900
O3A—C15A	1.445 (13)	C832—H83G	0.9900
O2A—C8A	1.366 (15)	C832—H83H	0.9900
O2A—C14A	1.422 (14)	C832—C831	1.538 (14)
C333—H333	0.9500	C832—C833	1.531 (14)
C333—C332	1.382 (11)	C831—H83I	0.9900
C345—C349	1.377 (14)	C831—H83J	0.9900
C345—C346	1.375 (13)	C831—C836	1.542 (14)
N301—C305	1.327 (14)	C836—H83K	0.9900
N301—C301	1.299 (14)	C836—H83L	0.9900
N301—Zn41	2.042 (18)	C836—C835	1.533 (14)
N301—Zn51	2.12 (4)	C835—H83M	0.9900
C322—H322	0.9500	C835—H83N	0.9900
C322—C323	1.383 (11)	C835—C834	1.529 (14)
C339—C342	1.498 (13)	C834—H83O	0.9900
C339—C340	1.366 (13)	C834—H83P	0.9900
C339—C338	1.363 (13)	C834—C833	1.531 (14)
C317—H317	0.9500	C833—H83Q	0.9900
C317—C318	1.367 (11)	C833—H83R	0.9900
C332—H332	0.9500	C856—H85K	0.9900
C362—C370	1.493 (10)	C856—H85L	0.9900
C303—C306	1.493 (13)	C856—C855	1.531 (13)
C303—C304	1.360 (13)	C856—C857	1.530 (13)
C303—C302	1.397 (14)	C855—H85M	0.9900
C360—C357	1.510 (11)	C855—H85N	0.9900
C328—H328	0.9500	C855—C860	1.517 (13)
C328—C329	1.384 (11)	C860—H86A	0.9900
C369—H369	0.9500	C860—H86B	0.9900
C369—C370	1.367 (12)	C860—C859	1.518 (13)
C369—C368	1.406 (12)	C859—H85O	0.9900
C318—H318	0.9500	C859—H85P	0.9900
C351—H351	0.9500	C859—C858	1.511 (13)
C351—C350	1.391 (13)	C858—H85Q	0.9900
C363—C361	1.488 (10)	C858—H85R	0.9900
C363—C364	1.363 (12)	C858—C857	1.529 (13)
C363—C367	1.380 (12)	C857—H85S	0.9900
C370—C371	1.367 (12)	C857—H85T	0.9900
C357—C358	1.375 (12)	C843—H84I	0.9900
C357—C356	1.389 (12)	C843—H84J	0.9900
C350—H350	0.9500	C843—C844	1.537 (13)
C320—H320	0.9500	C843—C848	1.538 (13)
C320—C319	1.371 (11)	C844—H84K	0.9900
C348—H348	0.9500	C844—H84L	0.9900
C348—C349	1.393 (12)	C844—C845	1.540 (13)
C335—H335	0.9500	C845—H84M	0.9900
C335—C336	1.369 (11)	C845—H84N	0.9900
C336—H336	0.9500	C845—C846	1.541 (13)
C349—H349	0.9500	C846—H84O	0.9900
C329—H329	0.9500	C846—H84P	0.9900
C323—H323	0.9500	C846—C847	1.541 (13)
C331—H331	0.9500	C847—H84Q	0.9900
C331—C330	1.391 (12)	C847—H84R	0.9900
C315—H315	0.9500	C847—C848	1.541 (13)
C315—C314	1.397 (13)	C848—H84S	0.9900
C353—H353	0.9500	C848—H84T	0.9900
C353—C354	1.394 (13)	C861—H86C	0.9900
O1A—H1A	0.8400	C861—H86D	0.9900
O1A—C13A	1.414 (12)	C861—C862	1.521 (13)
C319—H319	0.9500	C861—C866	1.512 (13)
C364—H364	0.9500	C862—H86E	0.9900
C364—C365	1.400 (13)	C862—H86F	0.9900
C358—H358	0.9500	C862—C863	1.512 (13)
C358—C359	1.364 (13)	C863—H86G	0.9900
C340—H340	0.9500	C863—H86H	0.9900
C340—C341	1.397 (15)	C863—C864	1.516 (13)
C365—H365	0.9500	C864—H86I	0.9900
C313—H313	0.9500	C864—H86J	0.9900
C313—C312	1.418 (14)	C864—C865	1.529 (13)
C355—H355	0.9500	C865—H86K	0.9900
C355—C356	1.391 (13)	C865—H86L	0.9900
C368—H368	0.9500	C865—C866	1.521 (13)
C354—H354	0.9500	C866—H86M	0.9900
C356—H356	0.9500	C866—H86N	0.9900
C367—H367	0.9500	C829—H82K	0.9900
C367—C366	1.385 (12)	C829—H82L	0.9900
C330—H330	0.9500	C829—C830	1.542 (14)
C359—H359	0.9500	C829—C828	1.540 (14)
C366—H366	0.9500	C830—H83S	0.9900
C304—H304	0.9500	C830—H83T	0.9900
C304—C305	1.354 (15)	C830—C825	1.541 (14)
C312—H312	0.9500	C825—H82M	0.9900
C314—H314	0.9500	C825—H82N	0.9900
C341—H341	0.9500	C825—C826	1.541 (14)
C371—H371	0.9500	C826—H82O	0.9900
C371—C372	1.382 (13)	C826—H82P	0.9900
C305—H305	0.9500	C826—C827	1.541 (14)
C1A—H1AA	0.9500	C827—H82Q	0.9900
C1A—C2A	1.3900	C827—H82R	0.9900
C1A—C6A	1.3900	C827—C828	1.542 (14)
C2A—H2A	0.9500	C828—H82S	0.9900
C2A—C3A	1.3900	C828—H82T	0.9900
C3A—H3A	0.9500	I502—Zn51	2.41 (4)
C3A—C4A	1.3900	I501—Zn51	2.67 (4)
C4A—C5A	1.3900	C818—H81C	0.9900
C4A—C7A	1.510 (10)	C818—H81D	0.9900
C5A—C6A	1.3900	C818—C813	1.545 (13)
C5A—C13A	1.519 (15)	C818—C817	1.539 (13)
C6A—H6A	0.9500	C818—C809	1.83 (7)
C337—H337	0.9500	C818—C810	1.50 (6)
C337—C338	1.390 (16)	C818—C811	1.02 (8)
C7A—C12A	1.395 (12)	C818—C812	1.55 (7)
C7A—C8A	1.391 (12)	C813—H81E	0.9900
C338—H338	0.9500	C813—H81F	0.9900
C347—H347	0.9500	C813—C814	1.543 (13)
C347—C346	1.380 (16)	C813—C809	0.89 (7)
C346—H346	0.9500	C813—C810	0.70 (7)
C372—H372	0.9500	C813—C811	1.97 (6)
C12A—C11A	1.397 (12)	C814—H81G	0.9900
C302—H302	0.9500	C814—H81H	0.9900
C302—C301	1.390 (16)	C814—C815	1.542 (12)
C8A—C9A	1.398 (12)	C814—C810	1.58 (8)
C301—H301	0.9500	C815—H81I	0.9900
C9A—H9A	0.9500	C815—H81J	0.9900
C9A—C10A	1.368 (13)	C815—C816	1.547 (13)
C10A—H10A	0.9500	C816—H81K	0.9900
C10A—C11A	1.370 (13)	C816—H81L	0.9900
C11A—H11A	0.9500	C816—C817	1.539 (13)
C15A—H15A	0.9800	C816—C811	1.72 (7)
C15A—H15B	0.9800	C817—H81M	0.9900
C15A—H15C	0.9800	C817—H81N	0.9900
C13A—H13A	0.9900	C817—C811	0.58 (6)
C13A—H13B	0.9900	C817—C812	1.59 (8)
C310—H310	0.9500	C807—H80M	0.9900
C310—C311	1.386 (16)	C807—H80N	0.9900
C311—H311	0.9500	C807—C808	1.535 (13)
C14A—H14A	0.9800	C807—C812	1.532 (13)
C14A—H14B	0.9800	C808—H80O	0.9900
C14A—H14C	0.9800	C808—H80P	0.9900
I405—Zn43	2.46 (3)	C808—C809	1.531 (13)
Zn43—I406	2.54 (3)	C809—H80Q	0.9900
I409—Zn45	2.594 (19)	C809—H80R	0.9900
Zn45—I410	2.529 (13)	C809—C810	1.532 (13)
I402—Zn41	2.532 (14)	C810—H81O	0.9900
Zn41—I401	2.594 (13)	C810—H81P	0.9900
C4B—C5B	1.3900	C810—C811	1.536 (13)
C4B—C3B	1.3900	C811—H81Q	0.9900
C4B—C7B	1.489 (18)	C811—H81R	0.9900
C5B—C6B	1.3900	C811—C812	1.533 (13)
C5B—C13B	1.501 (17)	C812—H81S	0.9900
C6B—H6B	0.9500	C812—H81T	0.9900
C6B—C1B	1.3900
I306—Zn33—I305	123.9 (6)	C824—C819—C820	101 (5)
N306—Zn33—I306	110.9 (10)	C821—C820—C819	122 (5)
N306—Zn33—I305	105.5 (8)	C821—C820—H82G	106.7
N307—Zn33—I306	109.9 (9)	C821—C820—H82H	106.7
N307—Zn33—I305	105.4 (9)	C819—C820—H82G	106.7
N307—Zn33—N306	98.1 (7)	C819—C820—H82H	106.7
I403—Zn32—I404	126.54 (16)	H82G—C820—H82H	106.6
N305—Zn32—I403	108.5 (2)	C823—C824—H82I	107.6
N305—Zn32—I404	104.7 (3)	C823—C824—H82J	107.6
N305—Zn32—I303	104.6 (3)	C819—C824—C823	119 (5)
N305—Zn32—I304	109.8 (3)	C819—C824—H82I	107.6
N311^i—Zn32—I403	109.1 (2)	C819—C824—H82J	107.6
N311^i—Zn32—I404	103.3 (3)	H82I—C824—H82J	107.1
N311^i—Zn32—N305	102.2 (3)	C805—C804—C803	115 (5)
N311^i—Zn32—I303	107.9 (3)	C805—C804—H80I	108.4
N311^i—Zn32—I304	106.2 (3)	C805—C804—H80J	108.4
I304—Zn32—I303	124.1 (2)	C803—C804—H80I	108.4
I312—Zn36—I311	126.4 (2)	C803—C804—H80J	108.4
N318—Zn36—I311	105.8 (3)	H80I—C804—H80J	107.5
N318—Zn36—I312	107.0 (3)	C801—C802—C803	114 (4)
N318—Zn36—N319	102.7 (3)	C801—C802—H80K	108.7
N318—Zn36—I411	111.8 (8)	C801—C802—H80L	108.7
N318—Zn36—I412	106.2 (4)	C803—C802—H80K	108.7
N319—Zn36—I311	104.5 (3)	C803—C802—H80L	108.7
N319—Zn36—I312	108.1 (3)	H80K—C802—H80L	107.6
N319—Zn36—I411	107.6 (4)	O3B—C15B—H15D	109.5
N319—Zn36—I412	101.9 (7)	O3B—C15B—H15E	109.5
I411—Zn36—I412	124.2 (12)	O3B—C15B—H15F	109.5
I308—Zn34—I307	122.16 (13)	O3B—C15B—C837	110 (4)
N312—Zn34—I308	108.8 (2)	H15D—C15B—H15E	109.5
N312—Zn34—I307	108.2 (2)	H15D—C15B—H15F	109.5
N312—Zn34—I407	104.3 (3)	H15E—C15B—H15F	109.5
N312—Zn34—I408	110.5 (2)	C837—C15B—H15D	132.0
N313—Zn34—I308	107.8 (3)	C837—C15B—H15E	82.3
N313—Zn34—I307	106.3 (2)	C837—C15B—H15F	29.6
N313—Zn34—N312	101.7 (3)	O2B—C14B—H14D	109.5
N313—Zn34—I407	112.9 (3)	O2B—C14B—H14E	109.5
N313—Zn34—I408	107.8 (3)	O2B—C14B—H14F	109.5
I407—Zn34—I408	118.3 (2)	H14D—C14B—H14E	109.5
I310—Zn35—I309	127.77 (19)	H14D—C14B—H14F	109.5
N317—Zn35—I310	110.2 (4)	H14E—C14B—H14F	109.5
N317—Zn35—I309	103.5 (3)	C13B—O1B—H1BA	109.5
N317—Zn35—N324^ii	96.1 (3)	C5B—C13B—H13C	109.1
N324^ii—Zn35—I310	106.1 (3)	C5B—C13B—H13D	109.1
N324^ii—Zn35—I309	108.7 (3)	O1B—C13B—C5B	112 (2)
I302—Zn31—I301	122.4 (4)	O1B—C13B—H13C	109.1
N323^iii—Zn31—I302	109.8 (4)	O1B—C13B—H13D	109.1
N323^iii—Zn31—I301	108.8 (4)	H13C—C13B—H13D	107.8
N323^iii—Zn31—N301	100.3 (5)	H85A—C851—H85B	107.9
N301—Zn31—I302	104.1 (3)	C852—C851—H85A	109.2
N301—Zn31—I301	109.3 (4)	C852—C851—H85B	109.2
C325—N309—C324	114.8 (6)	C852—C851—C850	112 (2)
C326—N308—C324	114.5 (6)	C850—C851—H85A	109.2
C308—N304—C307	113.5 (7)	C850—C851—H85B	109.2
C326—N310—C325	114.1 (6)	C851—C852—H85C	109.4
C344—N316—C343	113.6 (7)	C851—C852—H85D	109.4
C318—N306—Zn33	118.5 (9)	C851—C852—C853	111 (2)
C318—N306—Zn43	126.1 (10)	H85C—C852—H85D	108.0
C314—N306—Zn33	122.2 (9)	C853—C852—H85C	109.4
C314—N306—C318	119.1 (7)	C853—C852—H85D	109.4
C314—N306—Zn43	114.6 (10)	C852—C853—H85E	109.4
C360—N320—C362	113.7 (7)	C852—C853—H85F	109.4
C344—N314—C342	114.9 (7)	C852—C853—C854	111 (2)
C361—N322—C362	114.6 (7)	H85E—C853—H85F	108.0
C323—N307—Zn33	120.0 (8)	C854—C853—H85E	109.4
C323—N307—Zn43	123.0 (9)	C854—C853—H85F	109.4
C319—N307—Zn33	121.5 (7)	C853—C854—H85G	109.3
C319—N307—C323	117.7 (6)	C853—C854—H85H	109.3
C319—N307—Zn43	119.2 (9)	H85G—C854—H85H	108.0
C312—N305—Zn32	122.3 (7)	C849—C854—C853	111.4 (19)
C312—N305—C311	118.3 (8)	C849—C854—H85G	109.3
C311—N305—Zn32	119.2 (6)	C849—C854—H85H	109.3
C342—N315—C343	113.2 (7)	C854—C849—H84A	109.3
C332—N312—Zn34	121.9 (6)	C854—C849—H84B	109.3
C332—N312—C336	118.0 (7)	H84A—C849—H84B	108.0
C336—N312—Zn34	120.1 (6)	C850—C849—C854	111.5 (19)
C360—N321—C361	113.9 (7)	C850—C849—H84A	109.3
C308—N302—C306	114.4 (7)	C850—C849—H84B	109.3
C341—N313—Zn34	120.1 (7)	C851—C850—H85I	109.1
C341—N313—C337	118.3 (9)	C851—C850—H85J	109.1
C337—N313—Zn34	121.6 (7)	C849—C850—C851	113 (2)
C350—N318—Zn36	120.5 (6)	C849—C850—H85I	109.1
C350—N318—C354	117.5 (8)	C849—C850—H85J	109.1
C354—N318—Zn36	121.8 (7)	H85I—C850—H85J	107.8
C329—N311—Zn32^vi	121.8 (6)	H83A—C839—H83B	107.6
C330—N311—Zn32^vi	119.6 (6)	C840—C839—H83A	108.6
C330—N311—C329	118.4 (7)	C840—C839—H83B	108.6
C348—N317—Zn35	120.8 (8)	C840—C839—C838	115 (2)
C348—N317—C347	117.3 (8)	C838—C839—H83A	108.6
C348—N317—Zn45	134.6 (9)	C838—C839—H83B	108.6
C347—N317—Zn35	121.5 (7)	C839—C840—H84C	108.8
C347—N317—Zn45	107.0 (8)	C839—C840—H84D	108.8
Zn31^iv—N323—Zn51^iv	37.7 (9)	H84C—C840—H84D	107.7
C365—N323—Zn31^iv	127.6 (7)	C841—C840—C839	113.9 (19)
C365—N323—C366	117.9 (8)	C841—C840—H84C	108.8
C365—N323—Zn41^iv	116.2 (7)	C841—C840—H84D	108.8
C365—N323—Zn51^iv	92.4 (11)	C840—C841—H84E	109.0
C366—N323—Zn31^iv	114.4 (7)	C840—C841—H84F	109.0
C366—N323—Zn41^iv	125.9 (8)	C840—C841—C842	112.9 (19)
C366—N323—Zn51^iv	147.6 (11)	H84E—C841—H84F	107.8
Zn41^iv—N323—Zn51^iv	25.6 (9)	C842—C841—H84E	109.0
C307—N303—C306	115.0 (7)	C842—C841—H84F	109.0
C355—N319—Zn36	119.9 (6)	C841—C842—H84G	109.3
C359—N319—Zn36	123.1 (6)	C841—C842—H84H	109.3
C359—N319—C355	116.8 (7)	C841—C842—C837	111.5 (19)
N309—C325—N310	125.6 (6)	H84G—C842—H84H	108.0
N309—C325—C327	117.2 (6)	C837—C842—H84G	109.3
N310—C325—C327	117.2 (6)	C837—C842—H84H	109.3
C368—N324—Zn35^v	123.3 (6)	C15B—C837—H83C	27.7
C368—N324—C372	117.5 (8)	C15B—C837—H83D	132.1
C368—N324—Zn45^v	121.0 (8)	C842—C837—C15B	86 (4)
C372—N324—Zn35^v	118.3 (7)	C842—C837—H83C	108.9
C372—N324—Zn45^v	121.2 (8)	C842—C837—H83D	108.9
C351—C352—C344	120.0 (8)	H83C—C837—H83D	107.7
C353—C352—C344	121.3 (7)	C838—C837—C15B	105 (4)
C353—C352—C351	118.6 (8)	C838—C837—C842	113.2 (19)
N309—C324—N308	125.3 (6)	C838—C837—H83C	108.9
N309—C324—C321	117.2 (6)	C838—C837—H83D	108.9
N308—C324—C321	117.4 (6)	C11B—C838—C839	130 (4)
N304—C307—C309	117.2 (8)	C11B—C838—C837	110 (4)
N303—C307—N304	125.0 (7)	C11B—C838—H83E	79.3
N303—C307—C309	117.8 (7)	C11B—C838—H83F	30.2
N304—C308—C316	116.0 (7)	C839—C838—C837	113.0 (18)
N302—C308—N304	126.4 (7)	C839—C838—H83E	109.0
N302—C308—C316	117.6 (7)	C839—C838—H83F	109.0
C317—C316—C308	121.0 (7)	C837—C838—H83E	109.0
C315—C316—C308	121.1 (8)	C837—C838—H83F	109.0
C315—C316—C317	117.9 (7)	H83E—C838—H83F	107.8
N316—C343—C345	116.9 (8)	H83G—C832—H83H	108.1
N315—C343—N316	125.7 (7)	C831—C832—H83G	109.6
N315—C343—C345	117.3 (7)	C831—C832—H83H	109.6
C333—C334—C326	122.4 (6)	C833—C832—H83G	109.6
C335—C334—C326	121.1 (7)	C833—C832—H83H	109.6
C335—C334—C333	116.5 (7)	C833—C832—C831	110 (2)
C322—C321—C324	121.3 (6)	C832—C831—H83I	109.9
C322—C321—C320	118.3 (7)	C832—C831—H83J	109.9
C320—C321—C324	120.3 (6)	C832—C831—C836	109 (2)
N308—C326—N310	125.3 (6)	H83I—C831—H83J	108.3
N308—C326—C334	118.1 (6)	C836—C831—H83I	109.9
N310—C326—C334	116.6 (6)	C836—C831—H83J	109.9
C328—C327—C325	120.9 (6)	C831—C836—H83K	109.9
C328—C327—C331	117.8 (7)	C831—C836—H83L	109.9
C331—C327—C325	121.3 (7)	H83K—C836—H83L	108.3
C313—C309—C307	122.1 (8)	C835—C836—C831	109 (2)
C313—C309—C310	116.4 (9)	C835—C836—H83K	109.9
C310—C309—C307	121.5 (9)	C835—C836—H83L	109.9
C12A—O3A—C15A	117.8 (12)	C836—C835—H83M	109.3
C8A—O2A—C14A	117.9 (11)	C836—C835—H83N	109.3
C334—C333—H333	120.3	H83M—C835—H83N	108.0
C334—C333—C332	119.4 (7)	C834—C835—C836	112 (2)
C332—C333—H333	120.3	C834—C835—H83M	109.3
C349—C345—C343	122.0 (8)	C834—C835—H83N	109.3
C346—C345—C343	120.0 (9)	C835—C834—H83O	108.9
C346—C345—C349	118.0 (8)	C835—C834—H83P	108.9
C305—N301—Zn31	124.8 (8)	C835—C834—C833	113 (2)
C305—N301—Zn41	115.8 (8)	H83O—C834—H83P	107.8
C305—N301—Zn51	93.7 (12)	C833—C834—H83O	108.9
C301—N301—Zn31	115.7 (8)	C833—C834—H83P	108.9
C301—N301—C305	119.2 (9)	C832—C833—H83Q	109.0
C301—N301—Zn41	124.9 (8)	C832—C833—H83R	109.0
C301—N301—Zn51	141.6 (13)	C834—C833—C832	113 (2)
C321—C322—H322	120.4	C834—C833—H83Q	109.0
C321—C322—C323	119.1 (7)	C834—C833—H83R	109.0
C323—C322—H322	120.4	H83Q—C833—H83R	107.8
C340—C339—C342	120.1 (8)	H85K—C856—H85L	108.4
C338—C339—C342	121.3 (8)	C855—C856—H85K	110.0
C338—C339—C340	118.6 (10)	C855—C856—H85L	110.0
C316—C317—H317	119.9	C857—C856—H85K	110.0
C318—C317—C316	120.1 (8)	C857—C856—H85L	110.0
C318—C317—H317	119.9	C857—C856—C855	108.6 (18)
N312—C332—C333	122.9 (8)	C856—C855—H85M	109.4
N312—C332—H332	118.6	C856—C855—H85N	109.4
C333—C332—H332	118.6	H85M—C855—H85N	108.0
N320—C362—N322	125.4 (7)	C860—C855—C856	111.3 (16)
N320—C362—C370	118.1 (7)	C860—C855—H85M	109.4
N322—C362—C370	116.4 (7)	C860—C855—H85N	109.4
C304—C303—C306	122.5 (8)	C855—C860—H86A	108.5
C304—C303—C302	117.7 (9)	C855—C860—H86B	108.5
C302—C303—C306	119.7 (9)	C855—C860—C859	115.0 (16)
N320—C360—C357	115.2 (7)	H86A—C860—H86B	107.5
N321—C360—N320	127.0 (8)	C859—C860—H86A	108.5
N321—C360—C357	117.8 (7)	C859—C860—H86B	108.5
N316—C344—C352	116.3 (8)	C860—C859—H85O	108.5
N314—C344—N316	125.6 (7)	C860—C859—H85P	108.5
N314—C344—C352	118.1 (7)	H85O—C859—H85P	107.5
C327—C328—H328	120.2	C858—C859—C860	115.3 (16)
C327—C328—C329	119.7 (7)	C858—C859—H85O	108.5
C329—C328—H328	120.2	C858—C859—H85P	108.5
N302—C306—C303	117.3 (8)	C859—C858—H85Q	108.9
N303—C306—N302	125.6 (8)	C859—C858—H85R	108.9
N303—C306—C303	117.1 (7)	C859—C858—C857	113.2 (16)
C370—C369—H369	120.9	H85Q—C858—H85R	107.8
C370—C369—C368	118.1 (8)	C857—C858—H85Q	108.9
C368—C369—H369	120.9	C857—C858—H85R	108.9
N306—C318—C317	121.1 (8)	C856—C857—H85S	109.8
N306—C318—H318	119.5	C856—C857—H85T	109.8
C317—C318—H318	119.5	C858—C857—C856	109.5 (16)
C352—C351—H351	121.1	C858—C857—H85S	109.8
C352—C351—C350	117.8 (9)	C858—C857—H85T	109.8
C350—C351—H351	121.1	H85S—C857—H85T	108.2
C364—C363—C361	123.0 (8)	H84I—C843—H84J	108.0
C364—C363—C367	117.6 (8)	C844—C843—H84I	109.3
C367—C363—C361	119.3 (7)	C844—C843—H84J	109.3
C369—C370—C362	121.6 (7)	C844—C843—C848	111 (2)
C369—C370—C371	119.7 (8)	C848—C843—H84I	109.3
C371—C370—C362	118.7 (7)	C848—C843—H84J	109.3
C358—C357—C360	120.8 (7)	C843—C844—H84K	109.6
C358—C357—C356	119.8 (8)	C843—C844—H84L	109.6
C356—C357—C360	119.4 (8)	C843—C844—C845	110 (2)
N318—C350—C351	124.2 (9)	H84K—C844—H84L	108.1
N318—C350—H350	117.9	C845—C844—H84K	109.6
C351—C350—H350	117.9	C845—C844—H84L	109.6
C321—C320—H320	120.2	C844—C845—H84M	109.6
C319—C320—C321	119.7 (7)	C844—C845—H84N	109.6
C319—C320—H320	120.2	C844—C845—C846	110 (2)
N317—C348—H348	118.4	H84M—C845—H84N	108.1
N317—C348—C349	123.3 (10)	C846—C845—H84M	109.6
C349—C348—H348	118.4	C846—C845—H84N	109.6
C334—C335—H335	119.7	C845—C846—H84O	109.5
C334—C335—C336	120.6 (8)	C845—C846—H84P	109.5
C336—C335—H335	119.7	C845—C846—C847	111 (2)
N312—C336—C335	122.4 (8)	H84O—C846—H84P	108.1
N312—C336—H336	118.8	C847—C846—H84O	109.5
C335—C336—H336	118.8	C847—C846—H84P	109.5
C345—C349—C348	118.9 (9)	C846—C847—H84Q	109.7
C345—C349—H349	120.5	C846—C847—H84R	109.7
C348—C349—H349	120.5	C846—C847—C848	109.7 (19)
N311—C329—C328	122.4 (8)	H84Q—C847—H84R	108.2
N311—C329—H329	118.8	C848—C847—H84Q	109.7
C328—C329—H329	118.8	C848—C847—H84R	109.7
N314—C342—N315	127.0 (9)	C843—C848—C847	110.1 (19)
N314—C342—C339	117.1 (7)	C843—C848—H84S	109.6
N315—C342—C339	115.9 (8)	C843—C848—H84T	109.6
N307—C323—C322	122.6 (7)	C847—C848—H84S	109.6
N307—C323—H323	118.7	C847—C848—H84T	109.6
C322—C323—H323	118.7	H84S—C848—H84T	108.2
C327—C331—H331	120.7	H86C—C861—H86D	107.9
C330—C331—C327	118.7 (8)	C862—C861—H86C	109.2
C330—C331—H331	120.7	C862—C861—H86D	109.2
N322—C361—N321	125.0 (7)	C866—C861—H86C	109.2
N322—C361—C363	116.1 (7)	C866—C861—H86D	109.2
N321—C361—C363	118.9 (7)	C866—C861—C862	112.1 (17)
C316—C315—H315	120.1	C861—C862—H86E	109.3
C316—C315—C314	119.8 (9)	C861—C862—H86F	109.3
C314—C315—H315	120.1	H86E—C862—H86F	108.0
C352—C353—H353	120.2	C863—C862—C861	111.4 (15)
C352—C353—C354	119.5 (9)	C863—C862—H86E	109.3
C354—C353—H353	120.2	C863—C862—H86F	109.3
C13A—O1A—H1A	109.5	C862—C863—H86G	108.4
N307—C319—C320	122.5 (7)	C862—C863—H86H	108.4
N307—C319—H319	118.7	C862—C863—C864	115.4 (17)
C320—C319—H319	118.7	H86G—C863—H86H	107.5
C363—C364—H364	120.5	C864—C863—H86G	108.4
C363—C364—C365	119.0 (9)	C864—C863—H86H	108.4
C365—C364—H364	120.5	C863—C864—H86I	109.3
C357—C358—H358	120.5	C863—C864—H86J	109.3
C359—C358—C357	119.0 (8)	C863—C864—C865	111.6 (16)
C359—C358—H358	120.5	H86I—C864—H86J	108.0
C339—C340—H340	121.1	C865—C864—H86I	109.3
C339—C340—C341	117.8 (10)	C865—C864—H86J	109.3
C341—C340—H340	121.1	C864—C865—H86K	109.7
N323—C365—C364	123.6 (9)	C864—C865—H86L	109.7
N323—C365—H365	118.2	H86K—C865—H86L	108.2
C364—C365—H365	118.2	C866—C865—C864	109.8 (16)
C309—C313—H313	119.6	C866—C865—H86K	109.7
C309—C313—C312	120.9 (9)	C866—C865—H86L	109.7
C312—C313—H313	119.6	C861—C866—C865	113.8 (16)
N319—C355—H355	118.2	C861—C866—H86M	108.8
N319—C355—C356	123.6 (8)	C861—C866—H86N	108.8
C356—C355—H355	118.2	C865—C866—H86M	108.8
N324—C368—C369	122.7 (8)	C865—C866—H86N	108.8
N324—C368—H368	118.6	H86M—C866—H86N	107.7
C369—C368—H368	118.6	H82K—C829—H82L	108.1
N318—C354—C353	122.0 (10)	C830—C829—H82K	109.6
N318—C354—H354	119.0	C830—C829—H82L	109.6
C353—C354—H354	119.0	C828—C829—H82K	109.6
C357—C356—C355	117.2 (8)	C828—C829—H82L	109.6
C357—C356—H356	121.4	C828—C829—C830	110 (3)
C355—C356—H356	121.4	C829—C830—H83S	109.5
C363—C367—H367	120.4	C829—C830—H83T	109.5
C363—C367—C366	119.2 (9)	H83S—C830—H83T	108.1
C366—C367—H367	120.4	C825—C830—C829	111 (2)
N311—C330—C331	123.0 (8)	C825—C830—H83S	109.5
N311—C330—H330	118.5	C825—C830—H83T	109.5
C331—C330—H330	118.5	C830—C825—H82M	109.5
N319—C359—C358	123.6 (9)	C830—C825—H82N	109.5
N319—C359—H359	118.2	H82M—C825—H82N	108.1
C358—C359—H359	118.2	C826—C825—C830	111 (2)
N323—C366—C367	122.7 (9)	C826—C825—H82M	109.5
N323—C366—H366	118.7	C826—C825—H82N	109.5
C367—C366—H366	118.7	C825—C826—H82O	109.6
C303—C304—H304	119.8	C825—C826—H82P	109.6
C305—C304—C303	120.4 (10)	C825—C826—C827	110 (2)
C305—C304—H304	119.8	H82O—C826—H82P	108.1
N305—C312—C313	122.0 (10)	C827—C826—H82O	109.6
N305—C312—H312	119.0	C827—C826—H82P	109.6
C313—C312—H312	119.0	C826—C827—H82Q	109.7
N306—C314—C315	121.8 (9)	C826—C827—H82R	109.7
N306—C314—H314	119.1	C826—C827—C828	110 (2)
C315—C314—H314	119.1	H82Q—C827—H82R	108.2
N313—C341—C340	124.1 (10)	C828—C827—H82Q	109.7
N313—C341—H341	117.9	C828—C827—H82R	109.7
C340—C341—H341	117.9	C829—C828—C827	111 (2)
C370—C371—H371	121.8	C829—C828—H82S	109.5
C370—C371—C372	116.4 (9)	C829—C828—H82T	109.5
C372—C371—H371	121.8	C827—C828—H82S	109.5
N301—C305—C304	122.1 (11)	C827—C828—H82T	109.5
N301—C305—H305	118.9	H82S—C828—H82T	108.1
C304—C305—H305	118.9	N323^iii—Zn51—I502	124.7 (16)
C2A—C1A—H1AA	120.0	N323^iii—Zn51—I501	81.9 (12)
C2A—C1A—C6A	120.0	N301—Zn51—N323^iii	93.5 (14)
C6A—C1A—H1AA	120.0	N301—Zn51—I502	136.8 (18)
C1A—C2A—H2A	120.0	N301—Zn51—I501	82.7 (12)
C3A—C2A—C1A	120.0	I502—Zn51—I501	118.7 (15)
C3A—C2A—H2A	120.0	H81C—C818—H81D	108.1
C2A—C3A—H3A	120.0	C813—C818—H81C	109.6
C2A—C3A—C4A	120.0	C813—C818—H81D	109.6
C4A—C3A—H3A	120.0	C813—C818—C809	29 (3)
C3A—C4A—C7A	118.3 (6)	C813—C818—C812	132 (4)
C5A—C4A—C3A	120.0	C817—C818—H81C	109.6
C5A—C4A—C7A	121.7 (6)	C817—C818—H81D	109.6
C4A—C5A—C13A	119.9 (7)	C817—C818—C813	110.4 (17)
C6A—C5A—C4A	120.0	C817—C818—C809	138 (3)
C6A—C5A—C13A	120.1 (7)	C817—C818—C812	62 (3)
C1A—C6A—H6A	120.0	C809—C818—H81C	99.5
C5A—C6A—C1A	120.0	C809—C818—H81D	88.1
C5A—C6A—H6A	120.0	C810—C818—H81C	126.9
N313—C337—H337	119.2	C810—C818—H81D	114.7
N313—C337—C338	121.7 (10)	C810—C818—C813	27 (3)
C338—C337—H337	119.2	C810—C818—C817	84 (3)
C12A—C7A—C4A	120.6 (9)	C810—C818—C809	54 (2)
C8A—C7A—C4A	120.2 (8)	C810—C818—C812	114 (4)
C8A—C7A—C12A	119.2 (9)	C811—C818—H81C	115.2
C339—C338—C337	119.5 (10)	C811—C818—H81D	115.7
C339—C338—H338	120.3	C811—C818—C813	98 (4)
C337—C338—H338	120.3	C811—C818—C817	12 (4)
N317—C347—H347	118.2	C811—C818—C809	126 (5)
N317—C347—C346	123.6 (10)	C811—C818—C810	72 (4)
C346—C347—H347	118.2	C811—C818—C812	70 (4)
C345—C346—C347	118.7 (11)	C812—C818—H81C	118.1
C345—C346—H346	120.6	C812—C818—H81D	48.3
C347—C346—H346	120.6	C812—C818—C809	128 (4)
N324—C372—C371	125.3 (9)	C818—C813—H81E	109.5
N324—C372—H372	117.3	C818—C813—H81F	109.5
C371—C372—H372	117.3	C818—C813—C811	31 (3)
O3A—C12A—C7A	114.9 (8)	H81E—C813—H81F	108.1
O3A—C12A—C11A	124.6 (10)	C814—C813—C818	110.8 (16)
C7A—C12A—C11A	120.5 (11)	C814—C813—H81E	109.5
C303—C302—H302	121.0	C814—C813—H81F	109.5
C301—C302—C303	117.9 (10)	C814—C813—C811	93 (2)
C301—C302—H302	121.0	C809—C813—C818	93 (5)
O2A—C8A—C7A	116.2 (8)	C809—C813—H81E	100.3
O2A—C8A—C9A	123.9 (11)	C809—C813—H81F	22.6
C7A—C8A—C9A	119.9 (11)	C809—C813—C814	132 (5)
N301—C301—C302	122.6 (10)	C809—C813—C811	123 (5)
N301—C301—H301	118.7	C810—C813—C818	73 (5)
C302—C301—H301	118.7	C810—C813—H81E	60.2
C8A—C9A—H9A	120.3	C810—C813—H81F	167.5
C10A—C9A—C8A	119.5 (11)	C810—C813—C814	80 (6)
C10A—C9A—H9A	120.3	C810—C813—C809	148 (10)
C9A—C10A—H10A	119.0	C810—C813—C811	43 (4)
C9A—C10A—C11A	122.1 (11)	C811—C813—H81E	94.1
C11A—C10A—H10A	119.0	C811—C813—H81F	140.3
C12A—C11A—H11A	120.6	C813—C814—H81G	109.6
C10A—C11A—C12A	118.8 (11)	C813—C814—H81H	109.6
C10A—C11A—H11A	120.6	C813—C814—C810	26 (2)
O3A—C15A—H15A	109.5	H81G—C814—H81H	108.1
O3A—C15A—H15B	109.5	C815—C814—C813	110.2 (15)
O3A—C15A—H15C	109.5	C815—C814—H81G	109.6
H15A—C15A—H15B	109.5	C815—C814—H81H	109.6
H15A—C15A—H15C	109.5	C815—C814—C810	85 (3)
H15B—C15A—H15C	109.5	C810—C814—H81G	116.7
O1A—C13A—C5A	113.9 (11)	C810—C814—H81H	124.7
O1A—C13A—H13A	108.8	C814—C815—H81I	109.6
O1A—C13A—H13B	108.8	C814—C815—H81J	109.6
C5A—C13A—H13A	108.8	C814—C815—C816	110.3 (15)
C5A—C13A—H13B	108.8	H81I—C815—H81J	108.1
H13A—C13A—H13B	107.7	C816—C815—H81I	109.6
C309—C310—H310	120.6	C816—C815—H81J	109.6
C309—C310—C311	118.8 (12)	C815—C816—H81K	109.5
C311—C310—H310	120.6	C815—C816—H81L	109.5
N305—C311—C310	123.3 (11)	C815—C816—C811	95 (2)
N305—C311—H311	118.3	H81K—C816—H81L	108.1
C310—C311—H311	118.3	C817—C816—C815	110.9 (17)
O2A—C14A—H14A	109.5	C817—C816—H81K	109.5
O2A—C14A—H14B	109.5	C817—C816—H81L	109.5
O2A—C14A—H14C	109.5	C817—C816—C811	20 (2)
H14A—C14A—H14B	109.5	C811—C816—H81K	127.8
H14A—C14A—H14C	109.5	C811—C816—H81L	105.5
H14B—C14A—H14C	109.5	C818—C817—H81M	109.5
N306—Zn43—N307	101.5 (8)	C818—C817—H81N	109.5
N306—Zn43—I405	108.9 (10)	C818—C817—C812	60 (3)
N306—Zn43—I406	108.3 (12)	C816—C817—C818	110.5 (17)
N307—Zn43—I405	109.7 (12)	C816—C817—H81M	109.5
N307—Zn43—I406	99.0 (10)	C816—C817—H81N	109.5
I405—Zn43—I406	126.4 (8)	C816—C817—C812	169 (4)
N317—Zn45—N324^ii	104.4 (8)	H81M—C817—H81N	108.1
N317—Zn45—I409	112.3 (8)	C811—C817—C818	22 (8)
N317—Zn45—I410	97.9 (7)	C811—C817—C816	98 (7)
N324^ii—Zn45—I409	112.1 (7)	C811—C817—H81M	131.1
N324^ii—Zn45—I410	99.5 (7)	C811—C817—H81N	99.4
I410—Zn45—I409	127.6 (6)	C811—C817—C812	74 (8)
N323^iii—Zn41—I402	114.1 (7)	C812—C817—H81M	72.7
N323^iii—Zn41—I401	99.0 (5)	C812—C817—H81N	78.8
N301—Zn41—N323^iii	104.1 (7)	H80M—C807—H80N	107.5
N301—Zn41—I402	113.7 (6)	C808—C807—H80M	108.5
N301—Zn41—I401	101.2 (6)	C808—C807—H80N	108.5
I402—Zn41—I401	122.2 (6)	C812—C807—H80M	108.5
C5B—C4B—C3B	120.0	C812—C807—H80N	108.5
C5B—C4B—C7B	119.8 (15)	C812—C807—C808	115 (2)
C3B—C4B—C7B	119.8 (15)	C807—C808—H80O	108.9
C4B—C5B—C6B	120.0	C807—C808—H80P	108.9
C4B—C5B—C13B	114.9 (17)	H80O—C808—H80P	107.7
C6B—C5B—C13B	125.0 (17)	C809—C808—C807	113.3 (18)
C5B—C6B—H6B	120.0	C809—C808—H80O	108.9
C5B—C6B—C1B	120.0	C809—C808—H80P	108.9
C1B—C6B—H6B	120.0	C818—C809—H80Q	91.6
C6B—C1B—H1B	120.0	C818—C809—H80R	157.4
C6B—C1B—C2B	120.0	C813—C809—C818	58 (4)
C2B—C1B—H1B	120.0	C813—C809—C808	126 (4)
C1B—C2B—H2B	120.0	C813—C809—H80Q	96.9
C3B—C2B—C1B	120.0	C813—C809—H80R	107.2
C3B—C2B—H2B	120.0	C813—C809—C810	14 (4)
C4B—C3B—H3B	120.0	C808—C809—C818	74 (3)
C2B—C3B—C4B	120.0	C808—C809—H80Q	108.9
C2B—C3B—H3B	120.0	C808—C809—H80R	108.9
C12B—C7B—C4B	118.8 (14)	C808—C809—C810	113.4 (17)
C12B—C7B—C8B	120.0	H80Q—C809—H80R	107.7
C8B—C7B—C4B	121.1 (14)	C810—C809—C818	52 (2)
C11B—C12B—C7B	120.0	C810—C809—H80Q	108.9
O3B—C12B—C7B	114.2 (17)	C810—C809—H80R	108.9
O3B—C12B—C11B	125.6 (17)	C818—C810—C814	111 (5)
C12B—C11B—H11B	120.0	C818—C810—C809	74 (3)
C10B—C11B—C12B	120.0	C818—C810—H81O	123.2
C10B—C11B—H11B	120.0	C818—C810—H81P	125.3
C838—C11B—C12B	119 (3)	C818—C810—C811	39 (3)
C838—C11B—H11B	14.2	C813—C810—C818	80 (5)
C838—C11B—C10B	119 (3)	C813—C810—C814	74 (6)
C11B—C10B—H10B	120.0	C813—C810—C809	18 (6)
C11B—C10B—C9B	120.0	C813—C810—H81O	91.5
C9B—C10B—H10B	120.0	C813—C810—H81P	119.3
C10B—C9B—H9B	120.0	C813—C810—C811	118 (6)
C10B—C9B—C8B	120.0	C814—C810—H81O	19.3
C8B—C9B—H9B	120.0	C814—C810—H81P	123.1
C9B—C8B—C7B	120.0	C809—C810—C814	92 (5)
O2B—C8B—C7B	119 (2)	C809—C810—H81O	108.9
O2B—C8B—C9B	121 (2)	C809—C810—H81P	108.9
C8B—O2B—C14B	118 (3)	C809—C810—C811	113 (2)
C12B—O3B—C15B	117 (3)	H81O—C810—H81P	107.7
H80A—C805—H80B	109.5	C811—C810—C814	110 (5)
C806—C805—H80A	111.7	C811—C810—H81O	108.9
C806—C805—H80B	111.7	C811—C810—H81P	108.9
C806—C805—C804	100 (4)	C818—C811—C813	51 (3)
C804—C805—H80A	111.7	C818—C811—C816	134 (8)
C804—C805—H80B	111.7	C818—C811—C810	68 (3)
H80C—C801—H80D	108.0	C818—C811—H81Q	177.4
C806—C801—H80C	109.5	C818—C811—H81R	74.0
C806—C801—H80D	109.5	C818—C811—C812	72 (4)
C806—C801—C802	111 (5)	C813—C811—H81Q	126.6
C802—C801—H80C	109.5	C813—C811—H81R	95.9
C802—C801—H80D	109.5	C816—C811—C813	107 (4)
H80E—C803—H80F	108.9	C816—C811—H81Q	46.8
C804—C803—H80E	110.9	C816—C811—H81R	68.5
C804—C803—H80F	110.9	C817—C811—C818	146 (10)
C804—C803—C802	104 (5)	C817—C811—C813	163 (10)
C802—C803—H80E	110.9	C817—C811—C816	63 (6)
C802—C803—H80F	110.9	C817—C811—C810	145 (10)
C805—C806—C801	118 (5)	C817—C811—H81Q	36.3
C805—C806—H80G	107.7	C817—C811—H81R	92.4
C805—C806—H80H	107.7	C817—C811—C812	84 (9)
C801—C806—H80G	107.7	C810—C811—C813	18 (2)
C801—C806—H80H	107.7	C810—C811—C816	99 (4)
H80G—C806—H80H	107.1	C810—C811—H81Q	109.1
H82A—C823—H82B	108.3	C810—C811—H81R	109.1
C822—C823—H82A	110.0	H81Q—C811—H81R	107.8
C822—C823—H82B	110.0	C812—C811—C813	107 (2)
C824—C823—H82A	110.0	C812—C811—C816	146 (4)
C824—C823—H82B	110.0	C812—C811—C810	112.6 (18)
C824—C823—C822	109 (6)	C812—C811—H81Q	109.1
C823—C822—H82C	108.7	C812—C811—H81R	109.1
C823—C822—H82D	108.7	C818—C812—C817	59 (3)
C823—C822—C821	114 (6)	C818—C812—H81S	144.8
H82C—C822—H82D	107.6	C818—C812—H81T	98.4
C821—C822—H82C	108.7	C817—C812—H81S	92.3
C821—C822—H82D	108.7	C817—C812—H81T	102.6
C822—C821—H82E	110.5	C807—C812—C818	83 (3)
C822—C821—H82F	110.5	C807—C812—C817	134 (3)
H82E—C821—H82F	108.7	C807—C812—C811	113.4 (17)
C820—C821—C822	106 (5)	C807—C812—H81S	108.9
C820—C821—H82E	110.5	C807—C812—H81T	108.9
C820—C821—H82F	110.5	C811—C812—C818	39 (3)
H81A—C819—H81B	109.4	C811—C812—C817	21 (3)
C820—C819—H81A	111.6	C811—C812—H81S	108.9
C820—C819—H81B	111.6	C811—C812—H81T	108.9
C824—C819—H81A	111.6	H81S—C812—H81T	107.7
C824—C819—H81B	111.6
Zn33—N306—C318—C317	172.1 (7)	C11B—C12B—O3B—C15B	−3 (6)
Zn33—N306—C314—C315	−171.4 (9)	C11B—C10B—C9B—C8B	0.0
Zn33—N307—C323—C322	171.7 (11)	C10B—C11B—C838—C839	6 (7)
Zn33—N307—C319—C320	−171.1 (11)	C10B—C11B—C838—C837	154 (3)
Zn32—N305—C312—C313	178.2 (9)	C10B—C9B—C8B—C7B	0.0
Zn32—N305—C311—C310	178.5 (16)	C10B—C9B—C8B—O2B	177 (2)
Zn32^vi—N311—C329—C328	174.4 (7)	C9B—C8B—O2B—C14B	9 (5)
Zn32^vi—N311—C330—C331	−175.9 (9)	C8B—C7B—C12B—C11B	0.0
Zn36—N318—C350—C351	171.1 (7)	C8B—C7B—C12B—O3B	−175 (3)
Zn36—N318—C354—C353	−172.6 (8)	O3B—C12B—C11B—C10B	174 (3)
Zn36—N319—C355—C356	−173.3 (10)	O3B—C12B—C11B—C838	10 (4)
Zn36—N319—C359—C358	171.9 (9)	O3B—C15B—C837—C842	−169 (6)
Zn34—N312—C332—C333	179.6 (7)	O3B—C15B—C837—C838	−56 (6)
Zn34—N312—C336—C335	179.3 (8)	C806—C805—C804—C803	−67 (6)
Zn34—N313—C341—C340	−178.0 (10)	C806—C801—C802—C803	46 (8)
Zn34—N313—C337—C338	177.6 (9)	C823—C822—C821—C820	−51 (6)
Zn35—N317—C348—C349	−171.8 (6)	C822—C823—C824—C819	−57 (6)
Zn35—N317—C347—C346	173.5 (11)	C822—C821—C820—C819	55 (7)
Zn35^v—N324—C368—C369	−170.7 (8)	C820—C819—C824—C823	53 (6)
Zn35^v—N324—C372—C371	168.1 (13)	C824—C823—C822—C821	53 (6)
Zn31^iv—N323—C365—C364	−178.2 (9)	C824—C819—C820—C821	−54 (7)
Zn31^iv—N323—C366—C367	177.8 (10)	C804—C805—C806—C801	56 (8)
Zn31—N301—C305—C304	−172.2 (11)	C804—C803—C802—C801	−53 (7)
Zn31—N301—C301—C302	172.4 (13)	C802—C801—C806—C805	−49 (8)
N309—C325—C327—C328	7.9 (12)	C802—C803—C804—C805	68 (6)
N309—C325—C327—C331	−173.3 (8)	C15B—C837—C838—C11B	64 (5)
N309—C324—C321—C322	179.8 (8)	C15B—C837—C838—C839	−142 (5)
N309—C324—C321—C320	−2.3 (12)	C13B—C5B—C6B—C1B	176 (2)
N308—C324—C321—C322	−1.0 (12)	C851—C852—C853—C854	56 (5)
N308—C324—C321—C320	176.9 (8)	C852—C851—C850—C849	52 (5)
N304—C307—C309—C313	21.1 (13)	C852—C853—C854—C849	−56 (5)
N304—C307—C309—C310	−157.5 (12)	C853—C854—C849—C850	54 (5)
N304—C308—C316—C317	10.2 (10)	C854—C849—C850—C851	−52 (5)
N304—C308—C316—C315	−168.9 (8)	C850—C851—C852—C853	−54 (5)
N310—C325—C327—C328	−171.1 (8)	C839—C840—C841—C842	49 (5)
N310—C325—C327—C331	7.6 (12)	C840—C839—C838—C11B	−168 (6)
N316—C343—C345—C349	−2.3 (11)	C840—C839—C838—C837	45 (5)
N316—C343—C345—C346	177.5 (9)	C840—C841—C842—C837	−53 (5)
N320—C362—C370—C369	2.5 (14)	C841—C842—C837—C15B	159 (5)
N320—C362—C370—C371	−178.2 (11)	C841—C842—C837—C838	54 (5)
N320—C360—C357—C358	1.8 (15)	C842—C837—C838—C11B	157 (4)
N320—C360—C357—C356	−177.2 (10)	C842—C837—C838—C839	−50 (5)
N322—C362—C370—C369	−179.3 (9)	C838—C11B—C10B—C9B	164 (4)
N322—C362—C370—C371	0.0 (15)	C838—C839—C840—C841	−45 (6)
N315—C343—C345—C349	174.8 (7)	C832—C831—C836—C835	63 (4)
N315—C343—C345—C346	−5.4 (12)	C831—C832—C833—C834	53 (6)
N321—C360—C357—C358	−178.7 (10)	C831—C836—C835—C834	−58 (5)
N321—C360—C357—C356	2.2 (15)	C836—C835—C834—C833	51 (5)
N302—C308—C316—C317	−168.8 (7)	C835—C834—C833—C832	−48 (6)
N302—C308—C316—C315	12.1 (11)	C833—C832—C831—C836	−61 (5)
N313—C337—C338—C339	−0.2 (19)	C856—C855—C860—C859	48 (4)
N317—C348—C349—C345	0.3 (13)	C855—C856—C857—C858	63 (3)
N317—C347—C346—C345	−4 (2)	C855—C860—C859—C858	−39 (5)
N303—C307—C309—C313	−161.6 (10)	C860—C859—C858—C857	43 (4)
N303—C307—C309—C310	19.8 (16)	C859—C858—C857—C856	−55 (4)
N319—C355—C356—C357	1 (2)	C857—C856—C855—C860	−60 (3)
C325—N309—C324—N308	0.7 (11)	C843—C844—C845—C846	57 (5)
C325—N309—C324—C321	179.9 (7)	C844—C843—C848—C847	57 (5)
C325—N310—C326—N308	5.7 (12)	C844—C845—C846—C847	−58 (4)
C325—N310—C326—C334	−173.7 (7)	C845—C846—C847—C848	59 (4)
C325—C327—C328—C329	178.0 (8)	C846—C847—C848—C843	−58 (4)
C325—C327—C331—C330	−179.2 (9)	C848—C843—C844—C845	−57 (5)
C352—C351—C350—N318	0.4 (13)	C861—C862—C863—C864	49 (4)
C352—C353—C354—N318	2.8 (16)	C862—C861—C866—C865	54 (4)
C324—N309—C325—N310	−3.0 (11)	C862—C863—C864—C865	−52 (4)
C324—N309—C325—C327	178.1 (7)	C863—C864—C865—C866	52 (3)
C324—N308—C326—N310	−7.7 (11)	C864—C865—C866—C861	−55 (4)
C324—N308—C326—C334	171.7 (7)	C866—C861—C862—C863	−49 (4)
C324—C321—C322—C323	178.2 (9)	C829—C830—C825—C826	57 (5)
C324—C321—C320—C319	−177.8 (9)	C830—C829—C828—C827	58 (5)
C307—N304—C308—N302	3.5 (11)	C830—C825—C826—C827	−57 (5)
C307—N304—C308—C316	−175.4 (6)	C825—C826—C827—C828	58 (5)
C307—N303—C306—N302	4.7 (13)	C826—C827—C828—C829	−58 (5)
C307—N303—C306—C303	−177.4 (8)	C828—C829—C830—C825	−57 (5)
C307—C309—C313—C312	−178.2 (10)	Zn51^iv—N323—C365—C364	167.3 (13)
C307—C309—C310—C311	175.4 (15)	Zn51^iv—N323—C366—C367	−157.3 (19)
C308—N304—C307—N303	−1.8 (11)	Zn51—N301—C305—C304	160.9 (16)
C308—N304—C307—C309	175.3 (7)	Zn51—N301—C301—C302	−147 (2)
C308—N302—C306—N303	−3.2 (13)	C818—C813—C814—C815	58 (3)
C308—N302—C306—C303	178.9 (8)	C818—C813—C814—C810	67 (6)
C308—C316—C317—C318	−175.7 (7)	C818—C813—C809—C808	−32 (11)
C308—C316—C315—C314	176.1 (9)	C818—C813—C809—C810	−62 (17)
C316—C317—C318—N306	−0.6 (12)	C818—C813—C810—C814	−115 (3)
C316—C315—C314—N306	−0.3 (17)	C818—C813—C810—C809	68 (19)
C343—N316—C344—N314	1.2 (10)	C818—C813—C810—C811	−11 (5)
C343—N316—C344—C352	−177.2 (6)	C818—C817—C811—C813	−177 (64)
C343—N315—C342—N314	1.6 (11)	C818—C817—C811—C816	129 (22)
C343—N315—C342—C339	−179.4 (6)	C818—C817—C811—C810	−167 (39)
C343—C345—C349—C348	176.8 (7)	C818—C817—C811—C812	−45 (23)
C343—C345—C346—C347	−175.2 (11)	C818—C817—C812—C807	40 (7)
C334—C333—C332—N312	0.4 (14)	C818—C817—C812—C811	17 (11)
C334—C335—C336—N312	1.7 (18)	C818—C809—C810—C813	−109 (20)
C321—C322—C323—N307	−0.9 (16)	C818—C809—C810—C814	−112 (5)
C321—C320—C319—N307	0.0 (17)	C818—C809—C810—C811	1 (4)
C326—N308—C324—N309	4.2 (11)	C818—C810—C811—C813	−17 (8)
C326—N308—C324—C321	−174.9 (7)	C818—C810—C811—C816	−133 (8)
C326—N310—C325—N309	0.1 (11)	C818—C810—C811—C817	172 (23)
C326—N310—C325—C327	179.0 (7)	C818—C810—C811—C812	58 (5)
C326—C334—C333—C332	−176.6 (8)	C818—C811—C812—C817	−156 (15)
C326—C334—C335—C336	175.6 (9)	C818—C811—C812—C807	42 (7)
C327—C328—C329—N311	1.3 (15)	C813—C818—C817—C816	57 (4)
C327—C331—C330—N311	1.3 (18)	C813—C818—C817—C811	1 (26)
C309—C313—C312—N305	−0.7 (19)	C813—C818—C817—C812	−127 (4)
C309—C310—C311—N305	7 (3)	C813—C818—C809—C808	154 (8)
O3A—C12A—C11A—C10A	−179.9 (13)	C813—C818—C809—C810	16 (6)
O2A—C8A—C9A—C10A	−178.8 (12)	C813—C818—C810—C814	68 (6)
C333—C334—C326—N308	11.2 (12)	C813—C818—C810—C809	−17 (7)
C333—C334—C326—N310	−169.4 (8)	C813—C818—C810—C811	165 (7)
C333—C334—C335—C336	−3.0 (15)	C813—C818—C811—C816	75 (8)
C322—C321—C320—C319	0.3 (15)	C813—C818—C811—C817	−179 (24)
C339—C340—C341—N313	0.8 (19)	C813—C818—C811—C810	−7 (3)
C317—C316—C315—C314	−3.0 (14)	C813—C818—C811—C812	−131 (4)
C332—N312—C336—C335	0.7 (16)	C813—C818—C812—C817	93 (4)
C362—N320—C360—N321	−5.0 (15)	C813—C818—C812—C807	−59 (5)
C362—N320—C360—C357	174.4 (8)	C813—C818—C812—C811	83 (5)
C362—N322—C361—N321	−6.6 (14)	C813—C814—C815—C816	−57 (3)
C362—N322—C361—C363	171.5 (8)	C813—C814—C810—C818	−73 (6)
C362—C370—C371—C372	177.6 (12)	C813—C814—C810—C809	1 (5)
C303—C304—C305—N301	0 (2)	C813—C814—C810—C811	−115 (7)
C303—C302—C301—N301	1 (2)	C813—C809—C810—C818	109 (20)
C360—N320—C362—N322	1.2 (14)	C813—C809—C810—C814	−3 (17)
C360—N320—C362—C370	179.2 (8)	C813—C809—C810—C811	110 (20)
C360—N321—C361—N322	3.4 (14)	C813—C810—C811—C818	17 (8)
C360—N321—C361—C363	−174.6 (8)	C813—C810—C811—C816	−116 (10)
C360—C357—C358—C359	−178.0 (10)	C813—C810—C811—C817	−171 (21)
C360—C357—C356—C355	176.9 (11)	C813—C810—C811—C812	75 (10)
C344—N316—C343—N315	−1.7 (10)	C813—C811—C812—C818	−38 (3)
C344—N316—C343—C345	175.1 (6)	C813—C811—C812—C817	167 (15)
C344—N314—C342—N315	−2.1 (12)	C813—C811—C812—C807	4 (8)
C344—N314—C342—C339	178.9 (7)	C814—C813—C809—C818	−122 (7)
C344—C352—C351—C350	−178.1 (7)	C814—C813—C809—C808	−153 (6)
C344—C352—C353—C354	176.6 (9)	C814—C813—C809—C810	176 (23)
C328—C327—C331—C330	−0.4 (15)	C814—C813—C810—C818	115 (3)
C306—N302—C308—N304	−1.2 (12)	C814—C813—C810—C809	−177 (18)
C306—N302—C308—C316	177.6 (7)	C814—C813—C810—C811	104 (7)
C306—N303—C307—N304	−1.9 (13)	C814—C815—C816—C817	57 (3)
C306—N303—C307—C309	−179.0 (8)	C814—C815—C816—C811	45 (4)
C306—C303—C304—C305	−179.0 (11)	C814—C810—C811—C818	99 (6)
C306—C303—C302—C301	178.7 (12)	C814—C810—C811—C813	82 (10)
C369—C370—C371—C372	−3 (2)	C814—C810—C811—C816	−34 (5)
C318—N306—C314—C315	3.3 (15)	C814—C810—C811—C817	−89 (19)
C351—C352—C344—N316	−174.5 (7)	C814—C810—C811—C812	157 (6)
C351—C352—C344—N314	7.0 (11)	C815—C814—C810—C818	98 (4)
C351—C352—C353—C354	−6.4 (14)	C815—C814—C810—C813	171 (6)
C363—C364—C365—N323	1.3 (17)	C815—C814—C810—C809	172 (4)
C363—C367—C366—N323	0.1 (18)	C815—C814—C810—C811	56 (4)
C370—C369—C368—N324	2.1 (17)	C815—C816—C817—C818	−57 (4)
C370—C371—C372—N324	4 (3)	C815—C816—C817—C811	−39 (12)
C357—C358—C359—N319	1.3 (19)	C815—C816—C817—C812	−78 (21)
C350—N318—C354—C353	2.4 (15)	C815—C816—C811—C818	−73 (9)
C320—C321—C322—C323	0.2 (14)	C815—C816—C811—C813	−22 (5)
C348—N317—C347—C346	1.0 (19)	C815—C816—C811—C817	143 (11)
C335—C334—C326—N308	−167.3 (8)	C815—C816—C811—C810	−5 (5)
C335—C334—C326—N310	12.1 (12)	C815—C816—C811—C812	156 (12)
C335—C334—C333—C332	1.9 (13)	C816—C817—C811—C818	−129 (22)
C336—N312—C332—C333	−1.8 (15)	C816—C817—C811—C813	55 (42)
C349—C345—C346—C347	4.6 (17)	C816—C817—C811—C810	65 (18)
C329—N311—C330—C331	−0.9 (17)	C816—C817—C811—C812	−173 (4)
C342—N314—C344—N316	0.5 (11)	C816—C817—C812—C818	22 (21)
C342—N314—C344—C352	178.9 (6)	C816—C817—C812—C807	62 (25)
C342—N315—C343—N316	0.5 (10)	C816—C817—C812—C811	40 (17)
C342—N315—C343—C345	−176.3 (7)	C816—C811—C812—C818	145 (15)
C342—C339—C340—C341	−179.9 (10)	C816—C811—C812—C817	−11 (7)
C342—C339—C338—C337	179.6 (10)	C816—C811—C812—C807	−173 (11)
C323—N307—C319—C320	−0.6 (16)	C817—C818—C813—C814	−58 (3)
C331—C327—C328—C329	−0.8 (14)	C817—C818—C813—C809	165 (7)
C361—N322—C362—N320	4.1 (14)	C817—C818—C813—C810	15 (8)
C361—N322—C362—C370	−174.0 (8)	C817—C818—C813—C811	0 (5)
C361—N321—C360—N320	2.9 (15)	C817—C818—C809—C813	−21 (9)
C361—N321—C360—C357	−176.5 (9)	C817—C818—C809—C808	133 (6)
C361—C363—C364—C365	177.1 (9)	C817—C818—C809—C810	−5 (6)
C361—C363—C367—C366	−177.8 (10)	C817—C818—C810—C813	−166 (7)
C315—C316—C317—C318	3.5 (12)	C817—C818—C810—C814	−98 (4)
C353—C352—C344—N316	2.5 (11)	C817—C818—C810—C809	177 (4)
C353—C352—C344—N314	−176.0 (8)	C817—C818—C810—C811	−2 (5)
C353—C352—C351—C350	4.8 (12)	C817—C818—C811—C813	179 (24)
C319—N307—C323—C322	1.1 (16)	C817—C818—C811—C816	−106 (29)
C364—C363—C361—N322	−171.2 (9)	C817—C818—C811—C810	172 (25)
C364—C363—C361—N321	7.0 (14)	C817—C818—C811—C812	47 (25)
C364—C363—C367—C366	0.3 (16)	C817—C818—C812—C807	−152 (5)
C358—C357—C356—C355	−2.2 (18)	C817—C818—C812—C811	−10 (6)
C340—C339—C342—N314	19.3 (12)	C817—C816—C811—C818	143 (18)
C340—C339—C342—N315	−159.9 (9)	C817—C816—C811—C813	−165 (15)
C340—C339—C338—C337	1.4 (17)	C817—C816—C811—C810	−148 (14)
C365—N323—C366—C367	0.2 (17)	C817—C816—C811—C812	12 (7)
C313—C309—C310—C311	−3 (2)	C817—C811—C812—C818	156 (15)
C355—N319—C359—C358	−2.4 (18)	C817—C811—C812—C807	−163 (12)
C368—N324—C372—C371	−1 (2)	C807—C808—C809—C818	−44 (6)
C368—C369—C370—C362	179.7 (9)	C807—C808—C809—C813	−17 (14)
C368—C369—C370—C371	0.4 (16)	C807—C808—C809—C810	−9 (9)
C354—N318—C350—C351	−4.0 (13)	C808—C807—C812—C818	−13 (5)
C356—C357—C358—C359	1.1 (18)	C808—C807—C812—C817	−47 (10)
C367—C363—C361—N322	6.9 (14)	C808—C807—C812—C811	−38 (8)
C367—C363—C361—N321	−174.9 (9)	C808—C809—C810—C818	−45 (7)
C367—C363—C364—C365	−0.9 (16)	C808—C809—C810—C813	−153 (22)
C330—N311—C329—C328	−0.5 (15)	C808—C809—C810—C814	−156 (7)
C359—N319—C355—C356	1.1 (18)	C808—C809—C810—C811	−43 (8)
C366—N323—C365—C364	−0.9 (16)	C809—C818—C813—C814	137 (7)
C304—C303—C306—N302	−17.1 (15)	C809—C818—C813—C810	−151 (11)
C304—C303—C306—N303	164.9 (10)	C809—C818—C813—C811	−166 (8)
C304—C303—C302—C301	1 (2)	C809—C818—C817—C816	68 (6)
C312—N305—C311—C310	−7 (3)	C809—C818—C817—C811	12 (27)
C314—N306—C318—C317	−2.8 (12)	C809—C818—C817—C812	−117 (6)
C341—N313—C337—C338	−0.8 (18)	C809—C818—C810—C813	17 (7)
C305—N301—C301—C302	−2 (2)	C809—C818—C810—C814	85 (5)
C1A—C2A—C3A—C4A	0.0	C809—C818—C810—C811	−178 (5)
C2A—C1A—C6A—C5A	0.0	C809—C818—C811—C813	9 (5)
C2A—C3A—C4A—C5A	0.0	C809—C818—C811—C816	83 (10)
C2A—C3A—C4A—C7A	177.9 (8)	C809—C818—C811—C817	−170 (22)
C3A—C4A—C5A—C6A	0.0	C809—C818—C811—C810	2 (5)
C3A—C4A—C5A—C13A	178.4 (11)	C809—C818—C811—C812	−123 (7)
C3A—C4A—C7A—C12A	72.5 (12)	C809—C818—C812—C817	131 (5)
C3A—C4A—C7A—C8A	−106.0 (11)	C809—C818—C812—C807	−21 (7)
C4A—C5A—C6A—C1A	0.0	C809—C818—C812—C811	121 (6)
C4A—C5A—C13A—O1A	158.5 (9)	C809—C813—C814—C815	172 (9)
C4A—C7A—C12A—O3A	1.6 (17)	C809—C813—C814—C810	−178 (12)
C4A—C7A—C12A—C11A	−178.6 (11)	C809—C813—C810—C818	−68 (19)
C4A—C7A—C8A—O2A	−2.3 (16)	C809—C813—C810—C814	177 (18)
C4A—C7A—C8A—C9A	178.0 (10)	C809—C813—C810—C811	−79 (21)
C5A—C4A—C7A—C12A	−109.7 (11)	C809—C810—C811—C818	−2 (5)
C5A—C4A—C7A—C8A	71.9 (12)	C809—C810—C811—C813	−19 (7)
C6A—C1A—C2A—C3A	0.0	C809—C810—C811—C816	−135 (7)
C6A—C5A—C13A—O1A	−23.1 (17)	C809—C810—C811—C817	170 (19)
C337—N313—C341—C340	0.5 (18)	C809—C810—C811—C812	56 (6)
C7A—C4A—C5A—C6A	−177.8 (8)	C810—C818—C813—C814	−72 (7)
C7A—C4A—C5A—C13A	0.5 (11)	C810—C818—C813—C809	151 (11)
C7A—C12A—C11A—C10A	0 (2)	C810—C818—C813—C811	−15 (7)
C7A—C8A—C9A—C10A	0.9 (19)	C810—C818—C817—C816	64 (4)
C338—C339—C342—N314	−158.9 (9)	C810—C818—C817—C811	8 (24)
C338—C339—C342—N315	22.0 (12)	C810—C818—C817—C812	−121 (5)
C338—C339—C340—C341	−1.7 (16)	C810—C818—C809—C813	−16 (6)
C347—N317—C348—C349	0.7 (14)	C810—C818—C809—C808	138 (6)
C346—C345—C349—C348	−3.0 (13)	C810—C818—C811—C813	7 (3)
C372—N324—C368—C369	−1.6 (18)	C810—C818—C811—C816	82 (8)
C12A—C7A—C8A—O2A	179.2 (11)	C810—C818—C811—C817	−172 (25)
C12A—C7A—C8A—C9A	−0.5 (19)	C810—C818—C811—C812	−124 (4)
C302—C303—C306—N302	165.5 (11)	C810—C818—C812—C817	69 (5)
C302—C303—C306—N303	−12.6 (15)	C810—C818—C812—C807	−83 (5)
C302—C303—C304—C305	−2 (2)	C810—C818—C812—C811	59 (4)
C8A—C7A—C12A—O3A	−179.9 (11)	C810—C813—C814—C815	−10 (6)
C8A—C7A—C12A—C11A	−0.1 (19)	C810—C813—C809—C818	62 (17)
C8A—C9A—C10A—C11A	−1 (2)	C810—C813—C809—C808	31 (25)
C301—N301—C305—C304	1 (2)	C810—C814—C815—C816	−62 (3)
C9A—C10A—C11A—C12A	0 (2)	C810—C811—C812—C818	−56 (5)
C15A—O3A—C12A—C7A	173.6 (11)	C810—C811—C812—C817	148 (15)
C15A—O3A—C12A—C11A	−6.2 (19)	C810—C811—C812—C807	−14 (9)
C13A—C5A—C6A—C1A	−178.3 (10)	C811—C818—C813—C814	−57 (6)
C310—C309—C313—C312	0.5 (19)	C811—C818—C813—C809	166 (8)
C311—N305—C312—C313	3.9 (19)	C811—C818—C813—C810	15 (7)
C14A—O2A—C8A—C7A	179.5 (14)	C811—C818—C817—C816	56 (25)
C14A—O2A—C8A—C9A	−1 (2)	C811—C818—C817—C812	−128 (27)
Zn43—N306—C318—C317	171.8 (8)	C811—C818—C809—C813	−18 (10)
Zn43—N306—C314—C315	−171.9 (10)	C811—C818—C809—C808	136 (8)
Zn43—N307—C323—C322	−179.5 (11)	C811—C818—C809—C810	−2 (6)
Zn43—N307—C319—C320	180.0 (12)	C811—C818—C810—C813	−165 (7)
Zn45—N317—C348—C349	−165.0 (9)	C811—C818—C810—C814	−96 (6)
Zn45—N317—C347—C346	170.5 (13)	C811—C818—C810—C809	178 (5)
Zn45^v—N324—C368—C369	172.3 (10)	C811—C818—C812—C817	10 (6)
Zn45^v—N324—C372—C371	−175.3 (14)	C811—C818—C812—C807	−142 (6)
Zn41^iv—N323—C365—C364	177.2 (10)	C811—C813—C814—C815	32 (4)
Zn41^iv—N323—C366—C367	−177.7 (10)	C811—C813—C814—C810	42 (5)
Zn41—N301—C305—C304	178.6 (12)	C811—C813—C809—C818	9 (5)
Zn41—N301—C301—C302	−178.7 (13)	C811—C813—C809—C808	−23 (14)
C4B—C5B—C6B—C1B	0.0	C811—C813—C809—C810	−54 (15)
C4B—C5B—C13B—O1B	−163 (4)	C811—C813—C810—C818	11 (5)
C4B—C7B—C12B—C11B	178 (2)	C811—C813—C810—C814	−104 (7)
C4B—C7B—C12B—O3B	3 (3)	C811—C813—C810—C809	79 (21)
C4B—C7B—C8B—C9B	−178 (2)	C811—C816—C817—C818	−18 (10)
C4B—C7B—C8B—O2B	5 (3)	C811—C816—C817—C812	−38 (17)
C5B—C4B—C3B—C2B	0.0	C811—C817—C812—C818	−17 (11)
C5B—C4B—C7B—C12B	−93 (2)	C811—C817—C812—C807	22 (15)
C5B—C4B—C7B—C8B	85 (2)	C812—C818—C813—C814	−127 (4)
C5B—C6B—C1B—C2B	0.0	C812—C818—C813—C809	96 (7)
C6B—C5B—C13B—O1B	21 (5)	C812—C818—C813—C810	−55 (8)
C6B—C1B—C2B—C3B	0.0	C812—C818—C813—C811	−70 (5)
C1B—C2B—C3B—C4B	0.0	C812—C818—C817—C816	−176 (5)
C3B—C4B—C5B—C6B	0.0	C812—C818—C817—C811	128 (27)
C3B—C4B—C5B—C13B	−177 (2)	C812—C818—C809—C813	−109 (6)
C3B—C4B—C7B—C12B	94 (2)	C812—C818—C809—C808	45 (7)
C3B—C4B—C7B—C8B	−88 (2)	C812—C818—C809—C810	−93 (5)
C7B—C4B—C5B—C6B	−172 (2)	C812—C818—C810—C813	138 (6)
C7B—C4B—C5B—C13B	11 (3)	C812—C818—C810—C814	−154 (4)
C7B—C4B—C3B—C2B	172 (2)	C812—C818—C810—C809	121 (5)
C7B—C12B—C11B—C10B	0.0	C812—C818—C810—C811	−58 (4)
C7B—C12B—C11B—C838	−164 (4)	C812—C818—C811—C813	131 (4)
C7B—C12B—O3B—C15B	172 (5)	C812—C818—C811—C816	−154 (9)
C7B—C8B—O2B—C14B	−174 (4)	C812—C818—C811—C817	−47 (25)
C12B—C7B—C8B—C9B	0.0	C812—C818—C811—C810	124 (4)
C12B—C7B—C8B—O2B	−177 (2)	C812—C817—C811—C818	45 (23)
C12B—C11B—C10B—C9B	0.0	C812—C817—C811—C813	−132 (41)
C12B—C11B—C838—C839	170 (4)	C812—C817—C811—C816	173 (4)
C12B—C11B—C838—C837	−42 (5)	C812—C817—C811—C810	−122 (17)
C12B—O3B—C15B—C837	27 (8)	C812—C807—C808—C809	51 (7)

Symmetry codes: (i) x+1/2, −y+2, z+1/2; (ii) x−1/2, −y+1, z−1/2; (iii) x+1/2, −y+1, z−1/2; (iv) x−1/2, −y+1, z+1/2; (v) x+1/2, −y+1, z+1/2; (vi) x−1/2, −y+2, z−1/2.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (50_10_48b)

Crystal data

C72H48I12N24Zn6·0.896(C15H16O3)·0.789(C6H12)	F(000) = 6473
Mr = 3449.54	Dx = 1.437 Mg m^−3
Monoclinic, P2/n	Cu Kα radiation, λ = 1.54184 Å
a = 31.5685 (8) Å	Cell parameters from 16519 reflections
b = 15.0410 (3) Å	θ = 2.8–70.6°
c = 34.3133 (9) Å	µ = 19.56 mm^−1
β = 101.955 (2)°	T = 100 K
V = 15939.3 (7) Å^3	Block, light yellow
Z = 4	0.23 × 0.15 × 0.07 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	28902 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	22231 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.050
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.1°
profile data from ω–scans	h = −37→37
Absorption correction: analytical CrysAlisPro 1.171.41.122a (Rigaku Oxford Diffraction, 2021) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −18→14
Tmin = 0.104, Tmax = 0.359	l = −41→41
96418 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.122	H-atom parameters constrained
wR(F^2) = 0.345	w = 1/[σ^2(Fo^2) + (0.1298P)^2 + 275.2107P] where P = (Fo^2 + 2Fc^2)/3
S = 1.09	(Δ/σ)max = 0.002
28902 reflections	Δρmax = 1.42 e Å^−3
1713 parameters	Δρmin = −1.24 e Å^−3
903 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). Exchange site B was located over a two-fold symmetry axis and was modelled in PART -1. During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I308	0.3818 (3)	−0.3957 (7)	0.7315 (3)	0.094 (3)	0.4791
I303	0.5842 (2)	0.9944 (5)	0.3492 (3)	0.0788 (14)	0.4839
I307	0.4383 (3)	−0.4669 (4)	0.6248 (3)	0.099 (2)	0.4791
I409	0.6118 (6)	0.4877 (7)	0.8607 (5)	0.170 (8)	0.392
I411	0.6702 (4)	−0.4569 (6)	0.9932 (3)	0.217 (9)	0.47 (3)
I412	0.77664 (13)	−0.4633 (4)	1.1000 (2)	0.081 (2)	0.47 (3)
I306	0.70328 (12)	0.0191 (3)	0.50867 (12)	0.0732 (8)	0.533 (3)
I410	0.5007 (4)	0.3448 (11)	0.9003 (3)	0.163 (7)	0.392
I302	0.8586 (2)	0.8893 (5)	0.7271 (3)	0.0944 (19)	0.4733
I304	0.4858 (3)	0.8290 (7)	0.3955 (4)	0.134 (5)	0.4839
I305	0.80005 (11)	0.0972 (2)	0.61509 (12)	0.0802 (8)	0.533 (3)
I301	0.93025 (18)	0.9953 (3)	0.63584 (14)	0.0831 (11)	0.4733
Zn34	0.4111 (4)	−0.3564 (7)	0.6703 (4)	0.069 (3)	0.4791
Zn45	0.5739 (5)	0.3496 (9)	0.8802 (4)	0.084 (9)	0.392
Zn32	0.5538 (3)	0.8493 (7)	0.3695 (3)	0.068 (4)	0.4839
Zn46	0.7060 (6)	−0.4029 (7)	1.0614 (5)	0.0866 (8)	0.47 (3)
Zn31	0.8942 (3)	0.8704 (5)	0.6689 (3)	0.078 (3)	0.4733
Zn33	0.7263 (2)	0.1132 (5)	0.5702 (2)	0.0622 (13)	0.533 (3)
N321	0.7300 (4)	0.1894 (7)	1.0400 (3)	0.053 (3)
N302	1.0170 (4)	0.4831 (7)	0.7210 (4)	0.058 (3)
N303	1.0731 (4)	0.4002 (8)	0.7012 (4)	0.062 (3)
N320	0.6905 (4)	0.0586 (7)	1.0218 (4)	0.061 (3)
N316	0.5372 (4)	0.0227 (8)	0.7290 (4)	0.064 (3)
N317	0.4578 (4)	−0.2569 (9)	0.6869 (4)	0.068 (4)
N322	0.7493 (4)	0.0589 (7)	1.0770 (3)	0.055 (3)
N324	0.7097 (5)	−0.2640 (8)	1.0585 (4)	0.073 (4)
N305	1.1608 (5)	0.4205 (8)	0.5958 (4)	0.072 (4)
N310	0.6874 (4)	0.5642 (7)	0.5054 (4)	0.070 (4)
N301	1.0447 (5)	0.2332 (9)	0.8190 (4)	0.073 (4)
N304	1.0478 (5)	0.5322 (9)	0.6668 (4)	0.072 (4)
C361	0.7540 (4)	0.1437 (8)	1.0688 (4)	0.047 (3)
N319	0.6142 (5)	0.2822 (8)	0.9225 (4)	0.075 (4)
N323	0.8607 (4)	0.2828 (7)	1.1392 (4)	0.069 (4)
N309	0.7221 (4)	0.7016 (7)	0.5209 (4)	0.069 (4)
N315	0.5670 (4)	−0.0250 (8)	0.6745 (4)	0.064 (3)
N318	0.5670 (5)	0.2668 (8)	0.8302 (4)	0.070 (3)
N312	0.7184 (5)	0.2485 (9)	0.5552 (5)	0.081 (4)
N306	0.9404 (5)	0.7721 (11)	0.6798 (6)	0.090 (5)
N308	0.7436 (4)	0.5745 (8)	0.5617 (4)	0.069 (3)
N307	0.8504 (5)	0.8045 (8)	0.6248 (5)	0.083 (5)
N314	0.5930 (5)	0.1057 (9)	0.7104 (4)	0.077 (4)
N311	0.6008 (5)	0.7816 (9)	0.4082 (4)	0.081 (4)
C357	0.6689 (5)	0.1917 (9)	0.9852 (4)	0.062 (4)
C308	1.0209 (5)	0.5404 (9)	0.6918 (5)	0.065 (4)
C303	1.0442 (5)	0.3497 (9)	0.7572 (4)	0.058 (4)
C343	0.5410 (5)	−0.0330 (10)	0.7000 (4)	0.058 (3)
O2A	0.2547 (7)	0.0295 (11)	0.6852 (5)	0.087 (5)	0.7033
C352	0.5657 (6)	0.1527 (9)	0.7660 (5)	0.065 (4)
C301	1.0680 (5)	0.2151 (11)	0.7915 (6)	0.075 (5)
H301	1.084904	0.162419	0.793698	0.090*
C360	0.6974 (4)	0.1427 (8)	1.0165 (4)	0.052 (3)
C370	0.7147 (4)	−0.0811 (8)	1.0547 (4)	0.052 (3)
C316	0.9945 (5)	0.6233 (9)	0.6893 (5)	0.066 (4)
C363	0.7912 (4)	0.1948 (8)	1.0940 (4)	0.053 (3)
C309	1.1040 (5)	0.4456 (9)	0.6465 (5)	0.066 (4)
C372	0.7326 (5)	−0.2180 (10)	1.0880 (4)	0.064 (4)
H372	0.747241	−0.249215	1.110904	0.077*
C344	0.5653 (5)	0.0928 (10)	0.7329 (5)	0.065 (4)
C306	1.0446 (5)	0.4132 (9)	0.7233 (4)	0.059 (4)
C302	1.0676 (5)	0.2735 (10)	0.7590 (5)	0.065 (4)
H302	1.083327	0.259754	0.738983	0.079*
C362	0.7189 (5)	0.0166 (8)	1.0506 (4)	0.057 (3)
C325	0.6921 (6)	0.6483 (10)	0.5007 (5)	0.070 (4)
C355	0.6501 (6)	0.3168 (10)	0.9436 (5)	0.074 (5)
H355	0.657510	0.375051	0.936731	0.089*
C345	0.5133 (5)	−0.1148 (9)	0.6967 (4)	0.057 (3)
O3A	0.3919 (5)	0.0727 (10)	0.7666 (5)	0.085 (5)	0.7033
C348	0.4634 (5)	−0.2072 (10)	0.7211 (5)	0.063 (4)
H348	0.448740	−0.222512	0.741734	0.076*
C334	0.7153 (5)	0.4305 (10)	0.5432 (5)	0.065 (4)
C367	0.8187 (5)	0.1498 (9)	1.1237 (5)	0.071 (5)
H367	0.814367	0.088625	1.128588	0.085*
C358	0.6328 (6)	0.1504 (9)	0.9622 (5)	0.081 (6)
H358	0.627550	0.089063	0.965753	0.098*
C371	0.7366 (5)	−0.1282 (10)	1.0874 (5)	0.070 (4)
H371	0.754227	−0.098029	1.109203	0.084*
C349	0.4902 (6)	−0.1359 (10)	0.7249 (5)	0.070 (4)
H349	0.493063	−0.099485	0.747963	0.084*
C315	0.9683 (6)	0.6410 (11)	0.7155 (6)	0.079 (5)
H315	0.968605	0.603163	0.737697	0.095*
O1A	0.2905 (5)	0.2408 (12)	0.8061 (5)	0.093 (6)	0.7033
H1A	0.263718	0.238009	0.797112	0.140*	0.7033
C356	0.6777 (5)	0.2762 (9)	0.9746 (4)	0.065 (4)
H356	0.702670	0.306548	0.988578	0.078*
C324	0.7472 (6)	0.6606 (10)	0.5522 (5)	0.072 (4)
C365	0.8334 (6)	0.3238 (9)	1.1094 (6)	0.082 (6)
H365	0.837821	0.384757	1.104097	0.098*
N313	0.6778 (7)	0.0925 (12)	0.6026 (6)	0.104 (6)
C339	0.6230 (6)	0.0621 (13)	0.6528 (5)	0.077 (5)
C368	0.6879 (6)	−0.2199 (10)	1.0280 (5)	0.072 (5)
H368	0.670473	−0.252262	1.006810	0.087*
C307	1.0728 (5)	0.4620 (11)	0.6733 (4)	0.065 (4)
C314	0.9404 (6)	0.7166 (11)	0.7092 (5)	0.077 (5)
H314	0.921356	0.726950	0.726843	0.093*
C304	1.0183 (7)	0.3654 (13)	0.7838 (5)	0.086 (6)
H304	1.000040	0.416135	0.781461	0.103*
C366	0.8534 (6)	0.1974 (9)	1.1467 (5)	0.082 (6)
H366	0.872243	0.168159	1.168028	0.098*
C346	0.5090 (6)	−0.1698 (11)	0.6632 (5)	0.078 (5)
H346	0.524970	−0.158995	0.643031	0.094*
C320	0.7892 (5)	0.7997 (10)	0.5699 (6)	0.076 (5)
H320	0.771490	0.828882	0.547894	0.092*
C326	0.7145 (6)	0.5274 (9)	0.5349 (5)	0.067 (4)
C328	0.6652 (6)	0.7834 (11)	0.4597 (6)	0.087 (5)
H328	0.688327	0.816669	0.475052	0.105*
C7A	0.3233 (5)	0.0473 (9)	0.7253 (6)	0.060 (5)	0.7033
C330	0.5980 (7)	0.6937 (10)	0.4162 (6)	0.103 (7)
H330	0.573984	0.661528	0.401620	0.124*
C353	0.5339 (7)	0.1571 (14)	0.7855 (7)	0.095 (6)
H353	0.508981	0.121268	0.776630	0.114*
C336	0.6940 (6)	0.2795 (12)	0.5246 (6)	0.083 (5)
H336	0.676614	0.239678	0.506601	0.099*
C321	0.7831 (5)	0.7122 (9)	0.5779 (5)	0.069 (4)
C327	0.6612 (6)	0.6966 (10)	0.4666 (5)	0.078 (5)
C364	0.7988 (5)	0.2788 (10)	1.0861 (6)	0.079 (5)
H364	0.780610	0.308207	1.064455	0.095*
C310	1.1380 (7)	0.3927 (13)	0.6570 (6)	0.095 (6)
H310	1.143717	0.363127	0.682049	0.115*
C311	1.1651 (7)	0.3820 (14)	0.6298 (7)	0.103 (7)
H311	1.188895	0.342525	0.637240	0.123*
C332	0.7410 (8)	0.3033 (11)	0.5816 (6)	0.092 (6)
H332	0.758648	0.279737	0.605169	0.110*
C342	0.5929 (6)	0.0450 (11)	0.6811 (5)	0.078 (5)
C305	1.0199 (7)	0.3030 (12)	0.8151 (6)	0.089 (6)
H305	1.002041	0.312592	0.833872	0.107*
C369	0.6891 (6)	−0.1292 (10)	1.0251 (5)	0.075 (5)
H369	0.672237	−0.099796	1.002641	0.090*
C333	0.7395 (7)	0.3932 (10)	0.5759 (6)	0.094 (6)
H333	0.756206	0.430444	0.595630	0.113*
C313	1.0968 (6)	0.4874 (14)	0.6095 (5)	0.086 (5)
H313	1.072657	0.525411	0.600984	0.103*
C331	0.6285 (7)	0.6467 (12)	0.4451 (6)	0.094 (6)
H331	0.626310	0.584471	0.449098	0.112*
C319	0.8229 (6)	0.8451 (11)	0.5959 (6)	0.082 (5)
H319	0.825913	0.907306	0.592480	0.099*
C359	0.6049 (7)	0.1992 (11)	0.9343 (6)	0.093 (6)
H359	0.577739	0.173689	0.922524	0.111*
C318	0.9658 (8)	0.7553 (14)	0.6563 (8)	0.112 (8)
H318	0.964855	0.795278	0.634684	0.135*
C335	0.6913 (7)	0.3738 (11)	0.5159 (6)	0.084 (5)
H335	0.673587	0.395751	0.492024	0.101*
C4A	0.3207 (7)	0.1457 (8)	0.7155 (5)	0.065 (5)	0.7033
C337	0.6431 (8)	0.0413 (16)	0.5915 (7)	0.104 (7)
H337	0.636866	0.017971	0.565199	0.125*
C8A	0.2900 (7)	−0.0100 (10)	0.7093 (6)	0.075 (6)	0.7033
C329	0.6355 (6)	0.8239 (12)	0.4301 (6)	0.089 (5)
H329	0.639574	0.884933	0.424669	0.107*
C322	0.8098 (7)	0.6695 (10)	0.6089 (6)	0.108 (9)
H322	0.805553	0.609404	0.615653	0.130*
C347	0.4807 (7)	−0.2399 (12)	0.6605 (7)	0.089 (6)
H347	0.477793	−0.278159	0.638065	0.106*
C312	1.1257 (7)	0.4716 (14)	0.5860 (6)	0.092 (6)
H312	1.120494	0.499252	0.560592	0.111*
C323	0.8431 (8)	0.7205 (12)	0.6294 (7)	0.127 (11)
H323	0.863405	0.690699	0.649521	0.153*
C3A	0.3253 (6)	0.1716 (9)	0.6776 (5)	0.066 (6)	0.7033
H3A	0.329189	0.128072	0.658572	0.079*	0.7033
C5A	0.3139 (8)	0.2094 (10)	0.7436 (5)	0.082 (7)	0.7033
C1A	0.3186 (6)	0.3248 (11)	0.6959 (6)	0.075 (7)	0.7033
H1AA	0.318740	0.386199	0.689344	0.090*	0.7033
C12A	0.3603 (6)	0.0144 (9)	0.7501 (6)	0.074 (6)	0.7033
C338	0.6154 (8)	0.0206 (14)	0.6168 (7)	0.101 (7)
H338	0.592358	−0.020527	0.609367	0.121*
C341	0.6816 (11)	0.137 (2)	0.6341 (10)	0.158 (14)
H341	0.702555	0.183519	0.639245	0.189*
C317	0.9951 (8)	0.6838 (14)	0.6589 (7)	0.108 (7)
H317	1.014117	0.677483	0.640953	0.130*
C354	0.5352 (7)	0.2123 (13)	0.8186 (7)	0.097 (6)
H354	0.512336	0.209563	0.832802	0.116*
C11A	0.3645 (8)	−0.0755 (10)	0.7581 (7)	0.091 (7)	0.7033
H11A	0.389987	−0.098275	0.774753	0.110*	0.7033
C10A	0.3311 (7)	−0.1317 (12)	0.7415 (7)	0.094 (8)	0.7033
H10A	0.333745	−0.193621	0.746984	0.113*	0.7033
C2A	0.3244 (7)	0.2616 (10)	0.6678 (6)	0.069 (6)	0.7033
H2A	0.327605	0.279718	0.642040	0.083*	0.7033
C6A	0.3127 (7)	0.2996 (10)	0.7331 (6)	0.088 (7)	0.7033
H6A	0.307822	0.343455	0.751660	0.106*	0.7033
C340	0.6559 (8)	0.1205 (18)	0.6616 (7)	0.121 (9)
H340	0.661534	0.150332	0.686528	0.145*
C9A	0.2941 (8)	−0.1003 (12)	0.7172 (7)	0.095 (8)	0.7033
H9A	0.271491	−0.140028	0.705934	0.114*	0.7033
C14A	0.2178 (9)	−0.025 (2)	0.6704 (9)	0.102 (10)	0.7033
H14A	0.224287	−0.065133	0.650077	0.153*	0.7033
H14B	0.193250	0.013341	0.658708	0.153*	0.7033
H14C	0.210621	−0.059116	0.692383	0.153*	0.7033
C13A	0.3121 (10)	0.1795 (13)	0.7854 (6)	0.099 (9)	0.7033
H13A	0.296968	0.121468	0.783845	0.119*	0.7033
H13B	0.341962	0.170536	0.800732	0.119*	0.7033
C450	0.5792 (18)	0.297 (2)	0.7969 (10)	0.084 (5)	0.36 (2)
H450	0.589347	0.356591	0.796817	0.101*	0.36 (2)
C451	0.5776 (18)	0.245 (2)	0.7624 (11)	0.084 (5)	0.36 (2)
H451	0.583972	0.268256	0.738569	0.101*	0.36 (2)
C15A	0.4298 (8)	0.039 (3)	0.7907 (13)	0.150 (16)	0.7033
H15A	0.447019	0.008465	0.774060	0.225*	0.7033
H15B	0.422213	−0.003113	0.809965	0.225*	0.7033
H15C	0.446743	0.087987	0.804992	0.225*	0.7033
I403	0.5860 (4)	0.9921 (5)	0.3582 (4)	0.119 (4)	0.4669
Zn42	0.5512 (3)	0.8424 (8)	0.3684 (3)	0.088 (5)	0.4669
I404	0.4851 (2)	0.8299 (8)	0.3980 (4)	0.120 (4)	0.4669
I309	0.6054 (3)	0.4927 (5)	0.8660 (3)	0.0838 (19)	0.4367
Zn35	0.5714 (4)	0.3462 (7)	0.8808 (3)	0.063 (6)	0.4367
I310	0.49903 (19)	0.3279 (8)	0.9014 (3)	0.099 (2)	0.4367
I406	0.6809 (4)	0.0344 (4)	0.4932 (3)	0.187 (5)	0.440 (3)
Zn43	0.7126 (4)	0.1101 (6)	0.5584 (4)	0.145 (7)	0.440 (3)
I405	0.7872 (3)	0.0675 (5)	0.5977 (4)	0.218 (5)	0.440 (3)
I408	0.3832 (2)	−0.3827 (6)	0.7426 (3)	0.083 (2)	0.4738
Zn44	0.4087 (4)	−0.3523 (7)	0.6788 (4)	0.064 (3)	0.4738
I407	0.4337 (3)	−0.4721 (5)	0.6364 (4)	0.125 (4)	0.4738
I401	0.9343 (2)	0.9762 (3)	0.6180 (2)	0.141 (3)	0.4935
Zn41	0.8985 (3)	0.8746 (7)	0.6621 (3)	0.089 (4)	0.4935
I402	0.8684 (3)	0.9101 (5)	0.7223 (3)	0.126 (3)	0.4935
I312	0.7782 (3)	−0.4553 (5)	1.0933 (4)	0.193 (6)	0.53 (3)
Zn36	0.7041 (5)	−0.4028 (6)	1.0595 (5)	0.0866 (8)	0.53 (3)
I311	0.67195 (14)	−0.4629 (4)	0.99141 (15)	0.086 (2)	0.53 (3)
I509	0.5901 (11)	0.4914 (11)	0.8638 (10)	0.201 (19)	0.1712
Zn55	0.5639 (18)	0.346 (3)	0.8709 (11)	0.113 (15)	0.1712
I510	0.4980 (11)	0.337 (2)	0.9014 (6)	0.28 (2)	0.1712
I506	0.6413 (17)	0.052 (4)	0.4854 (15)	0.080*	0.026 (2)
I505	0.7629 (17)	0.054 (4)	0.5684 (15)	0.080*	0.026 (2)
Zn53	0.678 (3)	0.114 (8)	0.5429 (10)	0.080*	0.026 (2)
I507	0.9105 (10)	0.479 (2)	1.1464 (10)	0.080*	0.0471
I508	0.8609 (12)	0.393 (2)	1.2477 (10)	0.080*	0.0471
Zn54	0.882 (2)	0.358 (4)	1.1836 (18)	0.080*	0.0471
I503	0.5630 (11)	0.988 (2)	0.3720 (10)	0.080*	0.0492
Zn52	0.5330 (16)	0.835 (3)	0.3838 (19)	0.080*	0.0492
I504	0.4667 (11)	0.795 (2)	0.4099 (8)	0.080*	0.0492
I501	0.9030 (14)	0.990 (3)	0.6467 (11)	0.080*	0.0332
I502	0.8765 (15)	0.892 (3)	0.7470 (9)	0.080*	0.0332
Zn51	0.8856 (8)	0.845 (2)	0.6795 (7)	0.080*	0.0332
C350	0.6042 (9)	0.2501 (19)	0.8175 (8)	0.084 (5)	0.64 (2)
H350	0.630453	0.274526	0.832133	0.101*	0.64 (2)
C351	0.6056 (9)	0.1980 (19)	0.7835 (8)	0.084 (5)	0.64 (2)
H351	0.631010	0.192997	0.772888	0.101*	0.64 (2)
C801	0.8324 (17)	0.310 (3)	0.4077 (12)	0.137 (19)	0.3434
H80A	0.836701	0.372029	0.399681	0.164*	0.3434
H80B	0.814297	0.311106	0.428071	0.164*	0.3434
C806	0.8096 (15)	0.256 (4)	0.3713 (13)	0.16 (2)	0.3434
H80C	0.803804	0.194996	0.379812	0.187*	0.3434
H80D	0.781461	0.283997	0.359605	0.187*	0.3434
C805	0.8376 (18)	0.251 (4)	0.3397 (10)	0.16 (2)	0.3434
H80E	0.823271	0.212105	0.317675	0.190*	0.3434
H80F	0.839926	0.311287	0.328632	0.190*	0.3434
C804	0.8832 (18)	0.215 (3)	0.3567 (13)	0.15 (2)	0.3434
H80G	0.881313	0.151762	0.363402	0.183*	0.3434
H80H	0.901024	0.220480	0.336243	0.183*	0.3434
C803	0.9052 (15)	0.267 (4)	0.3941 (13)	0.15 (2)	0.3434
H80I	0.910817	0.328512	0.386791	0.180*	0.3434
H80J	0.933351	0.238471	0.405635	0.180*	0.3434
C802	0.8765 (18)	0.267 (4)	0.4253 (9)	0.14 (2)	0.3434
H80K	0.891123	0.301084	0.449068	0.171*	0.3434
H80L	0.872139	0.205533	0.433738	0.171*	0.3434
C811	0.583 (3)	0.211 (5)	0.4533 (18)	0.12 (2)	0.1878
H81A	0.573093	0.258759	0.433652	0.142*	0.1878
H81B	0.614320	0.202111	0.455251	0.142*	0.1878
C810	0.559 (3)	0.124 (6)	0.4391 (14)	0.13 (2)	0.1878
H81C	0.527014	0.135258	0.434419	0.152*	0.1878
H81D	0.565692	0.105777	0.413519	0.152*	0.1878
C809	0.571 (3)	0.049 (5)	0.470 (2)	0.13 (2)	0.1878
H80M	0.601509	0.033430	0.472116	0.150*	0.1878
H80N	0.553014	−0.003984	0.460552	0.150*	0.1878
C808	0.563 (3)	0.077 (5)	0.5109 (17)	0.12 (2)	0.1878
H80O	0.572778	0.029600	0.530473	0.146*	0.1878
H80P	0.531642	0.087051	0.509311	0.146*	0.1878
C807	0.588 (2)	0.164 (5)	0.5248 (14)	0.12 (2)	0.1878
H80Q	0.581909	0.182044	0.550822	0.141*	0.1878
H80R	0.619373	0.152789	0.528304	0.141*	0.1878
C812	0.574 (3)	0.239 (5)	0.494 (2)	0.12 (2)	0.1878
H81E	0.591067	0.293203	0.503448	0.150*	0.1878
H81F	0.543266	0.252057	0.491794	0.150*	0.1878
C4B	0.7392 (17)	0.240 (2)	0.7635 (15)	0.091 (11)	0.1925
C3B	0.7231 (18)	0.169 (3)	0.7819 (14)	0.080 (13)	0.1925
H3B	0.705116	0.179365	0.800453	0.096*	0.1925
C2B	0.733 (2)	0.082 (2)	0.7733 (16)	0.078 (14)	0.1925
H2B	0.722539	0.033592	0.785841	0.094*	0.1925
C1B	0.760 (3)	0.067 (2)	0.7462 (18)	0.085 (14)	0.1925
H1B	0.766941	0.007563	0.740236	0.102*	0.1925
C6B	0.776 (2)	0.138 (3)	0.7278 (16)	0.087 (13)	0.1925
H6B	0.793921	0.127308	0.709242	0.105*	0.1925
C5B	0.7655 (16)	0.224 (3)	0.7364 (14)	0.094 (12)	0.1925
C7B	0.7288 (14)	0.332 (3)	0.7743 (13)	0.102 (13)	0.1925
C12B	0.7560 (14)	0.379 (3)	0.8045 (13)	0.101 (14)	0.1925
C11B	0.7436 (19)	0.461 (3)	0.8164 (13)	0.102 (15)	0.1925
H11B	0.762168	0.492992	0.837086	0.122*	0.1925
C10B	0.704 (2)	0.497 (3)	0.7981 (16)	0.103 (16)	0.1925
H10B	0.695398	0.553846	0.806267	0.123*	0.1925
C9B	0.6767 (16)	0.451 (3)	0.7679 (15)	0.108 (16)	0.1925
H9B	0.649596	0.475626	0.755402	0.129*	0.1925
C8B	0.6892 (13)	0.368 (3)	0.7560 (12)	0.109 (15)	0.1925
O3B	0.7937 (18)	0.335 (4)	0.8205 (18)	0.107 (16)	0.1925
O2B	0.6630 (18)	0.321 (4)	0.7262 (17)	0.125 (18)	0.1925
C816	0.579 (3)	0.462 (5)	0.691 (2)	0.19 (3)	0.2575
H81G	0.554409	0.419854	0.684068	0.230*	0.2575
H81H	0.595566	0.458850	0.669204	0.230*	0.2575
C815	0.608 (3)	0.434 (4)	0.730 (3)	0.18 (3)	0.2575
H81I	0.590926	0.428924	0.750950	0.219*	0.2575
H81J	0.620662	0.374025	0.726944	0.219*	0.2575
C814	0.646 (2)	0.499 (5)	0.744 (3)	0.19 (3)	0.2575
H81K	0.661562	0.482025	0.770870	0.225*	0.2575
H81L	0.665898	0.496216	0.725633	0.225*	0.2575
C813	0.629 (3)	0.595 (5)	0.745 (3)	0.19 (3)	0.2575
H81M	0.654593	0.635748	0.750682	0.230*	0.2575
H81N	0.614027	0.600944	0.767622	0.230*	0.2575
C818	0.599 (3)	0.623 (4)	0.706 (3)	0.20 (3)	0.2575
H81O	0.615644	0.628277	0.685198	0.236*	0.2575
H81P	0.586555	0.682223	0.710176	0.236*	0.2575
C817	0.562 (2)	0.556 (5)	0.693 (3)	0.20 (3)	0.2575
H81Q	0.544589	0.574212	0.667184	0.240*	0.2575
H81R	0.542589	0.557500	0.712864	0.240*	0.2575
C14B	0.626 (3)	0.364 (7)	0.703 (3)	0.14 (3)	0.1925
H14D	0.632237	0.380705	0.676863	0.208*	0.1925
H14E	0.619170	0.417263	0.716564	0.208*	0.1925
H14F	0.601166	0.323253	0.698489	0.208*	0.1925
C15B	0.822 (3)	0.369 (9)	0.855 (3)	0.14 (3)	0.1925
H15D	0.824764	0.433667	0.852634	0.207*	0.1925
H15E	0.850651	0.341508	0.858187	0.207*	0.1925
H15F	0.810132	0.355936	0.878842	0.207*	0.1925
C13B	0.781 (2)	0.301 (4)	0.715 (2)	0.106 (17)	0.1925
H13C	0.790635	0.350921	0.733548	0.127*	0.1925
H13D	0.806060	0.282474	0.703353	0.127*	0.1925
O1B	0.746 (3)	0.329 (6)	0.684 (2)	0.14 (3)	0.1925
H1BA	0.723381	0.302359	0.685857	0.203*	0.1925

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I308	0.102 (4)	0.057 (2)	0.106 (5)	−0.0059 (18)	−0.016 (3)	0.032 (3)
I303	0.090 (3)	0.043 (2)	0.081 (3)	0.0110 (16)	−0.034 (2)	0.0042 (16)
I307	0.101 (3)	0.0359 (18)	0.138 (6)	−0.0038 (19)	−0.023 (3)	−0.033 (2)
I409	0.266 (17)	0.047 (5)	0.132 (10)	−0.052 (7)	−0.112 (9)	0.026 (5)
I411	0.42 (2)	0.085 (5)	0.199 (10)	−0.111 (8)	0.186 (13)	−0.084 (5)
I412	0.065 (3)	0.033 (2)	0.140 (5)	0.0047 (14)	0.009 (2)	−0.0226 (17)
I306	0.0995 (17)	0.0416 (12)	0.0897 (17)	−0.0129 (11)	0.0453 (14)	−0.0100 (11)
I410	0.201 (11)	0.226 (13)	0.064 (4)	0.154 (9)	0.033 (6)	0.030 (5)
I302	0.0684 (18)	0.065 (4)	0.136 (4)	0.003 (2)	−0.010 (2)	−0.042 (3)
I304	0.184 (10)	0.111 (6)	0.100 (6)	0.040 (6)	0.011 (6)	0.008 (5)
I305	0.0805 (14)	0.0415 (16)	0.116 (2)	0.0070 (11)	0.0140 (13)	0.0118 (13)
I301	0.093 (2)	0.0360 (17)	0.108 (3)	0.0059 (14)	−0.0089 (19)	0.0051 (15)
Zn34	0.076 (6)	0.021 (3)	0.097 (7)	−0.010 (3)	−0.014 (4)	−0.003 (3)
Zn45	0.137 (15)	0.032 (8)	0.050 (15)	0.023 (7)	−0.054 (8)	−0.009 (7)
Zn32	0.087 (6)	0.043 (5)	0.073 (7)	0.002 (4)	0.013 (5)	−0.019 (4)
Zn46	0.122 (2)	0.0265 (10)	0.118 (2)	−0.0070 (11)	0.0390 (17)	−0.0167 (11)
Zn31	0.076 (6)	0.024 (4)	0.113 (6)	0.010 (3)	−0.031 (4)	−0.017 (4)
Zn33	0.070 (2)	0.041 (3)	0.082 (3)	−0.0059 (19)	0.031 (2)	0.000 (2)
N321	0.061 (7)	0.028 (5)	0.065 (7)	0.011 (5)	0.000 (5)	0.004 (5)
N302	0.067 (7)	0.022 (5)	0.072 (7)	0.012 (5)	−0.016 (6)	0.004 (5)
N303	0.070 (8)	0.044 (7)	0.061 (7)	0.002 (6)	−0.013 (6)	−0.004 (6)
N320	0.067 (7)	0.031 (6)	0.069 (7)	−0.003 (5)	−0.019 (6)	−0.012 (5)
N316	0.081 (8)	0.039 (6)	0.070 (8)	−0.002 (6)	0.014 (6)	0.002 (6)
N317	0.061 (7)	0.058 (8)	0.070 (8)	0.004 (6)	−0.022 (6)	−0.002 (6)
N322	0.074 (7)	0.032 (6)	0.055 (6)	0.001 (5)	0.001 (5)	−0.004 (5)
N324	0.092 (10)	0.037 (7)	0.086 (9)	0.004 (6)	0.007 (8)	−0.004 (6)
N305	0.097 (10)	0.037 (7)	0.079 (9)	0.003 (6)	0.014 (7)	0.004 (6)
N310	0.084 (9)	0.029 (6)	0.084 (9)	0.005 (6)	−0.015 (7)	−0.006 (6)
N301	0.083 (9)	0.061 (8)	0.063 (8)	0.016 (7)	−0.011 (7)	0.012 (6)
N304	0.073 (8)	0.056 (8)	0.074 (8)	0.004 (7)	−0.012 (7)	−0.018 (7)
C361	0.055 (7)	0.024 (6)	0.055 (7)	0.002 (5)	−0.001 (6)	−0.014 (5)
N319	0.104 (10)	0.031 (6)	0.071 (8)	0.014 (6)	−0.029 (7)	−0.012 (6)
N323	0.075 (8)	0.017 (5)	0.095 (9)	0.006 (5)	−0.027 (7)	−0.001 (5)
N309	0.082 (8)	0.031 (6)	0.079 (8)	0.003 (6)	−0.021 (7)	−0.012 (6)
N315	0.073 (8)	0.052 (7)	0.069 (8)	−0.011 (6)	0.018 (6)	−0.003 (6)
N318	0.088 (9)	0.045 (7)	0.069 (8)	−0.001 (6)	−0.001 (7)	0.007 (6)
N312	0.104 (11)	0.049 (8)	0.089 (10)	0.001 (8)	0.021 (9)	0.011 (7)
N306	0.064 (9)	0.075 (11)	0.120 (14)	0.018 (8)	−0.008 (9)	0.008 (10)
N308	0.079 (8)	0.042 (7)	0.075 (8)	0.008 (6)	−0.007 (7)	−0.002 (6)
N307	0.084 (9)	0.033 (7)	0.115 (11)	0.011 (6)	−0.023 (8)	−0.016 (7)
N314	0.108 (11)	0.045 (7)	0.078 (9)	−0.015 (7)	0.016 (8)	−0.004 (6)
N311	0.102 (10)	0.043 (7)	0.082 (9)	0.002 (7)	−0.020 (8)	−0.013 (6)
C357	0.075 (9)	0.034 (7)	0.065 (8)	0.003 (6)	−0.017 (7)	−0.007 (6)
C308	0.062 (9)	0.033 (7)	0.082 (10)	−0.007 (6)	−0.023 (8)	−0.011 (7)
C303	0.065 (8)	0.039 (7)	0.057 (8)	0.002 (6)	−0.020 (7)	−0.005 (6)
C343	0.059 (8)	0.047 (8)	0.062 (8)	−0.012 (6)	0.003 (7)	−0.015 (7)
O2A	0.139 (15)	0.055 (9)	0.069 (10)	−0.042 (10)	0.029 (10)	−0.017 (8)
C352	0.087 (11)	0.037 (8)	0.069 (9)	−0.011 (7)	0.012 (8)	−0.005 (7)
C301	0.062 (9)	0.051 (9)	0.098 (13)	−0.002 (7)	−0.017 (9)	0.017 (9)
C360	0.056 (7)	0.035 (7)	0.058 (8)	−0.002 (6)	0.000 (6)	0.000 (6)
C370	0.061 (8)	0.029 (6)	0.060 (8)	−0.005 (5)	−0.001 (6)	−0.012 (6)
C316	0.075 (10)	0.029 (7)	0.081 (10)	0.006 (6)	−0.017 (8)	0.004 (7)
C363	0.051 (7)	0.032 (7)	0.068 (8)	0.002 (5)	−0.008 (6)	−0.005 (6)
C309	0.086 (11)	0.028 (7)	0.077 (10)	0.006 (7)	0.005 (8)	0.002 (6)
C372	0.086 (11)	0.040 (8)	0.060 (8)	0.001 (7)	−0.001 (7)	−0.011 (6)
C344	0.072 (10)	0.055 (9)	0.069 (9)	−0.011 (7)	0.019 (8)	−0.012 (7)
C306	0.072 (9)	0.036 (7)	0.055 (8)	0.007 (6)	−0.019 (7)	−0.012 (6)
C302	0.076 (10)	0.044 (8)	0.068 (9)	0.002 (7)	−0.003 (7)	0.011 (7)
C362	0.072 (9)	0.027 (6)	0.065 (8)	0.001 (6)	−0.004 (7)	−0.003 (6)
C325	0.088 (11)	0.039 (8)	0.074 (10)	−0.005 (7)	−0.002 (8)	−0.015 (7)
C355	0.101 (12)	0.031 (7)	0.076 (10)	0.011 (7)	−0.013 (9)	−0.005 (7)
C345	0.072 (9)	0.037 (7)	0.055 (8)	0.002 (6)	−0.002 (7)	−0.002 (6)
O3A	0.098 (12)	0.052 (9)	0.114 (13)	0.033 (8)	0.041 (10)	0.024 (9)
C348	0.062 (9)	0.044 (8)	0.075 (10)	0.004 (6)	−0.004 (7)	0.007 (7)
C334	0.078 (10)	0.044 (8)	0.068 (9)	0.001 (7)	−0.001 (8)	−0.008 (7)
C367	0.083 (10)	0.021 (6)	0.094 (11)	−0.007 (6)	−0.017 (9)	0.001 (7)
C358	0.095 (12)	0.027 (7)	0.091 (11)	−0.002 (7)	−0.052 (9)	0.010 (7)
C371	0.059 (9)	0.049 (9)	0.090 (11)	−0.001 (7)	−0.012 (8)	0.004 (8)
C349	0.083 (11)	0.044 (8)	0.076 (10)	−0.005 (7)	0.001 (8)	−0.014 (7)
C315	0.100 (13)	0.046 (9)	0.078 (11)	0.019 (9)	−0.014 (10)	−0.003 (8)
O1A	0.065 (10)	0.087 (12)	0.119 (14)	−0.013 (9)	0.000 (9)	−0.051 (11)
C356	0.085 (10)	0.036 (7)	0.062 (8)	0.004 (7)	−0.017 (7)	−0.009 (6)
C324	0.083 (11)	0.042 (8)	0.079 (10)	−0.002 (7)	−0.012 (8)	−0.018 (7)
C365	0.087 (11)	0.025 (7)	0.112 (13)	−0.011 (7)	−0.030 (10)	0.014 (8)
N313	0.143 (17)	0.070 (11)	0.120 (14)	−0.004 (11)	0.078 (13)	−0.006 (10)
C339	0.084 (12)	0.087 (13)	0.063 (9)	−0.010 (10)	0.023 (8)	−0.001 (9)
C368	0.100 (12)	0.036 (8)	0.070 (9)	−0.010 (8)	−0.009 (9)	−0.015 (7)
C307	0.071 (9)	0.059 (9)	0.053 (8)	0.004 (7)	−0.017 (7)	−0.001 (7)
C314	0.085 (11)	0.055 (10)	0.078 (11)	0.009 (8)	−0.015 (9)	−0.008 (8)
C304	0.112 (15)	0.068 (11)	0.072 (11)	0.035 (10)	0.008 (10)	0.020 (9)
C366	0.110 (13)	0.020 (6)	0.087 (11)	−0.001 (7)	−0.043 (10)	0.005 (7)
C346	0.099 (13)	0.057 (10)	0.078 (11)	−0.015 (9)	0.019 (9)	−0.021 (8)
C320	0.074 (10)	0.041 (8)	0.101 (13)	−0.005 (7)	−0.010 (9)	0.008 (8)
C326	0.085 (11)	0.034 (7)	0.074 (10)	0.005 (7)	−0.004 (8)	0.001 (7)
C328	0.105 (12)	0.042 (8)	0.094 (11)	−0.009 (8)	−0.028 (10)	−0.015 (8)
C7A	0.087 (13)	0.024 (9)	0.073 (11)	0.000 (8)	0.025 (10)	−0.001 (8)
C330	0.126 (14)	0.023 (7)	0.125 (14)	0.002 (8)	−0.056 (11)	−0.016 (8)
C353	0.080 (12)	0.091 (14)	0.112 (15)	−0.021 (10)	0.015 (11)	−0.044 (12)
C336	0.080 (11)	0.051 (10)	0.115 (15)	−0.006 (8)	0.014 (11)	−0.032 (10)
C321	0.075 (10)	0.036 (7)	0.082 (10)	0.003 (7)	−0.015 (8)	−0.018 (7)
C327	0.103 (12)	0.033 (7)	0.080 (10)	0.006 (7)	−0.023 (9)	−0.006 (7)
C364	0.068 (9)	0.034 (8)	0.113 (13)	−0.001 (7)	−0.034 (9)	0.009 (8)
C310	0.121 (16)	0.076 (13)	0.095 (13)	0.041 (12)	0.035 (12)	0.040 (11)
C311	0.118 (16)	0.078 (13)	0.112 (16)	0.043 (12)	0.025 (13)	0.057 (12)
C332	0.142 (18)	0.045 (9)	0.078 (11)	0.022 (10)	−0.002 (11)	−0.004 (8)
C342	0.102 (13)	0.055 (10)	0.073 (10)	−0.013 (9)	0.012 (9)	0.001 (8)
C305	0.120 (16)	0.062 (11)	0.085 (12)	0.028 (11)	0.023 (11)	0.022 (9)
C369	0.104 (13)	0.037 (8)	0.072 (10)	0.001 (8)	−0.009 (9)	−0.005 (7)
C333	0.127 (16)	0.027 (8)	0.113 (15)	0.008 (9)	−0.012 (12)	0.013 (8)
C313	0.084 (12)	0.094 (14)	0.073 (11)	0.031 (10)	0.002 (9)	0.014 (10)
C331	0.104 (13)	0.046 (9)	0.112 (13)	−0.007 (9)	−0.021 (11)	−0.001 (9)
C319	0.074 (10)	0.052 (9)	0.102 (13)	−0.003 (8)	−0.025 (9)	−0.017 (9)
C359	0.104 (14)	0.041 (9)	0.108 (14)	0.015 (9)	−0.035 (11)	0.007 (9)
C318	0.111 (17)	0.074 (14)	0.15 (2)	0.029 (12)	0.017 (16)	0.062 (14)
C335	0.111 (14)	0.040 (8)	0.087 (12)	0.002 (9)	−0.012 (10)	−0.007 (8)
C4A	0.081 (12)	0.007 (7)	0.103 (14)	−0.005 (7)	0.009 (11)	−0.008 (8)
C337	0.136 (19)	0.100 (16)	0.091 (14)	−0.034 (15)	0.058 (14)	−0.030 (12)
C8A	0.137 (17)	0.032 (10)	0.069 (12)	−0.022 (11)	0.050 (12)	−0.011 (9)
C329	0.101 (12)	0.052 (9)	0.098 (12)	−0.004 (9)	−0.019 (10)	−0.007 (9)
C322	0.123 (15)	0.032 (8)	0.124 (15)	−0.020 (9)	−0.079 (13)	−0.006 (9)
C347	0.100 (14)	0.065 (11)	0.104 (14)	−0.023 (10)	0.027 (12)	−0.036 (10)
C312	0.112 (16)	0.082 (13)	0.074 (11)	0.005 (12)	−0.002 (11)	0.014 (10)
C323	0.143 (19)	0.042 (10)	0.147 (19)	−0.001 (11)	−0.085 (16)	−0.002 (11)
C3A	0.060 (11)	0.025 (9)	0.099 (14)	−0.003 (8)	−0.014 (10)	0.005 (9)
C5A	0.088 (14)	0.033 (10)	0.117 (16)	0.011 (10)	0.002 (13)	−0.012 (11)
C1A	0.049 (10)	0.043 (11)	0.118 (17)	0.001 (9)	−0.017 (11)	0.031 (12)
C12A	0.111 (15)	0.028 (9)	0.098 (14)	0.016 (10)	0.057 (12)	0.005 (9)
C338	0.134 (18)	0.073 (13)	0.112 (16)	−0.028 (12)	0.066 (14)	−0.025 (11)
C341	0.18 (3)	0.13 (2)	0.20 (3)	−0.06 (2)	0.14 (3)	−0.05 (2)
C317	0.127 (18)	0.075 (14)	0.126 (18)	0.032 (13)	0.034 (14)	0.045 (13)
C354	0.105 (15)	0.068 (12)	0.121 (16)	−0.017 (11)	0.032 (13)	−0.046 (12)
C11A	0.15 (2)	0.044 (12)	0.101 (16)	0.022 (13)	0.068 (15)	0.008 (12)
C10A	0.18 (2)	0.038 (11)	0.084 (15)	0.024 (13)	0.073 (16)	0.001 (11)
C2A	0.054 (11)	0.043 (11)	0.101 (15)	0.000 (9)	−0.004 (10)	0.024 (11)
C6A	0.061 (12)	0.036 (11)	0.16 (2)	−0.001 (9)	−0.005 (14)	−0.020 (13)
C340	0.13 (2)	0.14 (2)	0.096 (15)	−0.071 (17)	0.046 (14)	−0.026 (15)
C9A	0.17 (2)	0.061 (14)	0.065 (13)	−0.012 (15)	0.052 (15)	−0.009 (11)
C14A	0.12 (2)	0.10 (2)	0.10 (2)	−0.051 (18)	0.063 (18)	−0.027 (16)
C13A	0.13 (2)	0.030 (11)	0.125 (19)	0.023 (12)	0.005 (17)	−0.039 (12)
C450	0.097 (14)	0.068 (12)	0.086 (13)	−0.021 (9)	0.016 (10)	−0.029 (9)
C451	0.097 (14)	0.068 (12)	0.086 (13)	−0.021 (9)	0.016 (10)	−0.029 (9)
C15A	0.08 (2)	0.10 (2)	0.27 (4)	0.029 (18)	0.04 (3)	0.08 (3)
I403	0.182 (7)	0.026 (2)	0.111 (7)	0.015 (3)	−0.058 (4)	0.002 (2)
Zn42	0.118 (9)	0.051 (6)	0.063 (6)	0.018 (5)	−0.054 (5)	−0.006 (4)
I404	0.094 (4)	0.177 (10)	0.093 (5)	0.026 (5)	0.032 (4)	−0.019 (5)
I309	0.113 (4)	0.042 (3)	0.071 (3)	0.009 (3)	−0.040 (3)	−0.001 (2)
Zn35	0.069 (7)	0.060 (10)	0.049 (11)	0.020 (6)	−0.011 (6)	−0.012 (6)
I310	0.078 (3)	0.119 (4)	0.100 (5)	0.054 (3)	0.016 (3)	0.029 (3)
I406	0.347 (13)	0.064 (3)	0.211 (8)	−0.094 (6)	0.199 (8)	−0.073 (4)
Zn43	0.237 (16)	0.023 (4)	0.212 (14)	0.009 (7)	0.134 (12)	0.011 (6)
I405	0.284 (12)	0.081 (5)	0.331 (14)	0.096 (6)	0.163 (10)	0.083 (7)
I408	0.046 (2)	0.075 (4)	0.114 (5)	0.0031 (17)	−0.015 (2)	0.044 (4)
Zn44	0.057 (5)	0.034 (4)	0.083 (5)	0.009 (3)	−0.029 (3)	0.001 (3)
I407	0.118 (5)	0.070 (4)	0.149 (7)	0.050 (4)	−0.063 (5)	−0.060 (4)
I401	0.145 (4)	0.051 (3)	0.206 (7)	0.009 (2)	−0.013 (5)	0.032 (3)
Zn41	0.079 (6)	0.054 (6)	0.112 (6)	−0.011 (4)	−0.030 (5)	0.007 (4)
I402	0.158 (6)	0.064 (3)	0.125 (4)	0.001 (3)	−0.042 (4)	−0.041 (3)
I312	0.229 (11)	0.035 (2)	0.342 (13)	0.042 (3)	0.122 (10)	0.021 (4)
Zn36	0.122 (2)	0.0265 (10)	0.118 (2)	−0.0070 (11)	0.0390 (17)	−0.0167 (11)
I311	0.118 (4)	0.055 (3)	0.089 (3)	−0.0365 (19)	0.030 (3)	−0.0429 (19)
I509	0.26 (3)	0.014 (5)	0.23 (2)	0.009 (9)	−0.17 (2)	−0.014 (6)
Zn55	0.17 (3)	0.041 (9)	0.071 (17)	0.025 (12)	−0.093 (15)	−0.030 (10)
I510	0.42 (4)	0.19 (2)	0.132 (15)	0.14 (2)	−0.20 (2)	−0.057 (13)
C350	0.097 (14)	0.068 (12)	0.086 (13)	−0.021 (9)	0.016 (10)	−0.029 (9)
C351	0.097 (14)	0.068 (12)	0.086 (13)	−0.021 (9)	0.016 (10)	−0.029 (9)
C801	0.26 (5)	0.09 (3)	0.09 (3)	−0.11 (3)	0.11 (3)	−0.04 (2)
C806	0.27 (5)	0.12 (3)	0.11 (3)	−0.11 (3)	0.11 (3)	−0.07 (2)
C805	0.29 (5)	0.12 (3)	0.10 (3)	−0.10 (4)	0.12 (3)	−0.06 (2)
C804	0.29 (5)	0.11 (3)	0.10 (3)	−0.10 (3)	0.12 (3)	−0.05 (2)
C803	0.28 (5)	0.10 (3)	0.10 (3)	−0.09 (3)	0.12 (3)	−0.05 (2)
C802	0.27 (5)	0.09 (3)	0.09 (3)	−0.09 (3)	0.11 (3)	−0.05 (2)
C811	0.06 (4)	0.23 (7)	0.07 (3)	−0.02 (4)	0.02 (3)	−0.04 (3)
C810	0.09 (4)	0.23 (7)	0.07 (3)	−0.03 (4)	0.03 (3)	−0.05 (3)
C809	0.09 (4)	0.22 (7)	0.06 (3)	−0.03 (4)	0.03 (3)	−0.05 (3)
C808	0.08 (4)	0.23 (7)	0.07 (3)	−0.04 (4)	0.04 (3)	−0.05 (3)
C807	0.07 (4)	0.22 (7)	0.06 (3)	−0.03 (4)	0.03 (3)	−0.05 (3)
C812	0.08 (4)	0.23 (7)	0.07 (3)	−0.02 (4)	0.02 (3)	−0.05 (3)
C4B	0.09 (2)	0.10 (2)	0.08 (2)	0.00 (2)	0.012 (18)	0.033 (19)
C3B	0.07 (3)	0.10 (2)	0.06 (3)	0.00 (2)	0.00 (2)	0.03 (2)
C2B	0.08 (3)	0.10 (2)	0.05 (3)	0.00 (3)	0.00 (2)	0.03 (2)
C1B	0.08 (3)	0.11 (3)	0.06 (3)	0.00 (3)	0.01 (2)	0.03 (2)
C6B	0.08 (3)	0.12 (3)	0.06 (3)	0.00 (3)	0.01 (2)	0.03 (2)
C5B	0.08 (3)	0.12 (3)	0.08 (2)	0.00 (2)	0.013 (19)	0.03 (2)
C7B	0.12 (3)	0.10 (2)	0.08 (2)	0.01 (2)	0.031 (19)	0.038 (19)
C12B	0.13 (3)	0.10 (3)	0.08 (2)	0.00 (2)	0.04 (2)	0.04 (2)
C11B	0.13 (3)	0.11 (3)	0.07 (3)	0.01 (3)	0.04 (2)	0.04 (2)
C10B	0.14 (4)	0.11 (3)	0.07 (3)	0.02 (3)	0.04 (3)	0.02 (2)
C9B	0.14 (3)	0.11 (3)	0.08 (3)	0.02 (2)	0.03 (3)	0.02 (2)
C8B	0.13 (3)	0.11 (3)	0.08 (3)	0.02 (2)	0.02 (2)	0.02 (2)
O3B	0.13 (3)	0.10 (3)	0.09 (3)	0.00 (3)	0.02 (2)	0.03 (3)
O2B	0.15 (3)	0.12 (4)	0.10 (3)	0.02 (3)	0.01 (3)	0.01 (3)
C816	0.19 (6)	0.13 (4)	0.32 (8)	0.04 (4)	0.20 (6)	0.09 (5)
C815	0.19 (6)	0.12 (4)	0.31 (8)	0.05 (4)	0.21 (6)	0.08 (5)
C814	0.20 (6)	0.12 (4)	0.30 (8)	0.04 (4)	0.20 (6)	0.08 (5)
C813	0.21 (6)	0.12 (4)	0.30 (8)	0.05 (4)	0.18 (6)	0.08 (5)
C818	0.21 (6)	0.14 (4)	0.30 (8)	0.05 (4)	0.18 (6)	0.08 (5)
C817	0.20 (6)	0.13 (4)	0.31 (8)	0.05 (4)	0.18 (6)	0.08 (5)
C14B	0.15 (5)	0.12 (7)	0.13 (6)	0.02 (5)	0.00 (4)	0.01 (5)
C15B	0.16 (5)	0.16 (7)	0.09 (4)	−0.02 (5)	0.01 (4)	0.02 (4)
C13B	0.11 (3)	0.12 (3)	0.10 (3)	0.00 (3)	0.03 (3)	0.03 (3)
O1B	0.13 (4)	0.16 (6)	0.12 (4)	0.02 (4)	0.04 (3)	0.07 (4)

Geometric parameters (Å, º)

I308—Zn34	2.531 (11)	C327—C331	1.36 (2)
I303—Zn32	2.539 (9)	C364—H364	0.9500
I307—Zn34	2.549 (11)	C310—H310	0.9500
I409—Zn45	2.555 (15)	C310—C311	1.40 (3)
I411—Zn46	2.514 (12)	C311—H311	0.9500
I412—Zn46	2.515 (11)	C332—H332	0.9500
I306—Zn33	2.520 (8)	C332—C333	1.36 (2)
I410—Zn45	2.544 (16)	C305—H305	0.9500
I302—Zn31	2.504 (11)	C369—H369	0.9500
I304—Zn32	2.509 (10)	C333—H333	0.9500
I305—Zn33	2.524 (7)	C313—H313	0.9500
I301—Zn31	2.577 (10)	C313—C312	1.36 (3)
Zn34—N317	2.097 (16)	C331—H331	0.9500
Zn34—N323^i	2.047 (19)	C319—H319	0.9500
Zn45—N319	1.995 (16)	C359—H359	0.9500
Zn45—N318	2.097 (18)	C318—H318	0.9500
Zn32—N301^ii	2.102 (17)	C318—C317	1.41 (3)
Zn32—N311	2.043 (16)	C335—H335	0.9500
Zn46—N324	2.096 (17)	C4A—C3A	1.395 (14)
Zn46—N305^iii	2.05 (3)	C4A—C5A	1.406 (14)
Zn31—N306	2.056 (17)	C337—H337	0.9500
Zn31—N307	2.077 (16)	C337—C338	1.39 (3)
Zn33—N312	2.100 (16)	C8A—C9A	1.386 (16)
Zn33—N313	2.092 (18)	C329—H329	0.9500
N321—C361	1.310 (16)	C322—H322	0.9500
N321—C360	1.362 (17)	C322—C323	1.37 (2)
N302—C308	1.35 (2)	C347—H347	0.9500
N302—C306	1.359 (17)	C312—H312	0.9500
N303—C306	1.31 (2)	C323—H323	0.9500
N303—C307	1.33 (2)	C3A—H3A	0.9500
N320—C360	1.303 (17)	C3A—C2A	1.394 (14)
N320—C362	1.348 (17)	C5A—C6A	1.403 (14)
N316—C343	1.324 (18)	C5A—C13A	1.514 (18)
N316—C344	1.368 (19)	C1A—H1AA	0.9500
N317—C348	1.37 (2)	C1A—C2A	1.393 (15)
N317—C347	1.30 (2)	C1A—C6A	1.383 (15)
N317—Zn44	2.089 (16)	C12A—C11A	1.380 (15)
N322—C361	1.320 (16)	C338—H338	0.9500
N322—C362	1.335 (17)	C341—H341	0.9500
N324—C372	1.313 (19)	C341—C340	1.39 (3)
N324—C368	1.31 (2)	C317—H317	0.9500
N324—Zn36	2.096 (16)	C354—H354	0.9500
N305—C311	1.29 (2)	C11A—H11A	0.9500
N305—C312	1.33 (2)	C11A—C10A	1.381 (16)
N310—C325	1.287 (19)	C10A—H10A	0.9500
N310—C326	1.308 (19)	C10A—C9A	1.369 (16)
N301—C301	1.34 (2)	C2A—H2A	0.9500
N301—C305	1.30 (2)	C6A—H6A	0.9500
N301—Zn42^iv	2.016 (18)	C340—H340	0.9500
N304—C308	1.33 (2)	C9A—H9A	0.9500
N304—C307	1.31 (2)	C14A—H14A	0.9800
C361—C363	1.517 (17)	C14A—H14B	0.9800
N319—C355	1.32 (2)	C14A—H14C	0.9800
N319—C359	1.36 (2)	C13A—H13A	0.9900
N319—Zn35	1.999 (16)	C13A—H13B	0.9900
N319—Zn55	2.32 (3)	C450—H450	0.9500
N323—C365	1.343 (19)	C450—C451	1.42 (3)
N323—C366	1.340 (18)	C451—H451	0.9500
N323—Zn44^v	2.093 (18)	C15A—H15A	0.9800
N323—Zn54	1.90 (6)	C15A—H15B	0.9800
N309—C325	1.324 (19)	C15A—H15C	0.9800
N309—C324	1.34 (2)	I403—Zn42	2.562 (10)
N315—C343	1.327 (19)	Zn42—I404	2.509 (11)
N315—C342	1.32 (2)	I309—Zn35	2.548 (12)
N318—C354	1.29 (2)	Zn35—I310	2.541 (11)
N318—C450	1.36 (3)	I406—Zn43	2.524 (12)
N318—Zn35	2.090 (17)	Zn43—I405	2.540 (14)
N318—Zn55	1.85 (4)	I408—Zn44	2.524 (11)
N318—C350	1.36 (3)	Zn44—I407	2.544 (11)
N312—C336	1.26 (2)	I401—Zn41	2.571 (11)
N312—C332	1.32 (2)	Zn41—I402	2.504 (11)
N312—Zn43	2.093 (16)	I312—Zn36	2.515 (11)
N312—Zn53	2.38 (11)	Zn36—I311	2.514 (11)
N306—C314	1.31 (2)	I509—Zn55	2.37 (5)
N306—C318	1.27 (3)	Zn55—I510	2.52 (7)
N306—Zn41	2.041 (18)	I506—Zn53	2.27 (9)
N306—Zn51	2.04 (2)	I505—Zn53	2.80 (12)
N308—C324	1.35 (2)	I507—Zn54	2.50 (7)
N308—C326	1.355 (19)	I508—Zn54	2.48 (7)
N307—C319	1.33 (2)	I503—Zn52	2.553 (18)
N307—C323	1.30 (2)	Zn52—I504	2.511 (18)
N307—Zn41	2.059 (16)	I501—Zn51	2.567 (19)
N307—Zn51	2.06 (2)	I502—Zn51	2.493 (18)
N314—C344	1.30 (2)	C350—H350	0.9500
N314—C342	1.36 (2)	C350—C351	1.41 (3)
N311—C330	1.36 (2)	C351—H351	0.9500
N311—C329	1.35 (2)	C801—H80A	0.9900
N311—Zn42	2.065 (16)	C801—H80B	0.9900
N311—Zn52	2.28 (6)	C801—C806	1.540 (13)
C357—C360	1.450 (18)	C801—C802	1.539 (13)
C357—C358	1.39 (2)	C806—H80C	0.9900
C357—C356	1.37 (2)	C806—H80D	0.9900
C308—C316	1.49 (2)	C806—C805	1.536 (13)
C303—C306	1.51 (2)	C805—H80E	0.9900
C303—C302	1.36 (2)	C805—H80F	0.9900
C303—C304	1.36 (2)	C805—C804	1.533 (13)
C343—C345	1.499 (19)	C804—H80G	0.9900
O2A—C8A	1.38 (3)	C804—H80H	0.9900
O2A—C14A	1.425 (17)	C804—C803	1.533 (13)
C352—C344	1.45 (2)	C803—H80I	0.9900
C352—C353	1.32 (3)	C803—H80J	0.9900
C352—C451	1.45 (3)	C803—C802	1.538 (13)
C352—C351	1.45 (3)	C802—H80K	0.9900
C301—H301	0.9500	C802—H80L	0.9900
C301—C302	1.42 (2)	C811—H81A	0.9900
C370—C362	1.485 (18)	C811—H81B	0.9900
C370—C371	1.39 (2)	C811—C810	1.538 (14)
C370—C369	1.37 (2)	C811—C812	1.541 (14)
C316—C315	1.37 (3)	C810—H81C	0.9900
C316—C317	1.39 (2)	C810—H81D	0.9900
C363—C367	1.372 (19)	C810—C809	1.538 (14)
C363—C364	1.32 (2)	C809—H80M	0.9900
C309—C307	1.50 (2)	C809—H80N	0.9900
C309—C310	1.32 (2)	C809—C808	1.539 (14)
C309—C313	1.39 (2)	C808—H80O	0.9900
C372—H372	0.9500	C808—H80P	0.9900
C372—C371	1.36 (2)	C808—C807	1.540 (14)
C302—H302	0.9500	C807—H80Q	0.9900
C325—C327	1.54 (2)	C807—H80R	0.9900
C355—H355	0.9500	C807—C812	1.539 (14)
C355—C356	1.37 (2)	C812—H81E	0.9900
C345—C349	1.37 (2)	C812—H81F	0.9900
C345—C346	1.40 (2)	C4B—C3B	1.3900
O3A—C12A	1.359 (16)	C4B—C5B	1.3900
O3A—C15A	1.403 (18)	C4B—C7B	1.49 (2)
C348—H348	0.9500	C3B—H3B	0.9500
C348—C349	1.36 (2)	C3B—C2B	1.3900
C334—C326	1.48 (2)	C2B—H2B	0.9500
C334—C333	1.34 (2)	C2B—C1B	1.3900
C334—C335	1.37 (2)	C1B—H1B	0.9500
C367—H367	0.9500	C1B—C6B	1.3900
C367—C366	1.41 (2)	C6B—H6B	0.9500
C358—H358	0.9500	C6B—C5B	1.3900
C358—C359	1.37 (2)	C5B—C13B	1.51 (2)
C371—H371	0.9500	C7B—C12B	1.3900
C349—H349	0.9500	C7B—C8B	1.3900
C315—H315	0.9500	C12B—C11B	1.3900
C315—C314	1.43 (2)	C12B—O3B	1.37 (2)
O1A—H1A	0.8400	C11B—H11B	0.9500
O1A—C13A	1.421 (16)	C11B—C10B	1.3900
C356—H356	0.9500	C10B—H10B	0.9500
C324—C321	1.50 (2)	C10B—C9B	1.3900
C365—H365	0.9500	C9B—H9B	0.9500
C365—C364	1.39 (2)	C9B—C8B	1.3900
N313—C337	1.33 (3)	C8B—O2B	1.38 (2)
N313—C341	1.26 (3)	O3B—C15B	1.43 (2)
N313—Zn43	2.066 (19)	O2B—C14B	1.43 (2)
N313—Zn53	2.07 (2)	C816—H81G	0.9900
C339—C342	1.51 (2)	C816—H81H	0.9900
C339—C338	1.36 (3)	C816—C815	1.533 (13)
C339—C340	1.35 (3)	C816—C817	1.535 (14)
C368—H368	0.9500	C815—H81I	0.9900
C368—C369	1.37 (2)	C815—H81J	0.9900
C314—H314	0.9500	C815—C814	1.532 (13)
C304—H304	0.9500	C814—H81K	0.9900
C304—C305	1.42 (2)	C814—H81L	0.9900
C366—H366	0.9500	C814—C813	1.532 (14)
C346—H346	0.9500	C813—H81M	0.9900
C346—C347	1.37 (2)	C813—H81N	0.9900
C320—H320	0.9500	C813—C818	1.533 (13)
C320—C321	1.37 (2)	C818—H81O	0.9900
C320—C319	1.41 (2)	C818—H81P	0.9900
C328—H328	0.9500	C818—C817	1.534 (13)
C328—C327	1.34 (2)	C817—H81Q	0.9900
C328—C329	1.37 (2)	C817—H81R	0.9900
C7A—C4A	1.516 (14)	C14B—H14D	0.9800
C7A—C8A	1.382 (15)	C14B—H14E	0.9800
C7A—C12A	1.386 (15)	C14B—H14F	0.9800
C330—H330	0.9500	C15B—H15D	0.9800
C330—C331	1.42 (2)	C15B—H15E	0.9800
C353—H353	0.9500	C15B—H15F	0.9800
C353—C354	1.40 (3)	C13B—H13C	0.9900
C336—H336	0.9500	C13B—H13D	0.9900
C336—C335	1.45 (2)	C13B—O1B	1.43 (2)
C321—C322	1.37 (2)	O1B—H1BA	0.8400
I308—Zn34—I307	125.7 (6)	O2A—C8A—C7A	115.1 (13)
N317—Zn34—I308	107.3 (7)	O2A—C8A—C9A	124.9 (15)
N317—Zn34—I307	108.9 (7)	C7A—C8A—C9A	120.0 (14)
N323^i—Zn34—I308	100.4 (7)	N311—C329—C328	123.5 (17)
N323^i—Zn34—I307	111.0 (7)	N311—C329—H329	118.2
N323^i—Zn34—N317	100.5 (7)	C328—C329—H329	118.2
I410—Zn45—I409	126.5 (8)	C321—C322—H322	122.6
N319—Zn45—I409	110.0 (8)	C321—C322—C323	114.8 (16)
N319—Zn45—I410	105.5 (9)	C323—C322—H322	122.6
N319—Zn45—N318	103.7 (8)	N317—C347—C346	123.7 (17)
N318—Zn45—I409	104.0 (8)	N317—C347—H347	118.2
N318—Zn45—I410	105.0 (7)	C346—C347—H347	118.2
I304—Zn32—I303	127.0 (5)	N305—C312—C313	125.3 (18)
N301^ii—Zn32—I303	106.0 (6)	N305—C312—H312	117.4
N301^ii—Zn32—I304	103.8 (7)	C313—C312—H312	117.4
N311—Zn32—I303	110.0 (6)	N307—C323—C322	128.1 (17)
N311—Zn32—I304	105.6 (6)	N307—C323—H323	116.0
N311—Zn32—N301^ii	101.4 (7)	C322—C323—H323	116.0
I411—Zn46—I412	123.5 (8)	C4A—C3A—H3A	120.1
N324—Zn46—I411	107.2 (7)	C2A—C3A—C4A	119.7 (11)
N324—Zn46—I412	109.5 (7)	C2A—C3A—H3A	120.1
N305^iii—Zn46—I411	105.2 (8)	C4A—C5A—C13A	119.2 (13)
N305^iii—Zn46—I412	107.3 (8)	C6A—C5A—C4A	118.9 (11)
N305^iii—Zn46—N324	102.0 (9)	C6A—C5A—C13A	121.7 (14)
I302—Zn31—I301	125.5 (4)	C2A—C1A—H1AA	119.5
N306—Zn31—I302	110.8 (8)	C6A—C1A—H1AA	119.5
N306—Zn31—I301	104.1 (7)	C6A—C1A—C2A	121.0 (12)
N306—Zn31—N307	97.4 (7)	O3A—C12A—C7A	118.5 (11)
N307—Zn31—I302	107.0 (7)	O3A—C12A—C11A	121.2 (12)
N307—Zn31—I301	108.5 (6)	C11A—C12A—C7A	120.3 (13)
I306—Zn33—I305	121.8 (3)	C339—C338—C337	117 (2)
N312—Zn33—I306	109.9 (5)	C339—C338—H338	121.6
N312—Zn33—I305	106.8 (6)	C337—C338—H338	121.6
N313—Zn33—I306	104.2 (6)	N313—C341—H341	119.3
N313—Zn33—I305	110.2 (7)	N313—C341—C340	121 (3)
N313—Zn33—N312	102.2 (7)	C340—C341—H341	119.3
C361—N321—C360	115.0 (11)	C316—C317—C318	116 (2)
C308—N302—C306	112.4 (14)	C316—C317—H317	122.0
C306—N303—C307	114.1 (13)	C318—C317—H317	122.0
C360—N320—C362	116.9 (11)	N318—C354—C353	121 (2)
C343—N316—C344	113.7 (13)	N318—C354—H354	119.6
C348—N317—Zn34	125.4 (13)	C353—C354—H354	119.6
C348—N317—Zn44	116.6 (12)	C12A—C11A—H11A	120.5
C347—N317—Zn34	114.5 (12)	C12A—C11A—C10A	119.0 (15)
C347—N317—C348	120.0 (15)	C10A—C11A—H11A	120.5
C347—N317—Zn44	123.3 (12)	C11A—C10A—H10A	119.3
C361—N322—C362	114.3 (11)	C9A—C10A—C11A	121.4 (14)
C372—N324—Zn46	121.0 (12)	C9A—C10A—H10A	119.3
C372—N324—Zn36	123.2 (12)	C3A—C2A—H2A	120.1
C368—N324—Zn46	121.3 (11)	C1A—C2A—C3A	119.7 (12)
C368—N324—C372	117.6 (13)	C1A—C2A—H2A	120.1
C368—N324—Zn36	119.1 (11)	C5A—C6A—H6A	120.0
C311—N305—Zn46^vi	120.7 (14)	C1A—C6A—C5A	120.0 (12)
C311—N305—C312	114.4 (18)	C1A—C6A—H6A	120.0
C312—N305—Zn46^vi	124.9 (13)	C339—C340—C341	120 (2)
C325—N310—C326	116.1 (14)	C339—C340—H340	120.0
C301—N301—Zn32^iv	117.4 (11)	C341—C340—H340	120.0
C301—N301—Zn42^iv	120.2 (11)	C8A—C9A—H9A	120.3
C305—N301—Zn32^iv	122.6 (14)	C10A—C9A—C8A	119.4 (15)
C305—N301—C301	119.8 (15)	C10A—C9A—H9A	120.3
C305—N301—Zn42^iv	119.8 (14)	O2A—C14A—H14A	109.5
C307—N304—C308	114.1 (15)	O2A—C14A—H14B	109.5
N321—C361—N322	126.6 (12)	O2A—C14A—H14C	109.5
N321—C361—C363	115.0 (11)	H14A—C14A—H14B	109.5
N322—C361—C363	118.4 (11)	H14A—C14A—H14C	109.5
C355—N319—Zn45	123.0 (12)	H14B—C14A—H14C	109.5
C355—N319—C359	114.2 (13)	O1A—C13A—C5A	113.4 (17)
C355—N319—Zn35	125.4 (11)	O1A—C13A—H13A	108.9
C355—N319—Zn55	129.1 (16)	O1A—C13A—H13B	108.9
C359—N319—Zn45	122.5 (12)	C5A—C13A—H13A	108.9
C359—N319—Zn35	119.9 (12)	C5A—C13A—H13B	108.9
C359—N319—Zn55	116.6 (17)	H13A—C13A—H13B	107.7
Zn34^v—N323—Zn44^v	8.9 (6)	N318—C450—H450	118.3
C365—N323—Zn34^v	117.1 (10)	N318—C450—C451	123 (3)
C365—N323—Zn44^v	122.0 (9)	C451—C450—H450	118.3
C365—N323—Zn54	114 (2)	C352—C451—H451	122.4
C366—N323—Zn34^v	124.3 (10)	C450—C451—C352	115 (3)
C366—N323—C365	118.6 (12)	C450—C451—H451	122.4
C366—N323—Zn44^v	118.9 (10)	O3A—C15A—H15A	109.5
C366—N323—Zn54	117 (2)	O3A—C15A—H15B	109.5
Zn54—N323—Zn44^v	25.6 (19)	O3A—C15A—H15C	109.5
C325—N309—C324	112.3 (13)	H15A—C15A—H15B	109.5
C342—N315—C343	113.9 (14)	H15A—C15A—H15C	109.5
C354—N318—Zn45	124.7 (14)	H15B—C15A—H15C	109.5
C354—N318—C450	107 (2)	N301^ii—Zn42—N311	103.7 (8)
C354—N318—Zn35	122.0 (14)	N301^ii—Zn42—I403	110.7 (7)
C354—N318—Zn55	119 (2)	N301^ii—Zn42—I404	110.5 (7)
C354—N318—C350	117.0 (17)	N311—Zn42—I403	101.0 (6)
C450—N318—Zn35	121.7 (16)	N311—Zn42—I404	106.3 (7)
C350—N318—Zn45	115.0 (14)	I404—Zn42—I403	122.5 (6)
C336—N312—Zn33	125.8 (13)	N319—Zn35—N318	103.8 (7)
C336—N312—C332	119.4 (16)	N319—Zn35—I309	108.0 (7)
C336—N312—Zn43	111.6 (13)	N319—Zn35—I310	105.2 (7)
C336—N312—Zn53	87 (2)	N318—Zn35—I309	106.6 (6)
C332—N312—Zn33	114.7 (13)	N318—Zn35—I310	105.1 (7)
C332—N312—Zn43	128.8 (13)	I310—Zn35—I309	126.1 (5)
C332—N312—Zn53	147.8 (15)	N312—Zn43—I406	115.2 (7)
C314—N306—Zn31	119.0 (15)	N312—Zn43—I405	101.4 (7)
C314—N306—Zn41	127.4 (16)	N313—Zn43—N312	103.4 (8)
C314—N306—Zn51	102.0 (18)	N313—Zn43—I406	114.8 (8)
C318—N306—Zn31	122.9 (15)	N313—Zn43—I405	98.8 (8)
C318—N306—C314	117.5 (17)	I406—Zn43—I405	120.6 (5)
C318—N306—Zn41	114.6 (15)	N317—Zn44—N323^i	99.3 (7)
C318—N306—Zn51	138.3 (17)	N317—Zn44—I408	111.8 (7)
C324—N308—C326	114.6 (13)	N317—Zn44—I407	104.6 (6)
C319—N307—Zn31	124.0 (11)	N323^i—Zn44—I408	109.6 (7)
C319—N307—Zn41	120.8 (11)	N323^i—Zn44—I407	104.5 (7)
C319—N307—Zn51	133.8 (13)	I408—Zn44—I407	124.1 (6)
C323—N307—Zn31	118.9 (13)	N306—Zn41—N307	98.5 (7)
C323—N307—C319	115.8 (15)	N306—Zn41—I401	106.7 (8)
C323—N307—Zn41	123.3 (12)	N306—Zn41—I402	104.4 (7)
C323—N307—Zn51	104.4 (17)	N307—Zn41—I401	107.3 (7)
C344—N314—C342	116.3 (15)	N307—Zn41—I402	105.4 (7)
C330—N311—Zn32	123.3 (12)	I402—Zn41—I401	130.3 (5)
C330—N311—Zn42	119.6 (12)	N324—Zn36—I312	104.3 (7)
C330—N311—Zn52	108.9 (15)	N324—Zn36—I311	111.2 (7)
C329—N311—Zn32	121.4 (12)	N305^iii—Zn36—N324	102.1 (9)
C329—N311—C330	115.1 (15)	N305^iii—Zn36—I312	110.7 (8)
C329—N311—Zn42	125.1 (12)	N305^iii—Zn36—I311	109.1 (7)
C329—N311—Zn52	128.9 (17)	I311—Zn36—I312	118.2 (7)
C358—C357—C360	120.2 (13)	N319—Zn55—I509	105.1 (16)
C356—C357—C360	122.8 (13)	N319—Zn55—I510	99 (2)
C356—C357—C358	116.8 (13)	N318—Zn55—N319	100 (2)
N302—C308—C316	116.3 (16)	N318—Zn55—I509	116 (3)
N304—C308—N302	126.1 (14)	N318—Zn55—I510	117 (2)
N304—C308—C316	117.5 (15)	I509—Zn55—I510	115 (2)
C302—C303—C306	118.5 (15)	N312—Zn53—I505	77 (3)
C302—C303—C304	120.7 (15)	N313—Zn53—N312	94 (3)
C304—C303—C306	120.7 (13)	N313—Zn53—I506	134 (5)
N316—C343—N315	127.2 (13)	N313—Zn53—I505	80 (3)
N316—C343—C345	115.8 (13)	I506—Zn53—N312	131 (3)
N315—C343—C345	117.0 (12)	I506—Zn53—I505	115 (4)
C8A—O2A—C14A	118 (2)	N323—Zn54—I507	97 (2)
C344—C352—C351	118.9 (17)	N323—Zn54—I508	137 (3)
C353—C352—C344	123.2 (15)	I508—Zn54—I507	119 (3)
C353—C352—C451	104 (2)	N311—Zn52—I503	91.5 (16)
C353—C352—C351	116.9 (17)	N311—Zn52—I504	125 (2)
C451—C352—C344	119.3 (18)	I504—Zn52—I503	130 (2)
N301—C301—H301	119.6	N306—Zn51—N307	98.3 (10)
N301—C301—C302	120.8 (16)	N306—Zn51—I501	101.3 (17)
C302—C301—H301	119.6	N306—Zn51—I502	114.0 (15)
N321—C360—C357	116.8 (11)	N307—Zn51—I501	88.5 (15)
N320—C360—N321	123.1 (12)	N307—Zn51—I502	141.6 (18)
N320—C360—C357	120.0 (12)	I502—Zn51—I501	104.0 (17)
C371—C370—C362	122.8 (12)	N318—C350—H350	118.5
C369—C370—C362	120.3 (13)	N318—C350—C351	123 (2)
C369—C370—C371	116.8 (13)	C351—C350—H350	118.5
C315—C316—C308	122.0 (15)	C352—C351—H351	122.3
C315—C316—C317	118.0 (16)	C350—C351—C352	115 (2)
C317—C316—C308	119.9 (18)	C350—C351—H351	122.3
C367—C363—C361	118.0 (12)	H80A—C801—H80B	108.3
C364—C363—C361	121.3 (12)	C806—C801—H80A	109.8
C364—C363—C367	120.6 (13)	C806—C801—H80B	109.8
C310—C309—C307	121.9 (16)	C802—C801—H80A	109.8
C310—C309—C313	119.3 (18)	C802—C801—H80B	109.8
C313—C309—C307	118.8 (14)	C802—C801—C806	109 (2)
N324—C372—H372	118.2	C801—C806—H80C	109.5
N324—C372—C371	123.5 (15)	C801—C806—H80D	109.5
C371—C372—H372	118.2	H80C—C806—H80D	108.1
N316—C344—C352	117.1 (14)	C805—C806—C801	110.9 (18)
N314—C344—N316	124.3 (14)	C805—C806—H80C	109.5
N314—C344—C352	118.5 (14)	C805—C806—H80D	109.5
N302—C306—C303	115.1 (15)	C806—C805—H80E	109.1
N303—C306—N302	126.5 (14)	C806—C805—H80F	109.1
N303—C306—C303	118.1 (13)	H80E—C805—H80F	107.9
C303—C302—C301	118.4 (17)	C804—C805—C806	112 (2)
C303—C302—H302	120.8	C804—C805—H80E	109.1
C301—C302—H302	120.8	C804—C805—H80F	109.1
N320—C362—C370	118.2 (12)	C805—C804—H80G	109.3
N322—C362—N320	123.3 (12)	C805—C804—H80H	109.3
N322—C362—C370	118.3 (12)	H80G—C804—H80H	107.9
N310—C325—N309	128.1 (15)	C803—C804—C805	111.7 (19)
N310—C325—C327	119.2 (13)	C803—C804—H80G	109.3
N309—C325—C327	112.6 (13)	C803—C804—H80H	109.3
N319—C355—H355	117.0	C804—C803—H80I	109.5
N319—C355—C356	125.9 (15)	C804—C803—H80J	109.5
C356—C355—H355	117.0	C804—C803—C802	110.8 (18)
C349—C345—C343	121.6 (13)	H80I—C803—H80J	108.1
C349—C345—C346	118.0 (14)	C802—C803—H80I	109.5
C346—C345—C343	120.4 (15)	C802—C803—H80J	109.5
C12A—O3A—C15A	118 (2)	C801—C802—H80K	109.6
N317—C348—H348	120.7	C801—C802—H80L	109.6
C349—C348—N317	118.7 (16)	C803—C802—C801	110.1 (19)
C349—C348—H348	120.7	C803—C802—H80K	109.6
C333—C334—C326	123.7 (14)	C803—C802—H80L	109.6
C333—C334—C335	116.7 (15)	H80K—C802—H80L	108.1
C335—C334—C326	119.6 (15)	H81A—C811—H81B	108.1
C363—C367—H367	121.2	C810—C811—H81A	109.6
C363—C367—C366	117.7 (12)	C810—C811—H81B	109.6
C366—C367—H367	121.2	C810—C811—C812	110 (2)
C357—C358—H358	120.3	C812—C811—H81A	109.6
C359—C358—C357	119.3 (14)	C812—C811—H81B	109.6
C359—C358—H358	120.3	C811—C810—H81C	109.3
C370—C371—H371	120.4	C811—C810—H81D	109.3
C372—C371—C370	119.2 (14)	H81C—C810—H81D	108.0
C372—C371—H371	120.4	C809—C810—C811	112 (2)
C345—C349—H349	119.0	C809—C810—H81C	109.3
C348—C349—C345	122.0 (15)	C809—C810—H81D	109.3
C348—C349—H349	119.0	C810—C809—H80M	109.4
C316—C315—H315	120.2	C810—C809—H80N	109.4
C316—C315—C314	119.7 (17)	C810—C809—C808	111 (2)
C314—C315—H315	120.2	H80M—C809—H80N	108.0
C13A—O1A—H1A	109.5	C808—C809—H80M	109.4
C357—C356—C355	119.3 (14)	C808—C809—H80N	109.4
C357—C356—H356	120.3	C809—C808—H80O	109.6
C355—C356—H356	120.3	C809—C808—H80P	109.6
N309—C324—N308	124.8 (13)	C809—C808—C807	110 (2)
N309—C324—C321	118.7 (14)	H80O—C808—H80P	108.1
N308—C324—C321	116.5 (14)	C807—C808—H80O	109.6
N323—C365—H365	119.4	C807—C808—H80P	109.6
N323—C365—C364	121.2 (13)	C808—C807—H80Q	109.5
C364—C365—H365	119.4	C808—C807—H80R	109.5
C337—N313—Zn33	125.8 (15)	H80Q—C807—H80R	108.1
C337—N313—Zn43	113.4 (15)	C812—C807—C808	111 (2)
C337—N313—Zn53	89 (3)	C812—C807—H80Q	109.5
C341—N313—Zn33	115.3 (17)	C812—C807—H80R	109.5
C341—N313—C337	119 (2)	C811—C812—H81E	109.6
C341—N313—Zn43	126.3 (17)	C811—C812—H81F	109.6
C341—N313—Zn53	138 (4)	C807—C812—C811	110 (2)
C338—C339—C342	119.3 (17)	C807—C812—H81E	109.6
C340—C339—C342	121.7 (17)	C807—C812—H81F	109.6
C340—C339—C338	118.9 (18)	H81E—C812—H81F	108.1
N324—C368—H368	118.5	C3B—C4B—C5B	120.0
N324—C368—C369	123.1 (14)	C3B—C4B—C7B	119.0 (15)
C369—C368—H368	118.5	C5B—C4B—C7B	121.0 (15)
N303—C307—C309	114.7 (14)	C4B—C3B—H3B	120.0
N304—C307—N303	126.7 (17)	C2B—C3B—C4B	120.0
N304—C307—C309	118.6 (15)	C2B—C3B—H3B	120.0
N306—C314—C315	122 (2)	C3B—C2B—H2B	120.0
N306—C314—H314	119.2	C3B—C2B—C1B	120.0
C315—C314—H314	119.2	C1B—C2B—H2B	120.0
C303—C304—H304	121.3	C2B—C1B—H1B	120.0
C303—C304—C305	117.4 (16)	C6B—C1B—C2B	120.0
C305—C304—H304	121.3	C6B—C1B—H1B	120.0
N323—C366—C367	121.7 (13)	C1B—C6B—H6B	120.0
N323—C366—H366	119.2	C5B—C6B—C1B	120.0
C367—C366—H366	119.2	C5B—C6B—H6B	120.0
C345—C346—H346	121.3	C4B—C5B—C13B	120.2 (16)
C347—C346—C345	117.5 (17)	C6B—C5B—C4B	120.0
C347—C346—H346	121.3	C6B—C5B—C13B	119.8 (16)
C321—C320—H320	121.3	C12B—C7B—C4B	121.3 (15)
C321—C320—C319	117.3 (16)	C12B—C7B—C8B	120.0
C319—C320—H320	121.3	C8B—C7B—C4B	118.4 (15)
N310—C326—N308	123.1 (13)	C11B—C12B—C7B	120.0
N310—C326—C334	123.2 (14)	O3B—C12B—C7B	114 (4)
N308—C326—C334	113.7 (13)	O3B—C12B—C11B	126 (4)
C327—C328—H328	120.3	C12B—C11B—H11B	120.0
C327—C328—C329	119.3 (16)	C10B—C11B—C12B	120.0
C329—C328—H328	120.3	C10B—C11B—H11B	120.0
C8A—C7A—C4A	121.2 (14)	C11B—C10B—H10B	120.0
C8A—C7A—C12A	119.8 (12)	C11B—C10B—C9B	120.0
C12A—C7A—C4A	119.0 (13)	C9B—C10B—H10B	120.0
N311—C330—H330	117.8	C10B—C9B—H9B	120.0
N311—C330—C331	124.4 (16)	C10B—C9B—C8B	120.0
C331—C330—H330	117.8	C8B—C9B—H9B	120.0
C352—C353—H353	118.5	C9B—C8B—C7B	120.0
C352—C353—C354	123.1 (18)	O2B—C8B—C7B	118.6 (16)
C354—C353—H353	118.5	O2B—C8B—C9B	121.4 (16)
N312—C336—H336	118.8	C12B—O3B—C15B	120 (4)
N312—C336—C335	122.4 (16)	C8B—O2B—C14B	118 (3)
C335—C336—H336	118.8	H81G—C816—H81H	108.0
C320—C321—C324	120.1 (15)	C815—C816—H81G	109.4
C320—C321—C322	121.0 (14)	C815—C816—H81H	109.4
C322—C321—C324	118.9 (14)	C815—C816—C817	111 (2)
C328—C327—C325	121.9 (15)	C817—C816—H81G	109.4
C328—C327—C331	122.0 (16)	C817—C816—H81H	109.4
C331—C327—C325	116.1 (14)	C816—C815—H81I	109.2
C363—C364—C365	120.2 (14)	C816—C815—H81J	109.2
C363—C364—H364	119.9	H81I—C815—H81J	107.9
C365—C364—H364	119.9	C814—C815—C816	112 (2)
C309—C310—H310	121.3	C814—C815—H81I	109.2
C309—C310—C311	117.4 (17)	C814—C815—H81J	109.2
C311—C310—H310	121.3	C815—C814—H81K	109.2
N305—C311—C310	126.2 (18)	C815—C814—H81L	109.2
N305—C311—H311	116.9	H81K—C814—H81L	107.9
C310—C311—H311	116.9	C813—C814—C815	112 (2)
N312—C332—H332	119.2	C813—C814—H81K	109.2
N312—C332—C333	121.5 (18)	C813—C814—H81L	109.2
C333—C332—H332	119.2	C814—C813—H81M	109.1
N315—C342—N314	124.6 (17)	C814—C813—H81N	109.1
N315—C342—C339	118.1 (16)	C814—C813—C818	113 (2)
N314—C342—C339	117.1 (15)	H81M—C813—H81N	107.8
N301—C305—C304	122.5 (19)	C818—C813—H81M	109.1
N301—C305—H305	118.7	C818—C813—H81N	109.1
C304—C305—H305	118.7	C813—C818—H81O	109.2
C370—C369—C368	119.6 (15)	C813—C818—H81P	109.2
C370—C369—H369	120.2	C813—C818—C817	112 (2)
C368—C369—H369	120.2	H81O—C818—H81P	107.9
C334—C333—C332	122.0 (19)	C817—C818—H81O	109.2
C334—C333—H333	119.0	C817—C818—H81P	109.2
C332—C333—H333	119.0	C816—C817—H81Q	109.3
C309—C313—H313	121.3	C816—C817—H81R	109.3
C312—C313—C309	117.4 (17)	C818—C817—C816	112 (2)
C312—C313—H313	121.3	C818—C817—H81Q	109.3
C330—C331—H331	122.2	C818—C817—H81R	109.3
C327—C331—C330	115.6 (16)	H81Q—C817—H81R	108.0
C327—C331—H331	122.2	O2B—C14B—H14D	109.5
N307—C319—C320	122.7 (16)	O2B—C14B—H14E	109.5
N307—C319—H319	118.7	O2B—C14B—H14F	109.5
C320—C319—H319	118.7	H14D—C14B—H14E	109.5
N319—C359—C358	123.4 (17)	H14D—C14B—H14F	109.5
N319—C359—H359	118.3	H14E—C14B—H14F	109.5
C358—C359—H359	118.3	O3B—C15B—H15D	109.5
N306—C318—H318	116.5	O3B—C15B—H15E	109.5
N306—C318—C317	127 (2)	O3B—C15B—H15F	109.5
C317—C318—H318	116.5	H15D—C15B—H15E	109.5
C334—C335—C336	117.8 (17)	H15D—C15B—H15F	109.5
C334—C335—H335	121.1	H15E—C15B—H15F	109.5
C336—C335—H335	121.1	C5B—C13B—H13C	110.1
C3A—C4A—C7A	117.9 (13)	C5B—C13B—H13D	110.1
C3A—C4A—C5A	120.6 (11)	H13C—C13B—H13D	108.4
C5A—C4A—C7A	121.5 (14)	O1B—C13B—C5B	108 (3)
N313—C337—H337	118.7	O1B—C13B—H13C	110.1
N313—C337—C338	123 (2)	O1B—C13B—H13D	110.1
C338—C337—H337	118.7	C13B—O1B—H1BA	109.5
Zn34—N317—C348—C349	−169.6 (12)	C321—C322—C323—N307	5 (5)
Zn34—N317—C347—C346	171.2 (18)	C327—C328—C329—N311	3 (4)
Zn34^v—N323—C365—C364	178.6 (17)	C364—C363—C367—C366	4 (3)
Zn34^v—N323—C366—C367	−178.7 (15)	C310—C309—C307—N303	−21 (2)
Zn45—N319—C355—C356	175.7 (15)	C310—C309—C307—N304	160.8 (18)
Zn45—N319—C359—C358	177.5 (17)	C310—C309—C313—C312	0 (3)
Zn45—N318—C354—C353	−177.8 (17)	C311—N305—C312—C313	3 (3)
Zn45—N318—C350—C351	−178 (2)	C332—N312—C336—C335	4 (3)
Zn32^iv—N301—C301—C302	−172.4 (12)	C342—N315—C343—N316	4 (2)
Zn32^iv—N301—C305—C304	171.0 (16)	C342—N315—C343—C345	−174.9 (14)
Zn32—N311—C330—C331	−175.1 (19)	C342—N314—C344—N316	1 (3)
Zn32—N311—C329—C328	172.1 (18)	C342—N314—C344—C352	176.7 (16)
Zn46—N324—C372—C371	179.1 (16)	C342—C339—C338—C337	178 (2)
Zn46—N324—C368—C369	179.3 (17)	C342—C339—C340—C341	−177 (3)
Zn46^vi—N305—C311—C310	176 (2)	C305—N301—C301—C302	3 (3)
Zn46^vi—N305—C312—C313	−176.3 (17)	C369—C370—C362—N320	14 (2)
Zn31—N306—C314—C315	172.7 (13)	C369—C370—C362—N322	−169.6 (16)
Zn31—N306—C318—C317	−173 (2)	C369—C370—C371—C372	2 (3)
Zn31—N307—C319—C320	−170.3 (16)	C333—C334—C326—N310	−172 (2)
Zn31—N307—C323—C322	165 (3)	C333—C334—C326—N308	6 (3)
Zn33—N312—C336—C335	−178.2 (15)	C333—C334—C335—C336	0 (3)
Zn33—N312—C332—C333	179.4 (18)	C313—C309—C307—N303	159.1 (15)
Zn33—N313—C337—C338	170.7 (19)	C313—C309—C307—N304	−19 (2)
Zn33—N313—C341—C340	−170 (3)	C313—C309—C310—C311	0 (3)
N321—C361—C363—C367	−177.4 (15)	C319—N307—C323—C322	−2 (4)
N321—C361—C363—C364	−2 (2)	C319—C320—C321—C324	178.3 (17)
N302—C308—C316—C315	1 (2)	C319—C320—C321—C322	−2 (3)
N302—C308—C316—C317	−176.9 (17)	C359—N319—C355—C356	1 (3)
N316—C343—C345—C349	−8 (2)	C318—N306—C314—C315	1 (3)
N316—C343—C345—C346	168.7 (15)	C335—C334—C326—N310	10 (3)
N317—C348—C349—C345	−3 (2)	C335—C334—C326—N308	−172.2 (17)
N322—C361—C363—C367	1 (2)	C335—C334—C333—C332	1 (3)
N322—C361—C363—C364	176.8 (16)	C4A—C7A—C8A—O2A	−2 (3)
N324—C372—C371—C370	2 (3)	C4A—C7A—C8A—C9A	177 (2)
N324—C368—C369—C370	1 (3)	C4A—C7A—C12A—O3A	4 (3)
N310—C325—C327—C328	−178 (2)	C4A—C7A—C12A—C11A	−177 (2)
N310—C325—C327—C331	4 (3)	C4A—C3A—C2A—C1A	0 (3)
N301—C301—C302—C303	2 (2)	C4A—C5A—C6A—C1A	−1 (4)
N304—C308—C316—C315	−175.3 (14)	C4A—C5A—C13A—O1A	−159 (2)
N304—C308—C316—C317	7 (2)	C337—N313—C341—C340	14 (5)
C361—N321—C360—N320	−1 (2)	C8A—C7A—C4A—C3A	−73 (3)
C361—N321—C360—C357	177.6 (13)	C8A—C7A—C4A—C5A	107 (3)
C361—N322—C362—N320	−11 (2)	C8A—C7A—C12A—O3A	−178 (2)
C361—N322—C362—C370	173.1 (13)	C8A—C7A—C12A—C11A	2 (3)
C361—C363—C367—C366	179.2 (16)	C329—N311—C330—C331	0 (4)
C361—C363—C364—C365	−179.3 (17)	C329—C328—C327—C325	−177 (2)
N319—C355—C356—C357	1 (3)	C329—C328—C327—C331	0 (4)
N323—C365—C364—C363	3 (3)	C347—N317—C348—C349	6 (2)
N309—C325—C327—C328	−1 (3)	C312—N305—C311—C310	−3 (3)
N309—C325—C327—C331	−178.3 (19)	C323—N307—C319—C320	−4 (3)
N309—C324—C321—C320	2 (3)	C3A—C4A—C5A—C6A	−1 (4)
N309—C324—C321—C322	−177 (2)	C3A—C4A—C5A—C13A	−176 (2)
N315—C343—C345—C349	170.3 (15)	C5A—C4A—C3A—C2A	2 (3)
N315—C343—C345—C346	−13 (2)	C12A—C7A—C4A—C3A	106 (2)
N318—C450—C451—C352	−5 (8)	C12A—C7A—C4A—C5A	−74 (3)
N318—C350—C351—C352	−8 (4)	C12A—C7A—C8A—O2A	180 (2)
N312—C336—C335—C334	−3 (3)	C12A—C7A—C8A—C9A	−2 (3)
N312—C332—C333—C334	0 (4)	C12A—C11A—C10A—C9A	0 (4)
N306—C318—C317—C316	3 (4)	C338—C339—C342—N315	16 (3)
N308—C324—C321—C320	179.5 (18)	C338—C339—C342—N314	−160 (2)
N308—C324—C321—C322	0 (3)	C338—C339—C340—C341	0 (4)
N311—C330—C331—C327	3 (4)	C341—N313—C337—C338	−14 (4)
C357—C358—C359—N319	12 (3)	C317—C316—C315—C314	4 (3)
C308—N302—C306—N303	1.6 (19)	C354—N318—C450—C451	−34 (6)
C308—N302—C306—C303	175.9 (11)	C354—N318—Zn55—N319	107 (2)
C308—N304—C307—N303	1 (2)	C354—N318—Zn55—I509	−140 (2)
C308—N304—C307—C309	179.2 (13)	C354—N318—Zn55—I510	1 (3)
C308—C316—C315—C314	−173.4 (14)	C354—N318—C350—C351	22 (4)
C308—C316—C317—C318	173.4 (19)	C11A—C10A—C9A—C8A	0 (4)
C303—C304—C305—N301	0 (3)	C2A—C1A—C6A—C5A	2 (3)
C343—N316—C344—N314	1 (2)	C6A—C5A—C13A—O1A	26 (4)
C343—N316—C344—C352	−175.1 (14)	C6A—C1A—C2A—C3A	−2 (3)
C343—N315—C342—N314	−2 (3)	C340—C339—C342—N315	−167 (2)
C343—N315—C342—C339	−178.0 (15)	C340—C339—C342—N314	16 (3)
C343—C345—C349—C348	176.5 (14)	C340—C339—C338—C337	1 (4)
C343—C345—C346—C347	−175.3 (17)	C14A—O2A—C8A—C7A	−175 (2)
O2A—C8A—C9A—C10A	179 (2)	C14A—O2A—C8A—C9A	7 (3)
C352—C353—C354—N318	5 (4)	C13A—C5A—C6A—C1A	174 (2)
C301—N301—C305—C304	−4 (3)	C450—N318—C354—C353	35 (3)
C360—N321—C361—N322	−1 (2)	C451—C352—C344—N316	−152 (3)
C360—N321—C361—C363	178.0 (12)	C451—C352—C344—N314	32 (3)
C360—N320—C362—N322	10 (2)	C451—C352—C353—C354	−44 (3)
C360—N320—C362—C370	−173.9 (14)	C15A—O3A—C12A—C7A	−178 (3)
C360—C357—C358—C359	176.3 (19)	C15A—O3A—C12A—C11A	3 (4)
C360—C357—C356—C355	177.3 (16)	Zn42^iv—N301—C301—C302	−172.5 (12)
C316—C315—C314—N306	−3 (3)	Zn42^iv—N301—C305—C304	171.4 (16)
C363—C367—C366—N323	−2 (3)	Zn42—N311—C330—C331	−175.2 (19)
C309—C310—C311—N305	2 (4)	Zn42—N311—C329—C328	171.8 (17)
C309—C313—C312—N305	−1 (3)	Zn35—N319—C355—C356	173.9 (14)
C372—N324—C368—C369	2 (3)	Zn35—N319—C359—C358	178.9 (17)
C344—N316—C343—N315	−3 (2)	Zn35—N318—C354—C353	−177.4 (17)
C344—N316—C343—C345	175.3 (13)	Zn35—N318—C450—C451	179 (4)
C344—N314—C342—N315	0 (3)	Zn43—N312—C336—C335	178.8 (16)
C344—N314—C342—C339	176.2 (16)	Zn43—N312—C332—C333	−176.5 (17)
C344—C352—C353—C354	177 (2)	Zn43—N313—C337—C338	180 (2)
C344—C352—C451—C450	−177 (4)	Zn43—N313—C341—C340	179 (2)
C344—C352—C351—C350	−175 (2)	Zn44—N317—C348—C349	−170.2 (12)
C306—N302—C308—N304	0.8 (19)	Zn44—N317—C347—C346	171.0 (16)
C306—N302—C308—C316	−174.9 (11)	Zn44^v—N323—C365—C364	−172.8 (16)
C306—N303—C307—N304	1 (2)	Zn44^v—N323—C366—C367	173.0 (15)
C306—N303—C307—C309	−177.2 (12)	Zn41—N306—C314—C315	172.2 (13)
C306—C303—C302—C301	178.4 (13)	Zn41—N306—C318—C317	−174 (2)
C306—C303—C304—C305	−179.6 (16)	Zn41—N307—C319—C320	−179.4 (16)
C302—C303—C306—N302	173.4 (12)	Zn41—N307—C323—C322	173 (2)
C302—C303—C306—N303	−11.8 (19)	Zn36—N324—C372—C371	179.7 (15)
C302—C303—C304—C305	5 (3)	Zn36—N324—C368—C369	178.9 (17)
C362—N320—C360—N321	−4 (2)	Zn55—N319—C355—C356	178 (2)
C362—N320—C360—C357	178.1 (15)	Zn55—N319—C359—C358	175 (2)
C362—N322—C361—N321	6 (2)	Zn55—N318—C354—C353	174 (2)
C362—N322—C361—C363	−172.6 (13)	Zn53—N312—C336—C335	165 (3)
C362—C370—C371—C372	−176.7 (16)	Zn53—N312—C332—C333	−144 (5)
C362—C370—C369—C368	175.3 (17)	Zn53—N313—C337—C338	−160 (4)
C325—N310—C326—N308	6 (3)	Zn53—N313—C341—C340	139 (5)
C325—N310—C326—C334	−176.5 (17)	Zn54—N323—C365—C364	−145 (3)
C325—N309—C324—N308	2 (3)	Zn54—N323—C366—C367	144 (3)
C325—N309—C324—C321	179.4 (16)	Zn52—N311—C330—C331	−154 (3)
C325—C327—C331—C330	174 (2)	Zn52—N311—C329—C328	144 (2)
C355—N319—C359—C358	−8 (3)	Zn51—N306—C314—C315	167.3 (15)
C345—C346—C347—N317	1 (3)	Zn51—N306—C318—C317	−161 (2)
O3A—C12A—C11A—C10A	178 (2)	Zn51—N307—C319—C320	−151 (2)
C348—N317—C347—C346	−5 (3)	Zn51—N307—C323—C322	154 (3)
C367—C363—C364—C365	−4 (3)	C350—N318—C354—C353	−20 (3)
C358—C357—C360—N321	−174.8 (16)	C351—C352—C344—N316	150 (2)
C358—C357—C360—N320	4 (3)	C351—C352—C344—N314	−26 (3)
C358—C357—C356—C355	3 (3)	C351—C352—C353—C354	9 (3)
C371—C370—C362—N320	−167.8 (15)	C801—C806—C805—C804	54 (5)
C371—C370—C362—N322	9 (2)	C806—C801—C802—C803	60 (4)
C371—C370—C369—C368	−3 (3)	C806—C805—C804—C803	−52 (5)
C349—C345—C346—C347	2 (3)	C805—C804—C803—C802	54 (4)
C315—C316—C317—C318	−4 (3)	C804—C803—C802—C801	−59 (4)
C356—C357—C360—N321	11 (2)	C802—C801—C806—C805	−58 (4)
C356—C357—C360—N320	−170.7 (16)	C811—C810—C809—C808	55 (5)
C356—C357—C358—C359	−9 (3)	C810—C811—C812—C807	57 (5)
C324—N309—C325—N310	−7 (3)	C810—C809—C808—C807	−56 (5)
C324—N309—C325—C327	175.8 (16)	C809—C808—C807—C812	57 (5)
C324—N308—C326—N310	−10 (3)	C808—C807—C812—C811	−58 (5)
C324—N308—C326—C334	172.2 (16)	C812—C811—C810—C809	−56 (5)
C324—C321—C322—C323	177 (2)	C4B—C3B—C2B—C1B	0.0
C365—N323—C366—C367	1 (3)	C4B—C5B—C13B—O1B	−77 (6)
C365—N323—Zn54—I507	−54 (3)	C4B—C7B—C12B—C11B	−174 (3)
C365—N323—Zn54—I508	94 (4)	C4B—C7B—C12B—O3B	5 (3)
N313—C337—C338—C339	6 (4)	C4B—C7B—C8B—C9B	174 (3)
N313—C341—C340—C339	−7 (5)	C4B—C7B—C8B—O2B	−6 (3)
C368—N324—C372—C371	−4 (3)	C3B—C4B—C5B—C6B	0.0
C307—N303—C306—N302	−2 (2)	C3B—C4B—C5B—C13B	177 (2)
C307—N303—C306—C303	−176.5 (12)	C3B—C4B—C7B—C12B	92 (3)
C307—N304—C308—N302	−2 (2)	C3B—C4B—C7B—C8B	−82 (3)
C307—N304—C308—C316	173.7 (12)	C3B—C2B—C1B—C6B	0.0
C307—C309—C310—C311	−179.9 (19)	C2B—C1B—C6B—C5B	0.0
C307—C309—C313—C312	179.6 (17)	C1B—C6B—C5B—C4B	0.0
C314—N306—C318—C317	−2 (4)	C1B—C6B—C5B—C13B	−177 (2)
C304—C303—C306—N302	−2 (2)	C6B—C5B—C13B—O1B	100 (6)
C304—C303—C306—N303	172.9 (15)	C5B—C4B—C3B—C2B	0.0
C304—C303—C302—C301	−6 (2)	C5B—C4B—C7B—C12B	−86 (3)
C366—N323—C365—C364	−1 (3)	C5B—C4B—C7B—C8B	100 (3)
C366—N323—Zn54—I507	161.1 (17)	C7B—C4B—C3B—C2B	−178 (4)
C366—N323—Zn54—I508	−51 (5)	C7B—C4B—C5B—C6B	178 (4)
C346—C345—C349—C348	−1 (2)	C7B—C4B—C5B—C13B	−5 (4)
C320—C321—C322—C323	−3 (4)	C7B—C12B—C11B—C10B	0.0
C326—N310—C325—N309	3 (3)	C7B—C12B—O3B—C15B	−172 (8)
C326—N310—C325—C327	−179.6 (17)	C7B—C8B—O2B—C14B	−169 (9)
C326—N308—C324—N309	6 (3)	C12B—C7B—C8B—C9B	0.0
C326—N308—C324—C321	−171.8 (16)	C12B—C7B—C8B—O2B	−180 (2)
C326—C334—C333—C332	−177 (2)	C12B—C11B—C10B—C9B	0.0
C326—C334—C335—C336	178.3 (17)	C11B—C12B—O3B—C15B	7 (9)
C328—C327—C331—C330	−3 (4)	C11B—C10B—C9B—C8B	0.0
C7A—C4A—C3A—C2A	−178.2 (18)	C10B—C9B—C8B—C7B	0.0
C7A—C4A—C5A—C6A	179 (2)	C10B—C9B—C8B—O2B	180 (2)
C7A—C4A—C5A—C13A	4 (4)	C9B—C8B—O2B—C14B	11 (10)
C7A—C8A—C9A—C10A	1 (4)	C8B—C7B—C12B—C11B	0.0
C7A—C12A—C11A—C10A	−1 (4)	C8B—C7B—C12B—O3B	179 (3)
C330—N311—C329—C328	−3 (3)	O3B—C12B—C11B—C10B	−179 (4)
C353—C352—C344—N316	−18 (3)	C816—C815—C814—C813	53 (5)
C353—C352—C344—N314	165.6 (19)	C815—C816—C817—C818	55 (5)
C353—C352—C451—C450	42 (5)	C815—C814—C813—C818	−51 (5)
C353—C352—C351—C350	−7 (4)	C814—C813—C818—C817	52 (5)
C336—N312—C332—C333	−2 (3)	C813—C818—C817—C816	−54 (5)
C321—C320—C319—N307	6 (3)	C817—C816—C815—C814	−55 (5)

Symmetry codes: (i) x−1/2, −y, z−1/2; (ii) x−1/2, −y+1, z−1/2; (iii) x−1/2, −y, z+1/2; (iv) x+1/2, −y+1, z+1/2; (v) x+1/2, −y, z+1/2; (vi) x+1/2, −y, z−1/2.

catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc (50_10_48c)

Crystal data

C36H24I6N12Zn3·0.25[]	F(000) = 5856
Mr = 1582.18	Dx = 1.366 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 34.3804 (16) Å	Cell parameters from 6745 reflections
b = 15.0439 (5) Å	θ = 2.9–69.4°
c = 30.3200 (17) Å	µ = 20.19 mm^−1
β = 101.107 (5)°	T = 100 K
V = 15388.2 (13) Å^3	Block, colourless
Z = 8	0.26 × 0.12 × 0.1 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	13991 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	9120 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.061
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 3.0°
profile data from ω–scans	h = −41→38
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −17→18
Tmin = 0.037, Tmax = 0.293	l = −36→33
51653 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.119	H-atom parameters constrained
wR(F^2) = 0.419	w = 1/[σ^2(Fo^2) + (0.3064P)^2 + 1.280P] where P = (Fo^2 + 2Fc^2)/3
S = 1.12	(Δ/σ)max < 0.001
13991 reflections	Δρmax = 1.90 e Å^−3
634 parameters	Δρmin = −1.12 e Å^−3
95 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. No guests or solvent were identified from the electron density map, SQUEEZE has been applied to address the residual electron density within the pore. SQUEEZE analysis indicated one void with a volume of 867 Ang**3 and an electron count of 210. This is equivalent to 4.38 cyclohexane molecules or 1.62 BBA-8,12-OMe molecules.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I305	0.52322 (9)	0.6493 (2)	0.63583 (6)	0.0955 (5)	0.5858
I306	0.61873 (13)	0.7337 (2)	0.55751 (9)	0.1108 (10)	0.5858
I401	0.8835 (3)	0.7506 (5)	0.9060 (5)	0.190 (4)	0.3606
I402	0.8497 (2)	0.5900 (11)	1.0194 (2)	0.171 (5)	0.3606
I403	0.73292 (11)	−0.2341 (2)	0.79406 (12)	0.1277 (9)	0.4679
Zn33	0.58073 (17)	0.6226 (4)	0.59428 (14)	0.0841 (14)	0.5858
I404	0.62756 (12)	−0.16131 (19)	0.69302 (8)	0.1279 (10)	0.4679
Zn41	0.8702 (2)	0.6044 (6)	0.9451 (3)	0.088 (2)	0.3606
Zn42	0.67144 (17)	−0.1420 (3)	0.76942 (18)	0.0981 (13)	0.4679
N302	0.7186 (3)	0.4434 (5)	0.7759 (4)	0.101 (3)
N306	0.6195 (3)	0.5483 (6)	0.6414 (4)	0.106 (3)
N303	0.7338 (3)	0.3091 (6)	0.8132 (4)	0.103 (3)
N310	0.5388 (3)	0.1469 (7)	0.4153 (4)	0.105 (3)
N309	0.5194 (3)	0.2291 (6)	0.4738 (3)	0.093 (3)
N304	0.6809 (3)	0.3164 (6)	0.7533 (4)	0.107 (4)
N307	0.5616 (4)	0.5189 (8)	0.5490 (4)	0.108 (3)
N301	0.8294 (3)	0.5333 (7)	0.8984 (5)	0.128 (5)
N00I	0.4191 (4)	−0.0141 (9)	0.4502 (6)	0.127 (5)
C325	0.5167 (4)	0.1596 (7)	0.4460 (5)	0.096 (4)
N308	0.5723 (3)	0.2805 (8)	0.4394 (4)	0.103 (3)
C319	0.5325 (3)	0.4640 (11)	0.5505 (5)	0.111 (4)
H319	0.514704	0.476581	0.570059	0.133*
C321	0.5502 (4)	0.3699 (9)	0.4950 (5)	0.102 (4)
C307	0.7037 (4)	0.2724 (7)	0.7815 (6)	0.111 (4)
N305	0.6883 (5)	−0.0037 (9)	0.7802 (7)	0.148 (5)
C320	0.5267 (4)	0.3868 (8)	0.5239 (5)	0.098 (4)
H320	0.506001	0.346643	0.526639	0.118*
C308	0.6900 (3)	0.4047 (7)	0.7468 (5)	0.094 (3)
C316	0.6654 (3)	0.4549 (9)	0.7120 (5)	0.100 (4)
C326	0.5661 (3)	0.2055 (8)	0.4138 (5)	0.096 (3)
C327	0.4823 (4)	0.0988 (7)	0.4490 (6)	0.101 (4)
C315	0.6734 (4)	0.5427 (7)	0.7034 (5)	0.113 (5)
H315	0.695089	0.572681	0.721474	0.136*
C305	0.8065 (5)	0.5680 (9)	0.8680 (7)	0.144 (7)
H305	0.809105	0.630729	0.866463	0.172*
C306	0.7402 (4)	0.3957 (8)	0.8087 (5)	0.101 (4)
C303	0.7702 (4)	0.4405 (7)	0.8409 (5)	0.107 (4)
C314	0.6495 (4)	0.5859 (8)	0.6683 (5)	0.117 (5)
H314	0.655100	0.646526	0.663221	0.140*
C309	0.6980 (4)	0.1762 (8)	0.7832 (5)	0.103 (4)
C328	0.4644 (5)	0.0961 (9)	0.4842 (7)	0.118 (5)
H328	0.472456	0.136081	0.508551	0.141*
C329	0.4330 (4)	0.0332 (11)	0.4861 (6)	0.118 (5)
H329	0.422590	0.026330	0.512703	0.142*
C304	0.7776 (5)	0.5329 (8)	0.8357 (6)	0.143 (7)
H304	0.763509	0.567172	0.811528	0.171*
C302	0.7929 (5)	0.3987 (8)	0.8767 (6)	0.139 (7)
H302	0.788952	0.337179	0.881381	0.167*
C301	0.8220 (5)	0.4451 (8)	0.9069 (7)	0.144 (8)
H301	0.836361	0.416268	0.932875	0.172*
C324	0.5486 (4)	0.2873 (10)	0.4677 (5)	0.106 (4)
C318	0.6119 (5)	0.4585 (10)	0.6496 (7)	0.152 (8)
H318	0.590781	0.427914	0.630891	0.183*
N311	0.6442 (7)	0.1632 (10)	0.3231 (8)	0.155 (6)
C312	0.6661 (9)	0.0500 (14)	0.7543 (10)	0.178 (8)
H312	0.646747	0.022728	0.731847	0.213*
C317	0.6345 (6)	0.4172 (10)	0.6837 (9)	0.186 (12)
H317	0.628583	0.356817	0.688768	0.223*
C334	0.5918 (4)	0.1937 (10)	0.3826 (6)	0.114 (4)
C323	0.5859 (7)	0.5011 (12)	0.5197 (8)	0.143 (7)
H323	0.604667	0.545278	0.515823	0.172*
C311	0.7179 (6)	0.0263 (12)	0.8094 (9)	0.152 (6)
H311	0.735323	−0.012290	0.828717	0.183*
C310	0.7230 (6)	0.1184 (10)	0.8109 (8)	0.144 (6)
H310	0.744534	0.142497	0.831885	0.172*
C335	0.5837 (6)	0.1338 (13)	0.3483 (8)	0.146 (7)
H335	0.558884	0.104049	0.342836	0.175*
C313	0.6659 (6)	0.1364 (11)	0.7539 (8)	0.149 (7)
H313	0.645790	0.170016	0.735380	0.179*
C322	0.5853 (7)	0.4226 (18)	0.4948 (7)	0.170 (10)
H322	0.605736	0.405826	0.479349	0.204*
C333	0.6261 (7)	0.2347 (13)	0.3833 (10)	0.150 (8)
H333	0.636250	0.271122	0.408469	0.181*
C332	0.6463 (9)	0.228 (2)	0.3521 (10)	0.177 (11)
H332	0.664436	0.274895	0.349794	0.212*
C336	0.6106 (9)	0.1155 (15)	0.3213 (10)	0.167 (9)
H336	0.605379	0.067476	0.300648	0.201*
C331	0.4668 (9)	0.047 (2)	0.4125 (8)	0.217 (15)
H331	0.477399	0.050237	0.385835	0.260*
I303	0.75272 (17)	−0.2168 (3)	0.8226 (3)	0.225 (3)	0.5024
Zn32	0.6885 (4)	−0.1461 (6)	0.7892 (5)	0.204 (5)	0.5024
I304	0.6519 (3)	−0.1912 (3)	0.7111 (3)	0.233 (3)	0.5024
I503	0.7598 (7)	−0.195 (2)	0.8557 (7)	0.080*	0.0296
I504	0.6455 (6)	−0.2103 (18)	0.7409 (7)	0.080*	0.0296
Zn52	0.691 (2)	−0.145 (5)	0.791 (2)	0.080*	0.0296
Zn31	0.8743 (3)	0.5851 (6)	0.9464 (4)	0.171 (5)	0.4852
I301	0.8912 (2)	0.7364 (6)	0.9135 (5)	0.204 (4)	0.4852
I302	0.8469 (3)	0.5769 (8)	1.0176 (4)	0.241 (6)	0.4852
I501	0.8729 (5)	0.7333 (13)	0.9310 (10)	0.193 (11)	0.1542
Zn51	0.8583 (4)	0.5924 (10)	0.9636 (5)	0.088 (2)	0.1542
I502	0.8405 (4)	0.5361 (12)	1.0321 (5)	0.137 (4)	0.1542
C330	0.4368 (10)	−0.010 (2)	0.4142 (12)	0.221 (16)
H330	0.427709	−0.047316	0.389296	0.265*
I505	0.5355 (6)	0.6630 (15)	0.6177 (7)	0.080*	0.0494
I506	0.6408 (5)	0.7217 (11)	0.5430 (5)	0.080*	0.0494
Zn53	0.6001 (9)	0.615 (2)	0.5695 (10)	0.080*	0.0494
I406	0.6117 (2)	0.7374 (4)	0.5651 (3)	0.182 (4)	0.3648
Zn43	0.5756 (3)	0.6165 (6)	0.5982 (4)	0.146 (7)	0.3648
I405	0.5155 (3)	0.6459 (7)	0.6337 (4)	0.266 (8)	0.3648

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I305	0.0929 (9)	0.0929 (14)	0.0919 (7)	0.0254 (8)	−0.0044 (7)	−0.0005 (7)
I306	0.144 (2)	0.0660 (16)	0.1138 (10)	−0.0291 (13)	0.0022 (13)	−0.0056 (9)
I401	0.121 (4)	0.040 (2)	0.346 (11)	0.009 (2)	−0.117 (6)	0.008 (3)
I402	0.091 (3)	0.258 (13)	0.152 (4)	0.008 (4)	−0.005 (2)	−0.113 (6)
I403	0.144 (2)	0.0601 (13)	0.184 (2)	0.0207 (13)	0.0441 (17)	0.0285 (13)
Zn33	0.095 (2)	0.052 (3)	0.0899 (18)	−0.0017 (16)	−0.0214 (18)	−0.0052 (15)
I404	0.196 (3)	0.0624 (13)	0.1151 (13)	−0.0214 (14)	0.0037 (14)	−0.0089 (9)
Zn41	0.058 (3)	0.055 (3)	0.132 (5)	0.030 (3)	−0.027 (2)	−0.033 (3)
Zn42	0.126 (3)	0.046 (2)	0.121 (2)	−0.0061 (19)	0.018 (3)	0.0031 (16)
N302	0.101 (5)	0.026 (3)	0.148 (7)	0.013 (3)	−0.048 (5)	−0.008 (4)
N306	0.107 (6)	0.041 (4)	0.140 (7)	0.006 (4)	−0.051 (6)	−0.007 (4)
N303	0.095 (5)	0.049 (5)	0.143 (7)	0.012 (4)	−0.031 (5)	−0.008 (5)
N310	0.103 (6)	0.066 (6)	0.129 (8)	0.002 (5)	−0.017 (6)	0.006 (5)
N309	0.091 (5)	0.043 (4)	0.124 (6)	−0.002 (4)	−0.031 (5)	0.002 (4)
N304	0.112 (6)	0.033 (4)	0.148 (8)	0.000 (4)	−0.047 (6)	−0.009 (4)
N307	0.109 (7)	0.080 (7)	0.122 (7)	−0.019 (5)	−0.015 (6)	−0.017 (6)
N301	0.110 (6)	0.041 (5)	0.193 (11)	0.012 (4)	−0.068 (7)	−0.013 (6)
N00I	0.101 (7)	0.078 (8)	0.180 (12)	−0.018 (6)	−0.031 (8)	−0.002 (8)
C325	0.116 (8)	0.044 (5)	0.113 (7)	−0.020 (5)	−0.017 (7)	−0.015 (5)
N308	0.080 (5)	0.088 (7)	0.124 (7)	0.002 (5)	−0.026 (6)	−0.016 (6)
C319	0.080 (5)	0.103 (10)	0.128 (8)	0.015 (6)	−0.032 (6)	0.005 (7)
C321	0.104 (7)	0.065 (7)	0.114 (8)	−0.017 (6)	−0.032 (7)	−0.004 (6)
C307	0.115 (8)	0.029 (5)	0.169 (11)	−0.004 (5)	−0.022 (8)	−0.011 (6)
N305	0.159 (10)	0.049 (6)	0.228 (14)	−0.025 (6)	0.019 (9)	−0.031 (7)
C320	0.097 (6)	0.060 (6)	0.119 (8)	−0.014 (5)	−0.026 (7)	−0.002 (6)
C308	0.094 (6)	0.034 (5)	0.139 (8)	0.010 (4)	−0.012 (6)	−0.005 (5)
C316	0.081 (5)	0.070 (7)	0.133 (8)	0.007 (5)	−0.023 (6)	−0.007 (6)
C326	0.088 (6)	0.062 (6)	0.124 (8)	−0.006 (5)	−0.020 (6)	−0.009 (6)
C327	0.096 (6)	0.036 (5)	0.148 (10)	−0.010 (4)	−0.034 (8)	−0.004 (6)
C315	0.109 (7)	0.044 (5)	0.153 (10)	−0.010 (5)	−0.059 (7)	0.016 (6)
C305	0.125 (9)	0.051 (7)	0.212 (16)	0.015 (6)	−0.076 (11)	−0.018 (8)
C306	0.100 (6)	0.049 (6)	0.140 (9)	0.005 (5)	−0.014 (7)	−0.001 (6)
C303	0.106 (7)	0.037 (5)	0.155 (10)	0.019 (5)	−0.031 (7)	−0.003 (5)
C314	0.122 (8)	0.044 (5)	0.147 (9)	−0.010 (5)	−0.067 (8)	−0.008 (6)
C309	0.114 (7)	0.042 (5)	0.135 (8)	0.006 (5)	−0.022 (6)	−0.006 (5)
C328	0.116 (9)	0.050 (6)	0.163 (13)	−0.021 (6)	−0.034 (10)	0.001 (7)
C329	0.094 (7)	0.084 (9)	0.158 (11)	−0.012 (6)	−0.024 (8)	0.007 (8)
C304	0.135 (9)	0.038 (5)	0.204 (14)	0.004 (5)	−0.096 (11)	−0.009 (7)
C302	0.131 (9)	0.042 (6)	0.196 (14)	0.009 (6)	−0.086 (10)	−0.026 (7)
C301	0.138 (10)	0.038 (5)	0.206 (14)	0.017 (6)	−0.092 (11)	−0.032 (7)
C324	0.094 (7)	0.078 (8)	0.127 (9)	−0.004 (6)	−0.024 (8)	−0.012 (7)
C318	0.140 (10)	0.069 (8)	0.194 (14)	0.006 (7)	−0.104 (12)	−0.016 (8)
N311	0.217 (19)	0.056 (7)	0.208 (16)	−0.003 (9)	0.085 (15)	−0.009 (9)
C312	0.214 (16)	0.065 (7)	0.222 (16)	−0.019 (8)	−0.038 (13)	−0.042 (9)
C317	0.154 (13)	0.053 (8)	0.29 (3)	−0.035 (8)	−0.117 (16)	−0.001 (10)
C334	0.100 (7)	0.080 (9)	0.146 (11)	−0.010 (6)	−0.014 (8)	0.006 (8)
C323	0.164 (15)	0.081 (10)	0.190 (16)	−0.058 (11)	0.052 (14)	−0.043 (11)
C311	0.148 (11)	0.062 (7)	0.229 (16)	0.022 (7)	−0.004 (10)	−0.005 (9)
C310	0.143 (10)	0.054 (6)	0.203 (14)	0.013 (6)	−0.047 (10)	0.028 (7)
C335	0.129 (11)	0.093 (12)	0.193 (17)	0.004 (9)	−0.022 (12)	−0.031 (12)
C313	0.140 (10)	0.065 (7)	0.212 (15)	−0.006 (7)	−0.041 (10)	−0.033 (8)
C322	0.165 (15)	0.17 (2)	0.167 (15)	−0.093 (16)	0.019 (13)	−0.087 (15)
C333	0.150 (15)	0.078 (11)	0.23 (2)	−0.008 (10)	0.047 (16)	−0.032 (12)
C332	0.18 (2)	0.17 (3)	0.20 (2)	−0.054 (18)	0.09 (2)	−0.051 (19)
C336	0.20 (2)	0.090 (14)	0.20 (2)	0.034 (15)	0.007 (18)	−0.039 (13)
C331	0.21 (2)	0.24 (3)	0.170 (17)	−0.13 (2)	−0.028 (16)	−0.089 (19)
I303	0.198 (4)	0.072 (2)	0.431 (10)	0.058 (3)	0.126 (6)	0.084 (4)
Zn32	0.209 (9)	0.038 (2)	0.375 (16)	0.000 (4)	0.079 (9)	0.004 (5)
I304	0.335 (8)	0.092 (3)	0.297 (7)	−0.078 (4)	0.123 (6)	−0.065 (3)
Zn31	0.113 (5)	0.065 (4)	0.280 (9)	0.057 (3)	−0.099 (5)	−0.076 (4)
I301	0.159 (5)	0.043 (2)	0.329 (7)	0.011 (3)	−0.153 (6)	−0.003 (3)
I302	0.156 (5)	0.155 (6)	0.362 (13)	0.020 (4)	−0.075 (6)	−0.091 (7)
I501	0.127 (9)	0.048 (4)	0.32 (2)	−0.020 (5)	−0.153 (13)	0.009 (8)
Zn51	0.058 (3)	0.055 (3)	0.132 (5)	0.030 (3)	−0.027 (2)	−0.033 (3)
I502	0.090 (5)	0.156 (12)	0.149 (8)	0.006 (5)	−0.019 (5)	−0.077 (8)
C330	0.21 (3)	0.20 (3)	0.23 (3)	−0.13 (3)	−0.01 (2)	−0.08 (2)
I406	0.139 (4)	0.052 (2)	0.305 (10)	0.0032 (19)	−0.081 (5)	0.013 (3)
Zn43	0.126 (7)	0.042 (4)	0.220 (12)	0.010 (4)	−0.090 (7)	0.005 (5)
I405	0.224 (9)	0.112 (5)	0.382 (13)	0.072 (5)	−0.142 (9)	−0.006 (5)

Geometric parameters (Å, º)

I305—Zn33	2.572 (6)	C327—C331	1.38 (2)
I306—Zn33	2.511 (6)	C315—H315	0.9500
I401—Zn41	2.581 (10)	C315—C314	1.375 (16)
I402—Zn41	2.495 (9)	C305—H305	0.9500
I403—Zn42	2.517 (6)	C305—C304	1.360 (17)
Zn33—N306	2.082 (9)	C306—C303	1.444 (18)
Zn33—N307	2.098 (11)	C303—C304	1.426 (18)
I404—Zn42	2.526 (6)	C303—C302	1.364 (19)
Zn41—N301	2.084 (12)	C314—H314	0.9500
Zn41—N00I^i	2.146 (15)	C309—C310	1.387 (18)
Zn42—N305	2.167 (13)	C309—C313	1.41 (2)
Zn42—N311^ii	2.052 (19)	C328—H328	0.9500
N302—C308	1.322 (14)	C328—C329	1.45 (2)
N302—C306	1.331 (15)	C329—H329	0.9500
N306—C314	1.314 (13)	C304—H304	0.9500
N306—C318	1.41 (2)	C302—H302	0.9500
N306—Zn53	2.38 (3)	C302—C301	1.404 (15)
N306—Zn43	2.070 (12)	C301—H301	0.9500
N303—C307	1.382 (16)	C318—H318	0.9500
N303—C306	1.332 (17)	C318—C317	1.32 (2)
N310—C325	1.323 (19)	N311—C332	1.31 (3)
N310—C326	1.295 (18)	N311—C336	1.35 (3)
N309—C325	1.334 (16)	N311—Zn32^iv	2.01 (2)
N309—C324	1.37 (2)	N311—Zn52^iv	2.06 (7)
N304—C307	1.236 (17)	C312—H312	0.9500
N304—C308	1.388 (15)	C312—C313	1.30 (3)
N307—C319	1.31 (2)	C317—H317	0.9500
N307—C323	1.36 (2)	C334—C335	1.37 (3)
N307—Zn53	1.98 (3)	C334—C333	1.33 (3)
N307—Zn43	2.083 (15)	C323—H323	0.9500
N301—C305	1.210 (18)	C323—C322	1.40 (3)
N301—C301	1.385 (19)	C311—H311	0.9500
N301—Zn31	2.060 (13)	C311—C310	1.40 (2)
N301—Zn51	2.220 (19)	C310—H310	0.9500
N00I—C329	1.31 (2)	C335—H335	0.9500
N00I—Zn31^iii	1.860 (15)	C335—C336	1.37 (4)
N00I—Zn51^iii	2.50 (2)	C313—H313	0.9500
N00I—C330	1.35 (4)	C322—H322	0.9500
C325—C327	1.511 (19)	C333—H333	0.9500
N308—C326	1.364 (17)	C333—C332	1.28 (3)
N308—C324	1.29 (2)	C332—H332	0.9500
C319—H319	0.9500	C336—H336	0.9500
C319—C320	1.41 (2)	C331—H331	0.9500
C321—C320	1.32 (2)	C331—C330	1.34 (4)
C321—C324	1.49 (2)	I303—Zn32	2.485 (13)
C321—C322	1.44 (2)	Zn32—I304	2.550 (15)
C307—C309	1.463 (15)	I503—Zn52	2.85 (7)
N305—C312	1.27 (3)	I504—Zn52	2.21 (8)
N305—C311	1.29 (3)	Zn31—I301	2.596 (11)
N305—Zn32	2.159 (16)	Zn31—I302	2.518 (13)
N305—Zn52	2.14 (8)	I501—Zn51	2.432 (17)
C320—H320	0.9500	Zn51—I502	2.427 (17)
C308—C316	1.434 (16)	C330—H330	0.9500
C316—C315	1.384 (18)	I505—Zn53	2.97 (4)
C316—C317	1.355 (17)	I506—Zn53	2.37 (4)
C326—C334	1.43 (2)	I406—Zn43	2.516 (12)
C327—C328	1.33 (2)	Zn43—I405	2.547 (13)
I306—Zn33—I305	128.9 (2)	C313—C309—C307	119.5 (12)
N306—Zn33—I305	101.4 (4)	C327—C328—H328	119.5
N306—Zn33—I306	110.1 (4)	C327—C328—C329	120.9 (15)
N306—Zn33—N307	97.4 (5)	C329—C328—H328	119.5
N307—Zn33—I305	105.3 (4)	N00I—C329—C328	118.6 (19)
N307—Zn33—I306	109.2 (4)	N00I—C329—H329	120.7
I402—Zn41—I401	126.5 (6)	C328—C329—H329	120.7
N301—Zn41—I401	106.3 (6)	C305—C304—C303	114.9 (12)
N301—Zn41—I402	107.4 (6)	C305—C304—H304	122.6
N301—Zn41—N00I^i	98.0 (6)	C303—C304—H304	122.6
N00I^i—Zn41—I401	111.5 (6)	C303—C302—H302	119.4
N00I^i—Zn41—I402	103.5 (7)	C303—C302—C301	121.1 (13)
I403—Zn42—I404	121.9 (2)	C301—C302—H302	119.4
N305—Zn42—I403	107.3 (5)	N301—C301—C302	119.3 (13)
N305—Zn42—I404	110.1 (6)	N301—C301—H301	120.4
N311^ii—Zn42—I403	99.5 (7)	C302—C301—H301	120.4
N311^ii—Zn42—I404	115.2 (8)	N309—C324—C321	114.1 (16)
N311^ii—Zn42—N305	100.3 (7)	N308—C324—N309	127.5 (13)
C308—N302—C306	119.8 (10)	N308—C324—C321	118.2 (14)
C314—N306—Zn33	121.2 (8)	N306—C318—H318	120.4
C314—N306—C318	117.0 (9)	C317—C318—N306	119.2 (10)
C314—N306—Zn53	115.8 (12)	C317—C318—H318	120.4
C314—N306—Zn43	124.7 (8)	C332—N311—Zn42^iv	132.4 (17)
C318—N306—Zn33	121.3 (7)	C332—N311—C336	111 (2)
C318—N306—Zn53	122.6 (11)	C332—N311—Zn32^iv	119.4 (18)
C318—N306—Zn43	116.7 (7)	C332—N311—Zn52^iv	118 (3)
C306—N303—C307	115.9 (10)	C336—N311—Zn42^iv	113.7 (18)
C326—N310—C325	116.4 (12)	C336—N311—Zn32^iv	129.5 (16)
C325—N309—C324	112.3 (13)	C336—N311—Zn52^iv	131 (3)
C307—N304—C308	118.7 (9)	N305—C312—H312	115.0
C319—N307—Zn33	126.4 (12)	N305—C312—C313	130 (2)
C319—N307—C323	118.0 (12)	C313—C312—H312	115.0
C319—N307—Zn53	157.3 (15)	C316—C317—H317	117.6
C319—N307—Zn43	119.6 (12)	C318—C317—C316	124.7 (15)
C323—N307—Zn33	114.9 (9)	C318—C317—H317	117.6
C323—N307—Zn53	83.8 (13)	C335—C334—C326	121.8 (16)
C323—N307—Zn43	121.4 (10)	C333—C334—C326	126.5 (17)
C305—N301—Zn41	123.3 (10)	C333—C334—C335	112 (2)
C305—N301—C301	116.0 (11)	N307—C323—H323	117.5
C305—N301—Zn31	131.7 (10)	N307—C323—C322	125.0 (16)
C305—N301—Zn51	128.3 (11)	C322—C323—H323	117.5
C301—N301—Zn41	119.4 (9)	N305—C311—H311	121.8
C301—N301—Zn31	111.8 (9)	N305—C311—C310	116.5 (18)
C301—N301—Zn51	106.6 (11)	C310—C311—H311	121.8
Zn41^iii—N00I—Zn51^iii	17.1 (4)	C309—C310—C311	122.9 (17)
C329—N00I—Zn41^iii	123.9 (16)	C309—C310—H310	118.5
C329—N00I—Zn31^iii	121.8 (17)	C311—C310—H310	118.5
C329—N00I—Zn51^iii	107.6 (15)	C334—C335—H335	119.2
C329—N00I—C330	119.6 (14)	C334—C335—C336	121.6 (17)
Zn31^iii—N00I—Zn51^iii	14.3 (7)	C336—C335—H335	119.2
C330—N00I—Zn41^iii	116.4 (12)	C309—C313—H313	122.7
C330—N00I—Zn31^iii	118.5 (13)	C312—C313—C309	114.6 (19)
C330—N00I—Zn51^iii	132.7 (11)	C312—C313—H313	122.7
N310—C325—N309	125.2 (12)	C321—C322—H322	123.7
N310—C325—C327	121.1 (11)	C323—C322—C321	113 (2)
N309—C325—C327	113.4 (14)	C323—C322—H322	123.7
C324—N308—C326	113.1 (12)	C334—C333—H333	118.0
N307—C319—H319	119.1	C332—C333—C334	124 (2)
N307—C319—C320	121.8 (15)	C332—C333—H333	118.0
C320—C319—H319	119.1	N311—C332—H332	117.1
C320—C321—C324	124.5 (13)	C333—C332—N311	126 (2)
C320—C321—C322	120.9 (13)	C333—C332—H332	117.1
C322—C321—C324	113.4 (17)	N311—C336—C335	122.5 (17)
N303—C307—C309	117.3 (11)	N311—C336—H336	118.8
N304—C307—N303	123.9 (10)	C335—C336—H336	118.8
N304—C307—C309	118.8 (11)	C327—C331—H331	119.7
C312—N305—Zn42	113.9 (13)	C330—C331—C327	121 (3)
C312—N305—C311	119.9 (15)	C330—C331—H331	119.7
C312—N305—Zn32	134.0 (14)	N305—Zn32—I303	117.2 (7)
C312—N305—Zn52	137 (2)	N305—Zn32—I304	99.1 (7)
C311—N305—Zn42	126.2 (14)	N311^ii—Zn32—N305	102.0 (8)
C311—N305—Zn32	106.1 (14)	N311^ii—Zn32—I303	116.0 (9)
C311—N305—Zn52	103 (2)	N311^ii—Zn32—I304	98.8 (9)
C319—C320—H320	120.0	I303—Zn32—I304	120.3 (5)
C321—C320—C319	120.1 (13)	N305—Zn52—I503	112 (3)
C321—C320—H320	120.0	N305—Zn52—I504	109 (3)
N302—C308—N304	119.1 (10)	N311^ii—Zn52—N305	101 (3)
N302—C308—C316	121.1 (10)	N311^ii—Zn52—I503	105 (3)
N304—C308—C316	119.3 (10)	N311^ii—Zn52—I504	75 (3)
C315—C316—C308	122.0 (10)	I504—Zn52—I503	138 (4)
C317—C316—C308	121.7 (14)	N301—Zn31—I301	104.6 (6)
C317—C316—C315	116.1 (13)	N301—Zn31—I302	103.5 (7)
N310—C326—N308	125.4 (15)	N00I^i—Zn31—N301	108.9 (7)
N310—C326—C334	119.1 (13)	N00I^i—Zn31—I301	106.4 (7)
N308—C326—C334	115.5 (12)	N00I^i—Zn31—I302	111.2 (8)
C328—C327—C325	123.6 (12)	I302—Zn31—I301	121.4 (5)
C328—C327—C331	117.4 (17)	N301—Zn51—N00I^i	84.9 (7)
C331—C327—C325	119 (2)	N301—Zn51—I501	94.6 (8)
C316—C315—H315	120.4	N301—Zn51—I502	118.6 (8)
C314—C315—C316	119.1 (10)	I502—Zn51—I501	139.3 (11)
C314—C315—H315	120.4	N00I—C330—H330	118.8
N301—C305—H305	114.4	C331—C330—N00I	122 (2)
N301—C305—C304	131.2 (14)	C331—C330—H330	118.8
C304—C305—H305	114.4	N306—Zn53—I505	75.9 (10)
N302—C306—N303	121.6 (10)	N307—Zn53—N306	91.9 (13)
N302—C306—C303	118.4 (11)	N307—Zn53—I505	79.3 (11)
N303—C306—C303	120.0 (11)	N307—Zn53—I506	142.3 (16)
C304—C303—C306	120.1 (11)	I506—Zn53—N306	121.2 (13)
C302—C303—C306	123.2 (11)	I506—Zn53—I505	123.2 (14)
C302—C303—C304	116.7 (11)	N306—Zn43—N307	98.3 (6)
N306—C314—C315	123.8 (11)	N306—Zn43—I406	104.8 (6)
N306—C314—H314	118.1	N306—Zn43—I405	111.7 (7)
C315—C314—H314	118.1	N307—Zn43—I406	106.7 (7)
C310—C309—C307	124.8 (13)	N307—Zn43—I405	109.3 (6)
C310—C309—C313	115.7 (14)	I406—Zn43—I405	123.1 (5)
Zn33—N306—C314—C315	172.3 (15)	C326—C334—C333—C332	−173 (3)
Zn33—N306—C318—C317	−171 (2)	C327—C328—C329—N00I	−8 (2)
Zn33—N307—C319—C320	−167.7 (9)	C327—C331—C330—N00I	4 (6)
Zn33—N307—C323—C322	163 (2)	C315—C316—C317—C318	−1 (4)
Zn41—N301—C305—C304	−178 (2)	C305—N301—C301—C302	9 (3)
Zn41—N301—C301—C302	176.4 (16)	C306—N302—C308—N304	5 (2)
Zn41^iii—N00I—C329—C328	−175.9 (11)	C306—N302—C308—C316	177.8 (14)
Zn41^iii—N00I—C330—C331	178 (3)	C306—N303—C307—N304	−7 (3)
Zn42—N305—C312—C313	174 (3)	C306—N303—C307—C309	175.2 (14)
Zn42—N305—C311—C310	−179.2 (18)	C306—C303—C304—C305	179.8 (18)
Zn42^iv—N311—C332—C333	177 (3)	C306—C303—C302—C301	179.5 (18)
Zn42^iv—N311—C336—C335	−166 (2)	C303—C302—C301—N301	−4 (3)
N302—C308—C316—C315	9 (2)	C314—N306—C318—C317	1 (3)
N302—C308—C316—C317	−176 (2)	C328—C327—C331—C330	−5 (5)
N302—C306—C303—C304	−3 (2)	C329—N00I—C330—C331	−5 (5)
N302—C306—C303—C302	177.5 (17)	C304—C303—C302—C301	0 (3)
N306—C318—C317—C316	−1 (4)	C302—C303—C304—C305	−1 (3)
N303—C307—C309—C310	−7 (3)	C301—N301—C305—C304	−11 (4)
N303—C307—C309—C313	175.3 (18)	C324—N309—C325—N310	−0.7 (16)
N303—C306—C303—C304	178.8 (17)	C324—N309—C325—C327	−174.6 (10)
N303—C306—C303—C302	−1 (3)	C324—N308—C326—N310	2.3 (17)
N310—C325—C327—C328	165.2 (12)	C324—N308—C326—C334	−178.9 (11)
N310—C325—C327—C331	−19 (3)	C324—C321—C320—C319	175.4 (11)
N310—C326—C334—C335	14 (2)	C324—C321—C322—C323	178.5 (19)
N310—C326—C334—C333	−163.8 (19)	C318—N306—C314—C315	0 (3)
N309—C325—C327—C328	−20.6 (17)	C312—N305—C311—C310	1 (4)
N309—C325—C327—C331	156 (2)	C317—C316—C315—C314	2 (3)
N304—C307—C309—C310	175 (2)	C334—C335—C336—N311	−9 (4)
N304—C307—C309—C313	−2 (3)	C334—C333—C332—N311	−23 (5)
N304—C308—C316—C315	−178.8 (15)	C323—N307—C319—C320	2 (2)
N304—C308—C316—C317	−3 (3)	C311—N305—C312—C313	−6 (5)
N307—C319—C320—C321	−2.8 (18)	C310—C309—C313—C312	−5 (3)
N307—C323—C322—C321	14 (4)	C335—C334—C333—C332	9 (4)
N301—C305—C304—C303	7 (4)	C313—C309—C310—C311	2 (3)
C325—N310—C326—N308	−3.6 (18)	C322—C321—C320—C319	9 (2)
C325—N310—C326—C334	177.7 (11)	C322—C321—C324—N309	169.1 (16)
C325—N309—C324—N308	−0.7 (17)	C322—C321—C324—N308	−15 (2)
C325—N309—C324—C321	174.6 (10)	C333—C334—C335—C336	5 (3)
C325—C327—C328—C329	−176.8 (12)	C332—N311—C336—C335	−2 (4)
C325—C327—C331—C330	179 (3)	C336—N311—C332—C333	17 (5)
N308—C326—C334—C335	−164.9 (15)	C331—C327—C328—C329	7 (3)
N308—C326—C334—C333	17 (2)	Zn32—N305—C312—C313	173 (3)
C319—N307—C323—C322	−8 (3)	Zn32—N305—C311—C310	−178 (2)
C307—N303—C306—N302	0 (2)	Zn32^iv—N311—C332—C333	−162 (3)
C307—N303—C306—C303	178.3 (15)	Zn32^iv—N311—C336—C335	177.3 (19)
C307—N304—C308—N302	−12 (2)	Zn52—N305—C312—C313	174 (3)
C307—N304—C308—C316	175.6 (15)	Zn52—N305—C311—C310	−178 (3)
C307—C309—C310—C311	−176 (2)	Zn52^iv—N311—C332—C333	−159 (4)
C307—C309—C313—C312	172 (2)	Zn52^iv—N311—C336—C335	174 (3)
N305—C312—C313—C309	8 (5)	Zn31—N301—C305—C304	178 (2)
N305—C311—C310—C309	0 (4)	Zn31—N301—C301—C302	−178.3 (17)
C320—C321—C324—N309	1.8 (17)	Zn31^iii—N00I—C329—C328	−171.5 (11)
C320—C321—C324—N308	177.5 (11)	Zn31^iii—N00I—C330—C331	173 (3)
C320—C321—C322—C323	−14 (3)	Zn51—N301—C305—C304	−153 (2)
C308—N302—C306—N303	0 (2)	Zn51—N301—C301—C302	158.9 (17)
C308—N302—C306—C303	−177.8 (14)	Zn51^iii—N00I—C329—C328	−170.2 (12)
C308—N304—C307—N303	13 (3)	Zn51^iii—N00I—C330—C331	171 (3)
C308—N304—C307—C309	−169.8 (14)	C330—N00I—C329—C328	6 (3)
C308—C316—C315—C314	177.4 (16)	Zn53—N306—C314—C315	−156.8 (18)
C308—C316—C317—C318	−176 (2)	Zn53—N306—C318—C317	156 (2)
C316—C315—C314—N306	−1 (3)	Zn53—N307—C319—C320	−161 (3)
C326—N310—C325—N309	2.7 (17)	Zn53—N307—C323—C322	165 (3)
C326—N310—C325—C327	176.1 (11)	Zn43—N306—C314—C315	165.3 (15)
C326—N308—C324—N309	0.0 (17)	Zn43—N306—C318—C317	−166 (2)
C326—N308—C324—C321	−175.1 (10)	Zn43—N307—C319—C320	−167.2 (9)
C326—C334—C335—C336	−172.7 (19)	Zn43—N307—C323—C322	161 (2)

Symmetry codes: (i) x+1/2, −y+1/2, z+1/2; (ii) x, −y, z+1/2; (iii) x−1/2, −y+1/2, z−1/2; (iv) x, −y, z−1/2.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (50_10_96a)

Crystal data

C72H48I12N24Zn6·0.915(C15H16O3)·1.065(C6H12)	F(000) = 6536
Mr = 3477.60	Dx = 1.445 Mg m^−3
Monoclinic, P2/n	Cu Kα radiation, λ = 1.54184 Å
a = 31.6878 (7) Å	Cell parameters from 25249 reflections
b = 14.9984 (3) Å	θ = 2.6–72.7°
c = 34.4068 (8) Å	µ = 19.51 mm^−1
β = 102.171 (2)°	T = 100 K
V = 15984.8 (6) Å^3	Block, light yellow
Z = 4	0.23 × 0.17 × 0.07 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	29217 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	22340 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.048
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.1°
profile data from ω–scans	h = −38→38
Absorption correction: analytical CrysAlisPro 1.171.41.89a (Rigaku Oxford Diffraction, 2020) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −7→18
Tmin = 0.096, Tmax = 0.341	l = −41→41
136060 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.087	H-atom parameters constrained
wR(F^2) = 0.269	w = 1/[σ^2(Fo^2) + (0.1174P)^2 + 120.3981P] where P = (Fo^2 + 2Fc^2)/3
S = 1.10	(Δ/σ)max = 0.001
29217 reflections	Δρmax = 1.51 e Å^−3
1640 parameters	Δρmin = −0.88 e Å^−3
803 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). Exchange site B was located over a two-fold symmetry axis and was modelled in PART -1. Multiple solvent molecules were located over two-fold symmetry sites or were determined to have a low occupancy, these were modelled isotropic to prevent over-expansion of thermal ellipsoids. During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I411	0.4210 (12)	0.0094 (11)	0.1414 (9)	0.114 (6)	0.31 (4)
I305	0.1213 (3)	−0.3839 (6)	0.2606 (3)	0.120 (3)	0.54 (2)
I407	0.2224 (3)	0.4548 (4)	0.4072 (4)	0.215 (6)	0.382 (14)
I408	0.3303 (4)	0.4566 (6)	0.5067 (3)	0.239 (7)	0.382 (14)
I302	0.29639 (7)	−0.01957 (14)	0.99054 (8)	0.0709 (8)	0.611 (10)
I304	0.3931 (3)	−0.4862 (4)	0.6384 (2)	0.190 (5)	0.57 (2)
I306	0.0681 (3)	−0.4774 (6)	0.3646 (4)	0.171 (3)	0.54 (2)
I303	0.4982 (3)	−0.3443 (8)	0.59997 (19)	0.173 (4)	0.57 (2)
I409	0.6426 (2)	0.8982 (5)	0.27325 (19)	0.066 (2)	0.274 (15)
I412	0.5135 (5)	0.182 (2)	0.0987 (8)	0.161 (6)	0.31 (4)
I301	0.19976 (7)	−0.09508 (15)	0.88333 (8)	0.0852 (9)	0.611 (10)
I410	0.56756 (19)	0.9985 (4)	0.36191 (16)	0.065 (2)	0.274 (15)
Zn33	0.0921 (3)	−0.3570 (8)	0.3247 (4)	0.099 (4)	0.54 (2)
Zn32	0.4286 (3)	−0.3488 (4)	0.6228 (3)	0.085 (4)	0.57 (2)
Zn46	0.4477 (10)	0.162 (2)	0.1245 (10)	0.081 (7)	0.31 (4)
Zn45	0.6040 (5)	0.8822 (12)	0.3302 (5)	0.048 (3)	0.274 (15)
Zn44	0.2951 (5)	0.4016 (6)	0.4390 (4)	0.141 (6)	0.382 (14)
Zn31	0.27312 (14)	−0.1135 (4)	0.92860 (16)	0.0594 (10)	0.611 (10)
N308	0.2708 (2)	−0.1891 (4)	0.4618 (2)	0.0487 (18)
N316	0.4822 (3)	0.4826 (5)	0.2792 (2)	0.054 (2)
N309	0.3104 (3)	−0.0569 (5)	0.4795 (2)	0.054 (2)
N310	0.2517 (2)	−0.0586 (5)	0.4240 (2)	0.0491 (18)
N304	0.4630 (3)	−0.0246 (5)	0.7720 (2)	0.058 (2)
N320	0.2753 (3)	0.2987 (5)	−0.0214 (3)	0.061 (2)
N305	0.5437 (3)	0.2555 (6)	0.8140 (3)	0.066 (3)
N311	0.2915 (3)	0.2650 (5)	0.4412 (3)	0.066 (2)
N314	0.4262 (3)	0.4007 (6)	0.2984 (2)	0.057 (2)
N312	0.1407 (3)	−0.2832 (5)	0.3618 (3)	0.066 (3)
N315	0.4517 (3)	0.5332 (5)	0.3327 (3)	0.059 (2)
N321	0.3109 (3)	0.4376 (5)	−0.0050 (3)	0.062 (2)
N322	0.2542 (3)	0.4253 (6)	−0.0617 (3)	0.064 (2)
N303	0.4331 (3)	0.0238 (6)	0.8259 (3)	0.063 (2)
N307	0.3849 (3)	−0.2794 (5)	0.5786 (3)	0.070 (3)
N318	0.4537 (3)	0.2328 (6)	0.1805 (3)	0.063 (2)
N323	0.2803 (4)	0.7518 (6)	−0.0563 (3)	0.075 (3)
N313	0.3404 (4)	0.4210 (6)	0.4039 (3)	0.074 (3)
C324	0.3028 (3)	−0.1418 (5)	0.4845 (3)	0.047 (2)
C325	0.2467 (3)	−0.1430 (5)	0.4323 (3)	0.044 (2)
C352	0.4550 (3)	0.3492 (6)	0.2431 (3)	0.053 (2)
N319	0.3966 (3)	0.2197 (6)	0.0914 (3)	0.075 (3)
N306	0.4327 (3)	−0.2668 (6)	0.6706 (3)	0.066 (2)
N324	0.1497 (3)	0.1947 (5)	−0.1266 (3)	0.074 (3)
N317	0.5584 (3)	0.7715 (7)	0.3189 (3)	0.075 (3)
C327	0.2099 (3)	−0.1934 (5)	0.4067 (3)	0.051 (2)
C334	0.2863 (3)	0.0817 (6)	0.4459 (3)	0.050 (2)
C326	0.2827 (3)	−0.0175 (6)	0.4497 (3)	0.050 (2)
C343	0.4782 (3)	0.5409 (6)	0.3077 (3)	0.059 (3)
N302	0.4067 (4)	−0.1064 (6)	0.7905 (3)	0.075 (3)
C321	0.3316 (3)	−0.1915 (6)	0.5164 (3)	0.055 (2)
C344	0.4542 (3)	0.4141 (6)	0.2757 (3)	0.051 (2)
C309	0.4874 (3)	0.1128 (6)	0.8044 (3)	0.057 (3)
C307	0.4594 (3)	0.0317 (7)	0.8010 (3)	0.056 (2)
C345	0.5055 (3)	0.6229 (6)	0.3108 (3)	0.060 (3)
C360	0.3056 (3)	0.3507 (6)	0.0002 (3)	0.059 (3)
C308	0.4351 (4)	−0.0933 (7)	0.7682 (3)	0.061 (3)
C357	0.3361 (4)	0.3040 (6)	0.0332 (3)	0.063 (3)
C320	0.3230 (4)	−0.2763 (6)	0.5262 (3)	0.061 (3)
H320	0.298384	−0.306568	0.511509	0.073*
N301	0.3211 (5)	−0.0935 (7)	0.8965 (4)	0.092 (4)
C313	0.5097 (4)	0.1354 (6)	0.7754 (3)	0.061 (3)
H313	0.505778	0.101409	0.751636	0.073*
O3A	0.3901 (4)	0.0724 (7)	0.2654 (4)	0.085 (3)	0.7412
C316	0.4353 (4)	−0.1535 (7)	0.7352 (3)	0.061 (3)
C362	0.2504 (3)	0.3390 (6)	−0.0522 (3)	0.059 (3)
C339	0.3968 (4)	0.4483 (7)	0.3535 (3)	0.062 (3)
O2A	0.2537 (4)	0.0297 (7)	0.1846 (3)	0.084 (3)	0.7412
C351	0.4307 (3)	0.2734 (7)	0.2400 (3)	0.062 (3)
H351	0.414060	0.259850	0.259218	0.075*
C335	0.2645 (3)	0.1276 (7)	0.4130 (3)	0.063 (3)
H335	0.247233	0.096327	0.391405	0.076*
C331	0.1826 (4)	−0.1510 (7)	0.3756 (3)	0.068 (3)
H331	0.187131	−0.090281	0.369694	0.082*
C328	0.2014 (3)	−0.2797 (6)	0.4148 (4)	0.070 (3)
H328	0.219564	−0.309562	0.436351	0.084*
C349	0.5313 (4)	0.6414 (7)	0.2843 (4)	0.069 (3)
H349	0.531309	0.603049	0.262328	0.083*
C363	0.2833 (3)	0.5693 (7)	−0.0429 (3)	0.059 (2)
C342	0.4270 (3)	0.4618 (7)	0.3270 (3)	0.059 (3)
C370	0.2152 (4)	0.2868 (7)	−0.0778 (3)	0.065 (3)
C350	0.4309 (4)	0.2161 (8)	0.2082 (4)	0.072 (3)
H350	0.414134	0.163126	0.206104	0.086*
C306	0.4074 (4)	−0.0478 (8)	0.8197 (3)	0.070 (3)
C336	0.2680 (4)	0.2194 (6)	0.4117 (3)	0.066 (3)
H336	0.253142	0.250405	0.388787	0.079*
C333	0.3123 (4)	0.1309 (6)	0.4754 (3)	0.069 (3)
H333	0.329458	0.101889	0.497767	0.083*
C329	0.1671 (4)	−0.3237 (7)	0.3921 (4)	0.075 (4)
H329	0.161855	−0.384032	0.397964	0.090*
C319	0.3495 (4)	−0.3179 (7)	0.5572 (3)	0.068 (3)
H319	0.342586	−0.376777	0.563904	0.082*
C361	0.2835 (4)	0.4723 (6)	−0.0358 (3)	0.059 (3)
C348	0.5575 (4)	0.7170 (8)	0.2901 (4)	0.074 (3)
H348	0.575567	0.728516	0.271889	0.089*
C353	0.4808 (5)	0.3627 (9)	0.2165 (4)	0.081 (4)
H353	0.499759	0.412427	0.219359	0.097*
C312	0.5371 (3)	0.2054 (7)	0.7807 (3)	0.064 (3)
H312	0.552210	0.219747	0.760402	0.077*
C303	0.3772 (4)	−0.0626 (8)	0.8475 (4)	0.075 (3)
C358	0.3330 (4)	0.2170 (7)	0.0405 (4)	0.080 (4)
H358	0.309909	0.183709	0.025145	0.096*
C369	0.2087 (4)	0.1987 (7)	−0.0713 (4)	0.073 (3)
H369	0.226694	0.168203	−0.049839	0.088*
C317	0.4670 (4)	−0.1596 (9)	0.7165 (4)	0.085 (4)
H317	0.492083	−0.124388	0.725353	0.102*
C330	0.1483 (4)	−0.1991 (7)	0.3528 (4)	0.074 (3)
H330	0.130157	−0.171389	0.330607	0.088*
O1A	0.2912 (4)	0.2408 (9)	0.3066 (4)	0.098 (4)	0.7412
H1AA	0.266051	0.224064	0.307237	0.147*	0.7412
C332	0.3131 (4)	0.2212 (7)	0.4724 (4)	0.080 (4)
H332	0.330093	0.254294	0.493620	0.096*
C322	0.3673 (4)	−0.1492 (7)	0.5396 (4)	0.088 (5)
H322	0.373383	−0.088484	0.535026	0.105*
C340	0.3617 (5)	0.3941 (9)	0.3426 (4)	0.085 (4)
H340	0.356193	0.364829	0.317567	0.102*
C4A	0.3198 (5)	0.1448 (7)	0.2158 (4)	0.060 (3)	0.7412
C310	0.4930 (4)	0.1660 (8)	0.8377 (4)	0.077 (3)
H310	0.477631	0.153810	0.858011	0.092*
C367	0.2585 (5)	0.6049 (7)	−0.0765 (4)	0.084 (4)
H367	0.241704	0.567178	−0.095953	0.101*
C3A	0.3241 (4)	0.1719 (7)	0.1783 (4)	0.062 (4)	0.7412
H3A	0.327790	0.128679	0.159078	0.074*	0.7412
C354	0.4791 (5)	0.3029 (8)	0.1851 (4)	0.078 (3)
H354	0.496909	0.313248	0.166500	0.094*
C356	0.3693 (4)	0.3525 (7)	0.0559 (4)	0.084 (4)
H356	0.371810	0.415062	0.052515	0.101*
C355	0.3995 (4)	0.3044 (7)	0.0843 (4)	0.088 (5)
H355	0.423450	0.336118	0.099313	0.106*
C359	0.3625 (4)	0.1742 (8)	0.0698 (4)	0.079 (4)
H359	0.359002	0.112652	0.074894	0.095*
C337	0.3749 (5)	0.4728 (9)	0.4145 (4)	0.082 (4)
H337	0.380193	0.500133	0.439941	0.098*
C323	0.3938 (4)	−0.1975 (7)	0.5695 (4)	0.092 (5)
H323	0.419474	−0.170264	0.583876	0.110*
C311	0.5210 (5)	0.2370 (8)	0.8413 (4)	0.083 (4)
H311	0.524148	0.274125	0.864131	0.100*
C364	0.3071 (4)	0.6275 (7)	−0.0162 (4)	0.074 (3)
H364	0.325192	0.605682	0.007494	0.089*
C365	0.3047 (4)	0.7193 (8)	−0.0240 (4)	0.079 (3)
H365	0.321332	0.759004	−0.005364	0.095*
C338	0.4033 (5)	0.4887 (10)	0.3900 (4)	0.084 (4)
H338	0.427189	0.527388	0.398427	0.100*
C366	0.2578 (5)	0.6963 (9)	−0.0821 (4)	0.090 (4)
H366	0.240380	0.719835	−0.105785	0.108*
C368	0.1754 (4)	0.1543 (8)	−0.0964 (4)	0.080 (4)
H368	0.170875	0.092903	−0.091809	0.096*
C7A	0.3227 (4)	0.0468 (7)	0.2258 (4)	0.068 (4)	0.7412
C318	0.4653 (4)	−0.2168 (9)	0.6836 (4)	0.087 (4)
H318	0.489002	−0.218100	0.670687	0.104*
C341	0.3337 (5)	0.3820 (9)	0.3689 (4)	0.091 (4)
H341	0.309135	0.344601	0.361189	0.110*
C5A	0.3140 (5)	0.2078 (8)	0.2442 (4)	0.076 (4)	0.7412
C1A	0.3174 (5)	0.3245 (9)	0.1965 (5)	0.080 (5)	0.7412
H1A	0.316579	0.386147	0.190014	0.097*	0.7412
C302	0.3825 (6)	−0.0195 (10)	0.8826 (5)	0.100 (5)
H302	0.404811	0.023465	0.890012	0.120*
C346	0.5044 (5)	0.6831 (10)	0.3403 (5)	0.100 (5)
H346	0.485003	0.676481	0.357716	0.119*
C2A	0.3231 (5)	0.2617 (8)	0.1686 (5)	0.078 (5)	0.7412
H2A	0.326359	0.279990	0.143005	0.094*	0.7412
C301	0.3548 (6)	−0.0392 (12)	0.9076 (5)	0.106 (5)
H301	0.360016	−0.013298	0.933321	0.128*
C8A	0.2893 (5)	−0.0096 (7)	0.2083 (4)	0.073 (4)	0.7412
C372	0.1567 (5)	0.2776 (8)	−0.1321 (5)	0.113 (6)
H372	0.138210	0.306069	−0.153882	0.135*
C6A	0.3130 (5)	0.2978 (8)	0.2337 (5)	0.085 (5)	0.7412
H6A	0.309089	0.341454	0.252681	0.102*	0.7412
C371	0.1892 (5)	0.3300 (7)	−0.1090 (4)	0.105 (6)
H371	0.192919	0.391233	−0.114593	0.126*
C12A	0.3589 (4)	0.0117 (8)	0.2502 (5)	0.073 (4)	0.7412
C347	0.5335 (6)	0.7563 (9)	0.3439 (6)	0.112 (6)
H347	0.534894	0.796168	0.365564	0.134*
C305	0.3166 (7)	−0.1353 (12)	0.8635 (5)	0.118 (6)
H305	0.293773	−0.177340	0.856637	0.142*
C304	0.3440 (6)	−0.1214 (12)	0.8369 (5)	0.120 (7)
H304	0.339627	−0.152213	0.812235	0.145*
C10A	0.3290 (6)	−0.1336 (9)	0.2411 (5)	0.100 (6)	0.7412
H10A	0.330915	−0.195716	0.246624	0.120*	0.7412
C11A	0.3624 (6)	−0.0788 (9)	0.2574 (5)	0.096 (6)	0.7412
H11A	0.387939	−0.102738	0.273577	0.115*	0.7412
C14A	0.2166 (7)	−0.0247 (14)	0.1689 (6)	0.104 (7)	0.7412
H14A	0.224318	−0.069380	0.150820	0.156*	0.7412
H14B	0.193247	0.012934	0.154451	0.156*	0.7412
H14C	0.207069	−0.054799	0.190851	0.156*	0.7412
C13A	0.3109 (7)	0.1773 (11)	0.2854 (5)	0.095 (5)	0.7412
H13A	0.294051	0.121217	0.283054	0.113*	0.7412
H13B	0.340285	0.164134	0.300779	0.113*	0.7412
C9A	0.2927 (6)	−0.0995 (9)	0.2170 (5)	0.098 (6)	0.7412
H9A	0.269491	−0.138238	0.206025	0.118*	0.7412
C315	0.3955 (6)	−0.1989 (14)	0.7167 (6)	0.092 (5)	0.726 (16)
H315	0.370137	−0.192106	0.727019	0.110*	0.726 (16)
C314	0.3951 (6)	−0.2513 (14)	0.6843 (6)	0.092 (5)	0.726 (16)
H314	0.368772	−0.277594	0.670875	0.110*	0.726 (16)
C15A	0.4287 (6)	0.0376 (16)	0.2905 (9)	0.137 (10)	0.7412
H15A	0.444489	0.001540	0.274457	0.206*	0.7412
H15B	0.421058	0.000363	0.311359	0.206*	0.7412
H15C	0.447024	0.087062	0.302669	0.206*	0.7412
I311	0.4111 (2)	0.0053 (5)	0.1479 (2)	0.0842 (11)	0.69 (4)
Zn36	0.4449 (3)	0.1506 (8)	0.1328 (4)	0.0611 (16)	0.69 (4)
I312	0.51272 (13)	0.1659 (5)	0.10449 (17)	0.1049 (17)	0.69 (4)
I406	0.06262 (13)	−0.4620 (3)	0.3737 (2)	0.0871 (17)	0.46 (2)
Zn43	0.0901 (3)	−0.3506 (8)	0.3267 (4)	0.064 (3)	0.46 (2)
I405	0.1143 (3)	−0.3931 (5)	0.2661 (3)	0.0841 (17)	0.46 (2)
Zn35	0.6024 (3)	0.8694 (6)	0.3343 (3)	0.102 (3)	0.726 (15)
I310	0.56707 (14)	0.9845 (4)	0.3732 (3)	0.187 (2)	0.726 (15)
I309	0.6328 (2)	0.9004 (3)	0.27424 (14)	0.1508 (19)	0.726 (15)
I402	0.3197 (6)	−0.0335 (5)	1.0072 (4)	0.186 (6)	0.389 (10)
Zn41	0.2891 (6)	−0.1090 (7)	0.9420 (5)	0.135 (5)	0.389 (10)
I401	0.2153 (5)	−0.0658 (7)	0.9019 (5)	0.225 (6)	0.389 (10)
Zn42	0.4293 (3)	−0.3457 (7)	0.6204 (4)	0.070 (4)	0.43 (2)
I403	0.50107 (16)	−0.3282 (5)	0.6000 (2)	0.090 (2)	0.43 (2)
I404	0.39554 (13)	−0.4969 (4)	0.63538 (14)	0.079 (2)	0.43 (2)
Zn34	0.29621 (14)	0.4047 (3)	0.43928 (14)	0.0603 (14)	0.618 (14)
I308	0.32886 (8)	0.46497 (19)	0.50771 (7)	0.0829 (11)	0.618 (14)
I307	0.22447 (7)	0.46378 (16)	0.40007 (10)	0.0795 (10)	0.618 (14)
C415	0.4238 (16)	−0.2470 (17)	0.7370 (9)	0.092 (5)	0.274 (16)
H415	0.417512	−0.270933	0.760755	0.110*	0.274 (16)
C414	0.4221 (16)	−0.300 (2)	0.7047 (8)	0.092 (5)	0.274 (16)
H414	0.413518	−0.360615	0.705597	0.110*	0.274 (16)
C4B	0.2640 (13)	−0.243 (2)	0.7434 (10)	0.100 (12)	0.174
C3B	0.2716 (15)	−0.160 (2)	0.7285 (13)	0.100 (14)	0.174
H3B	0.289118	−0.155213	0.709274	0.120*	0.174
C2B	0.254 (2)	−0.084 (2)	0.7416 (19)	0.104 (15)	0.174
H2B	0.258905	−0.027359	0.731323	0.125*	0.174
C1B	0.2281 (19)	−0.091 (3)	0.7696 (19)	0.106 (16)	0.174
H1B	0.215842	−0.039487	0.778588	0.127*	0.174
C6B	0.2205 (15)	−0.175 (3)	0.7846 (14)	0.106 (14)	0.174
H6B	0.202991	−0.179470	0.803805	0.127*	0.174
C5B	0.2384 (13)	−0.250 (3)	0.7715 (10)	0.098 (12)	0.174
O2B	0.2122 (13)	−0.325 (3)	0.6782 (13)	0.095 (11)	0.174
C7B	0.2778 (11)	−0.327 (2)	0.7248 (10)	0.108 (12)	0.174
C8B	0.2484 (11)	−0.371 (3)	0.6954 (9)	0.088 (11)	0.174
C9B	0.2574 (15)	−0.457 (3)	0.6843 (11)	0.094 (13)	0.174
H9B	0.237306	−0.487199	0.664196	0.113*	0.174
C10B	0.2957 (17)	−0.498 (2)	0.7025 (14)	0.102 (14)	0.174
H10B	0.301788	−0.557052	0.694832	0.122*	0.174
C11B	0.3250 (14)	−0.454 (3)	0.7318 (13)	0.105 (14)	0.174
H11B	0.351192	−0.482384	0.744271	0.126*	0.174
C12B	0.3161 (11)	−0.368 (3)	0.7430 (11)	0.107 (13)	0.174
O3B	0.3396 (18)	−0.318 (4)	0.7735 (15)	0.119 (16)	0.174
C809	0.4495 (17)	0.305 (4)	0.5455 (17)	0.19 (2)	0.278
H80A	0.434002	0.290081	0.566760	0.227*	0.278
H80B	0.429180	0.297799	0.519548	0.227*	0.278
C808	0.488 (2)	0.241 (3)	0.5476 (15)	0.18 (2)	0.278
H80C	0.476994	0.179019	0.543328	0.212*	0.278
H80D	0.506833	0.244295	0.574393	0.212*	0.278
C807	0.514 (2)	0.265 (3)	0.5161 (14)	0.17 (2)	0.278
H80E	0.495184	0.256698	0.489273	0.202*	0.278
H80F	0.538721	0.224680	0.518616	0.202*	0.278
C812	0.5294 (16)	0.362 (3)	0.5206 (14)	0.17 (2)	0.278
H81A	0.550074	0.369174	0.546379	0.203*	0.278
H81B	0.544654	0.376665	0.499114	0.203*	0.278
C811	0.491 (2)	0.426 (3)	0.5188 (16)	0.18 (2)	0.278
H81C	0.502232	0.487791	0.523339	0.220*	0.278
H81D	0.472196	0.423205	0.492095	0.220*	0.278
C810	0.466 (2)	0.402 (3)	0.5503 (18)	0.20 (2)	0.278
H81E	0.440582	0.442149	0.547953	0.235*	0.278
H81F	0.484099	0.409395	0.577102	0.235*	0.278
C816	0.4388 (19)	−0.009 (4)	0.433 (3)	0.21 (2)	0.2846
H81G	0.443229	−0.056662	0.414156	0.257*	0.2846
H81H	0.443770	−0.034217	0.459882	0.257*	0.2846
C815	0.4706 (15)	0.068 (5)	0.431 (2)	0.22 (2)	0.2846
H81I	0.466832	0.115095	0.450654	0.258*	0.2846
H81J	0.500678	0.046063	0.438760	0.258*	0.2846
C814	0.4620 (17)	0.108 (6)	0.389 (2)	0.20 (2)	0.2846
H81K	0.464810	0.060178	0.369726	0.240*	0.2846
H81L	0.483526	0.154528	0.387457	0.240*	0.2846
C813	0.4162 (17)	0.147 (5)	0.379 (2)	0.19 (2)	0.2846
H81M	0.417832	0.212404	0.374802	0.231*	0.2846
H81N	0.399677	0.120308	0.354089	0.231*	0.2846
C818	0.3933 (16)	0.129 (4)	0.413 (2)	0.18 (2)	0.2846
H81O	0.363346	0.151729	0.406338	0.221*	0.2846
H81P	0.408587	0.159318	0.437555	0.221*	0.2846
C817	0.3925 (15)	0.028 (4)	0.421 (3)	0.20 (2)	0.2846
H81Q	0.377035	−0.002997	0.396410	0.244*	0.2846
H81R	0.376828	0.015516	0.442258	0.244*	0.2846
C802	0.3713 (9)	−0.271 (3)	0.4238 (7)	0.080*	0.2918
H80G	0.386775	−0.305174	0.447164	0.096*	0.2918
H80H	0.365655	−0.210509	0.432796	0.096*	0.2918
C801	0.3282 (10)	−0.318 (2)	0.4061 (9)	0.080*	0.2918
H80I	0.310069	−0.319158	0.426218	0.096*	0.2918
H80J	0.333842	−0.379734	0.399000	0.096*	0.2918
C806	0.3040 (8)	−0.268 (3)	0.3688 (9)	0.080*	0.2918
H80K	0.277180	−0.300646	0.357045	0.096*	0.2918
H80L	0.295825	−0.207627	0.376292	0.096*	0.2918
C805	0.3325 (9)	−0.260 (3)	0.3378 (7)	0.080*	0.2918
H80M	0.337741	−0.320270	0.328040	0.096*	0.2918
H80N	0.317108	−0.224652	0.314885	0.096*	0.2918
C804	0.3759 (9)	−0.215 (2)	0.3554 (9)	0.080*	0.2918
H80O	0.370901	−0.152910	0.362375	0.096*	0.2918
H80P	0.394050	−0.214962	0.335218	0.096*	0.2918
C803	0.3998 (8)	−0.265 (3)	0.3926 (9)	0.080*	0.2918
H80Q	0.426892	−0.233109	0.404201	0.096*	0.2918
H80R	0.407434	−0.325789	0.385226	0.096*	0.2918
C822	0.4205 (15)	−0.464 (2)	0.8116 (12)	0.080*	0.2109
H82A	0.444808	−0.421820	0.820313	0.096*	0.2109
H82B	0.402464	−0.463367	0.831837	0.096*	0.2109
C821	0.4381 (11)	−0.558 (3)	0.8079 (14)	0.080*	0.2109
H82C	0.458407	−0.556338	0.789691	0.096*	0.2109
H82D	0.454283	−0.577562	0.834333	0.096*	0.2109
C820	0.4021 (15)	−0.625 (2)	0.7924 (13)	0.080*	0.2109
H82E	0.415239	−0.682237	0.787205	0.096*	0.2109
H82F	0.385280	−0.635016	0.813153	0.096*	0.2109
C819	0.3714 (15)	−0.594 (2)	0.7543 (12)	0.080*	0.2109
H81S	0.385983	−0.601630	0.731742	0.096*	0.2109
H81T	0.345677	−0.633278	0.749411	0.096*	0.2109
C824	0.3566 (12)	−0.497 (3)	0.7552 (14)	0.080*	0.2109
H82G	0.334737	−0.493569	0.771927	0.096*	0.2109
H82H	0.342592	−0.478994	0.727952	0.096*	0.2109
C823	0.3934 (15)	−0.433 (2)	0.7715 (13)	0.080*	0.2109
H82I	0.381252	−0.373351	0.774648	0.096*	0.2109
H82J	0.412294	−0.427780	0.752040	0.096*	0.2109
O1B	0.195 (2)	−0.349 (5)	0.804 (2)	0.16 (2)	0.174
H1BA	0.200083	−0.379694	0.824418	0.247*	0.174
C13B	0.2331 (19)	−0.342 (3)	0.788 (2)	0.121 (15)	0.174
H13C	0.231951	−0.386924	0.766842	0.145*	0.174
H13D	0.258448	−0.355497	0.809500	0.145*	0.174
C15B	0.378 (3)	−0.358 (7)	0.797 (3)	0.12 (3)	0.174
H15D	0.393259	−0.390286	0.778835	0.186*	0.174
H15E	0.370187	−0.399810	0.815764	0.186*	0.174
H15F	0.396836	−0.311461	0.810712	0.186*	0.174
C14B	0.178 (2)	−0.373 (6)	0.652 (3)	0.14 (3)	0.174
H14D	0.173210	−0.345872	0.625532	0.212*	0.174
H14E	0.151766	−0.369383	0.662424	0.212*	0.174
H14F	0.186663	−0.435275	0.650457	0.212*	0.174

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I411	0.123 (10)	0.033 (2)	0.140 (10)	0.013 (4)	−0.073 (7)	−0.001 (5)
I305	0.073 (3)	0.097 (3)	0.180 (5)	−0.0229 (18)	0.004 (2)	−0.074 (3)
I407	0.247 (9)	0.062 (3)	0.394 (14)	0.075 (4)	0.202 (10)	0.080 (6)
I408	0.465 (18)	0.094 (4)	0.219 (8)	−0.142 (7)	0.211 (10)	−0.105 (5)
I302	0.0961 (15)	0.0376 (7)	0.0875 (13)	−0.0165 (7)	0.0388 (9)	−0.0138 (7)
I304	0.305 (9)	0.0361 (15)	0.150 (4)	−0.026 (2)	−0.133 (5)	0.0150 (16)
I306	0.180 (4)	0.045 (2)	0.214 (5)	−0.033 (2)	−0.129 (4)	0.050 (3)
I303	0.188 (6)	0.243 (7)	0.074 (3)	0.143 (5)	−0.008 (3)	0.007 (3)
I409	0.044 (2)	0.072 (3)	0.074 (3)	−0.0016 (17)	−0.0064 (17)	0.024 (2)
I412	0.208 (13)	0.151 (10)	0.113 (8)	0.060 (7)	0.014 (5)	−0.032 (7)
I301	0.0784 (12)	0.0412 (10)	0.1261 (17)	0.0044 (7)	−0.0011 (10)	0.0158 (8)
I410	0.068 (3)	0.0253 (18)	0.084 (4)	0.0016 (12)	−0.0204 (15)	0.0008 (16)
Zn33	0.103 (6)	0.028 (3)	0.125 (7)	0.000 (3)	−0.069 (5)	−0.009 (3)
Zn32	0.139 (7)	0.027 (3)	0.064 (5)	0.022 (3)	−0.033 (4)	−0.009 (3)
Zn46	0.126 (11)	0.048 (7)	0.052 (10)	0.020 (6)	−0.021 (6)	−0.003 (6)
Zn45	0.045 (4)	0.019 (4)	0.066 (5)	−0.005 (3)	−0.021 (3)	0.015 (3)
Zn44	0.255 (12)	0.008 (4)	0.190 (10)	−0.002 (5)	0.115 (9)	−0.009 (5)
Zn31	0.0679 (18)	0.0327 (16)	0.078 (2)	−0.0063 (11)	0.0166 (14)	0.0004 (14)
N308	0.060 (4)	0.019 (3)	0.058 (4)	0.004 (3)	−0.008 (3)	−0.006 (3)
N316	0.062 (5)	0.025 (4)	0.064 (5)	−0.004 (3)	−0.017 (4)	0.000 (3)
N309	0.064 (5)	0.030 (4)	0.058 (5)	−0.005 (3)	−0.013 (4)	−0.005 (3)
N310	0.056 (4)	0.033 (4)	0.050 (4)	−0.002 (3)	−0.008 (3)	−0.004 (3)
N304	0.070 (5)	0.043 (4)	0.054 (5)	−0.006 (4)	−0.004 (4)	−0.005 (4)
N320	0.064 (5)	0.032 (4)	0.070 (5)	0.005 (3)	−0.022 (4)	−0.016 (4)
N305	0.066 (5)	0.041 (5)	0.075 (6)	−0.002 (4)	−0.026 (5)	−0.006 (4)
N311	0.095 (7)	0.029 (4)	0.070 (6)	−0.002 (4)	0.007 (5)	−0.005 (4)
N314	0.058 (5)	0.049 (5)	0.054 (5)	−0.004 (4)	−0.013 (4)	0.003 (4)
N312	0.063 (5)	0.027 (4)	0.086 (6)	0.003 (3)	−0.032 (4)	−0.007 (4)
N315	0.063 (5)	0.043 (4)	0.062 (5)	−0.005 (4)	−0.009 (4)	0.004 (4)
N321	0.072 (5)	0.033 (4)	0.066 (5)	−0.002 (4)	−0.018 (4)	−0.008 (4)
N322	0.068 (5)	0.042 (5)	0.070 (5)	0.009 (4)	−0.012 (4)	−0.009 (4)
N303	0.075 (6)	0.056 (5)	0.051 (5)	−0.005 (4)	0.000 (4)	−0.005 (4)
N307	0.091 (6)	0.036 (4)	0.061 (5)	0.012 (4)	−0.034 (5)	−0.012 (4)
N318	0.075 (6)	0.056 (5)	0.048 (5)	−0.005 (4)	−0.011 (4)	−0.006 (4)
N323	0.097 (7)	0.040 (5)	0.088 (7)	−0.004 (5)	0.021 (6)	0.005 (5)
N313	0.106 (8)	0.031 (4)	0.084 (7)	−0.003 (5)	0.020 (6)	−0.003 (4)
C324	0.052 (5)	0.028 (4)	0.052 (5)	0.006 (3)	−0.010 (4)	−0.008 (4)
C325	0.044 (4)	0.021 (4)	0.058 (5)	0.002 (3)	−0.008 (4)	−0.009 (3)
C352	0.065 (6)	0.029 (4)	0.055 (5)	−0.001 (4)	−0.010 (5)	0.005 (4)
N319	0.094 (7)	0.043 (5)	0.069 (6)	0.009 (4)	−0.026 (5)	−0.015 (4)
N306	0.084 (6)	0.043 (5)	0.060 (5)	−0.012 (4)	−0.012 (4)	−0.009 (4)
N324	0.076 (6)	0.031 (4)	0.097 (7)	0.008 (4)	−0.027 (5)	−0.015 (4)
N317	0.065 (6)	0.057 (6)	0.089 (7)	−0.009 (5)	−0.016 (5)	−0.011 (5)
C327	0.054 (5)	0.023 (4)	0.067 (6)	−0.001 (4)	−0.011 (4)	−0.007 (4)
C334	0.060 (5)	0.025 (4)	0.057 (5)	−0.005 (4)	−0.003 (4)	−0.006 (4)
C326	0.060 (5)	0.027 (4)	0.057 (5)	0.004 (4)	−0.003 (4)	−0.001 (4)
C343	0.058 (6)	0.037 (5)	0.065 (6)	0.000 (4)	−0.022 (5)	−0.001 (4)
N302	0.109 (8)	0.051 (5)	0.064 (6)	−0.022 (5)	0.016 (5)	−0.012 (4)
C321	0.063 (6)	0.032 (5)	0.060 (6)	0.003 (4)	−0.013 (5)	−0.007 (4)
C344	0.055 (5)	0.033 (5)	0.053 (5)	0.001 (4)	−0.016 (4)	0.006 (4)
C309	0.067 (6)	0.036 (5)	0.055 (6)	0.000 (4)	−0.015 (5)	−0.004 (4)
C307	0.063 (6)	0.046 (5)	0.051 (5)	−0.006 (4)	−0.008 (5)	−0.007 (4)
C345	0.056 (5)	0.033 (5)	0.078 (7)	−0.005 (4)	−0.015 (5)	−0.007 (5)
C360	0.071 (6)	0.036 (5)	0.059 (6)	0.003 (4)	−0.007 (5)	−0.016 (4)
C308	0.078 (7)	0.041 (5)	0.060 (6)	−0.014 (5)	0.006 (5)	−0.002 (4)
C357	0.072 (6)	0.032 (5)	0.070 (6)	0.005 (4)	−0.019 (5)	−0.010 (4)
C320	0.072 (6)	0.036 (5)	0.058 (6)	0.004 (4)	−0.021 (5)	−0.006 (4)
N301	0.138 (11)	0.052 (6)	0.097 (8)	−0.026 (6)	0.050 (8)	−0.009 (6)
C313	0.072 (6)	0.032 (5)	0.067 (6)	−0.002 (4)	−0.009 (5)	−0.006 (4)
O3A	0.078 (7)	0.065 (7)	0.113 (9)	0.021 (6)	0.024 (7)	0.017 (6)
C316	0.072 (7)	0.046 (6)	0.057 (6)	−0.012 (5)	−0.002 (5)	−0.009 (4)
C362	0.072 (6)	0.033 (5)	0.060 (6)	0.005 (4)	−0.013 (5)	−0.016 (4)
C339	0.069 (6)	0.044 (5)	0.061 (6)	−0.001 (5)	−0.010 (5)	0.001 (5)
O2A	0.117 (9)	0.066 (7)	0.064 (6)	−0.043 (7)	0.008 (6)	−0.012 (5)
C351	0.055 (5)	0.051 (6)	0.072 (7)	−0.007 (4)	−0.005 (5)	−0.010 (5)
C335	0.056 (6)	0.042 (5)	0.079 (7)	−0.002 (4)	−0.012 (5)	−0.003 (5)
C331	0.079 (7)	0.031 (5)	0.080 (7)	−0.004 (5)	−0.015 (6)	0.003 (5)
C328	0.062 (6)	0.033 (5)	0.094 (8)	0.000 (4)	−0.032 (6)	0.007 (5)
C349	0.078 (7)	0.046 (6)	0.069 (7)	−0.009 (5)	−0.014 (6)	−0.004 (5)
C363	0.068 (6)	0.042 (5)	0.060 (6)	0.002 (4)	−0.001 (5)	−0.003 (4)
C342	0.060 (6)	0.058 (6)	0.048 (5)	0.003 (5)	−0.013 (4)	0.000 (5)
C370	0.068 (6)	0.040 (5)	0.070 (6)	0.007 (4)	−0.025 (5)	−0.020 (5)
C350	0.063 (6)	0.054 (6)	0.081 (8)	−0.001 (5)	−0.026 (6)	−0.011 (6)
C306	0.096 (8)	0.053 (6)	0.057 (6)	−0.018 (6)	0.011 (6)	−0.001 (5)
C336	0.079 (7)	0.033 (5)	0.073 (7)	0.002 (5)	−0.013 (5)	−0.003 (5)
C333	0.097 (8)	0.031 (5)	0.064 (6)	−0.007 (5)	−0.018 (6)	−0.009 (4)
C329	0.073 (7)	0.032 (5)	0.098 (8)	−0.010 (5)	−0.033 (6)	0.009 (5)
C319	0.097 (8)	0.035 (5)	0.059 (6)	0.007 (5)	−0.018 (6)	−0.002 (4)
C361	0.078 (7)	0.029 (5)	0.064 (6)	0.004 (4)	0.000 (5)	−0.003 (4)
C348	0.068 (7)	0.056 (7)	0.083 (8)	−0.007 (5)	−0.017 (6)	0.010 (6)
C353	0.106 (10)	0.065 (7)	0.063 (7)	−0.030 (7)	0.001 (7)	−0.012 (6)
C312	0.058 (6)	0.051 (6)	0.075 (7)	0.006 (5)	−0.008 (5)	0.007 (5)
C303	0.096 (9)	0.061 (7)	0.065 (7)	−0.014 (6)	0.013 (6)	−0.002 (6)
C358	0.099 (9)	0.038 (6)	0.082 (8)	−0.003 (5)	−0.031 (7)	−0.014 (5)
C369	0.077 (7)	0.033 (5)	0.095 (8)	0.001 (5)	−0.018 (6)	0.002 (5)
C317	0.069 (7)	0.082 (9)	0.093 (9)	−0.023 (6)	−0.009 (7)	−0.039 (7)
C330	0.084 (7)	0.038 (5)	0.078 (7)	−0.003 (5)	−0.032 (6)	0.006 (5)
O1A	0.062 (6)	0.092 (9)	0.136 (11)	−0.016 (6)	0.011 (7)	−0.058 (8)
C332	0.105 (9)	0.041 (6)	0.077 (8)	−0.017 (6)	−0.016 (7)	−0.017 (5)
C322	0.095 (8)	0.028 (5)	0.103 (9)	−0.002 (5)	−0.063 (7)	0.001 (5)
C340	0.105 (10)	0.070 (8)	0.082 (8)	−0.027 (7)	0.022 (8)	−0.027 (7)
C4A	0.065 (8)	0.022 (6)	0.091 (10)	0.001 (5)	0.014 (7)	−0.001 (6)
C310	0.090 (8)	0.061 (7)	0.074 (7)	−0.013 (6)	0.008 (6)	−0.022 (6)
C367	0.119 (10)	0.027 (5)	0.088 (8)	0.009 (6)	−0.022 (7)	0.001 (5)
C3A	0.044 (6)	0.036 (6)	0.094 (10)	−0.003 (5)	−0.012 (6)	0.000 (6)
C354	0.113 (10)	0.053 (7)	0.066 (7)	−0.021 (6)	0.012 (7)	−0.004 (5)
C356	0.097 (9)	0.031 (5)	0.099 (9)	−0.002 (5)	−0.039 (7)	−0.008 (5)
C355	0.098 (9)	0.033 (5)	0.103 (9)	−0.002 (5)	−0.050 (7)	−0.014 (5)
C359	0.095 (9)	0.051 (6)	0.072 (7)	−0.003 (6)	−0.024 (6)	−0.015 (5)
C337	0.093 (9)	0.079 (9)	0.068 (7)	−0.007 (7)	0.005 (7)	−0.016 (6)
C323	0.101 (9)	0.037 (6)	0.103 (9)	0.002 (6)	−0.058 (8)	0.000 (6)
C311	0.100 (9)	0.061 (7)	0.082 (8)	−0.020 (7)	0.004 (7)	−0.032 (6)
C364	0.092 (8)	0.038 (6)	0.080 (8)	−0.007 (5)	−0.008 (6)	−0.013 (5)
C365	0.086 (8)	0.052 (7)	0.096 (9)	−0.009 (6)	0.009 (7)	−0.022 (6)
C338	0.081 (8)	0.099 (10)	0.067 (7)	−0.021 (7)	0.007 (6)	−0.015 (7)
C366	0.119 (11)	0.056 (7)	0.084 (9)	0.005 (7)	−0.005 (8)	−0.001 (6)
C368	0.068 (7)	0.049 (6)	0.101 (9)	−0.010 (5)	−0.028 (6)	−0.003 (6)
C7A	0.105 (11)	0.036 (7)	0.072 (9)	−0.013 (7)	0.035 (8)	−0.013 (6)
C318	0.077 (8)	0.074 (8)	0.102 (10)	0.001 (7)	0.005 (7)	−0.036 (7)
C341	0.105 (10)	0.075 (9)	0.094 (10)	−0.034 (8)	0.022 (8)	−0.039 (8)
C5A	0.070 (9)	0.044 (8)	0.106 (11)	0.002 (7)	−0.002 (8)	−0.005 (8)
C1A	0.057 (8)	0.041 (8)	0.125 (13)	0.003 (6)	−0.022 (9)	0.015 (9)
C302	0.131 (13)	0.082 (9)	0.102 (11)	−0.038 (9)	0.055 (10)	−0.036 (8)
C346	0.113 (11)	0.079 (9)	0.110 (11)	−0.028 (8)	0.031 (9)	−0.039 (8)
C2A	0.051 (7)	0.063 (9)	0.110 (12)	−0.004 (7)	−0.010 (8)	0.030 (9)
C301	0.133 (14)	0.102 (12)	0.098 (11)	−0.027 (10)	0.059 (10)	−0.029 (9)
C8A	0.121 (12)	0.037 (7)	0.065 (8)	−0.020 (8)	0.028 (9)	−0.009 (6)
C372	0.116 (11)	0.046 (7)	0.133 (12)	−0.004 (7)	−0.071 (10)	−0.001 (7)
C6A	0.057 (8)	0.045 (8)	0.137 (14)	0.004 (6)	−0.015 (9)	−0.024 (9)
C371	0.123 (11)	0.032 (5)	0.115 (10)	−0.009 (6)	−0.077 (9)	0.003 (6)
C12A	0.091 (10)	0.040 (7)	0.094 (10)	0.013 (7)	0.035 (9)	0.008 (7)
C347	0.131 (13)	0.058 (8)	0.146 (15)	−0.033 (9)	0.026 (12)	−0.054 (9)
C305	0.150 (16)	0.106 (13)	0.113 (12)	−0.054 (12)	0.060 (12)	−0.033 (10)
C304	0.154 (16)	0.109 (13)	0.109 (12)	−0.069 (12)	0.053 (12)	−0.040 (10)
C10A	0.19 (2)	0.025 (7)	0.101 (13)	0.006 (10)	0.073 (13)	0.005 (8)
C11A	0.142 (15)	0.053 (9)	0.111 (13)	0.027 (10)	0.068 (12)	0.018 (9)
C14A	0.123 (16)	0.097 (14)	0.101 (14)	−0.066 (13)	0.045 (12)	−0.037 (11)
C13A	0.114 (14)	0.063 (10)	0.107 (13)	0.014 (10)	0.024 (11)	−0.009 (10)
C9A	0.163 (18)	0.063 (10)	0.073 (11)	−0.032 (11)	0.038 (11)	−0.009 (8)
C315	0.075 (8)	0.107 (11)	0.091 (9)	−0.040 (7)	0.013 (6)	−0.058 (8)
C314	0.075 (8)	0.107 (11)	0.091 (9)	−0.040 (7)	0.013 (6)	−0.058 (8)
C15A	0.076 (13)	0.095 (16)	0.23 (3)	0.013 (12)	0.013 (16)	0.038 (18)
I311	0.096 (2)	0.0408 (12)	0.0988 (17)	0.0089 (11)	−0.018 (2)	0.0023 (8)
Zn36	0.079 (3)	0.045 (3)	0.046 (4)	0.0104 (16)	−0.016 (2)	−0.002 (2)
I312	0.102 (3)	0.129 (2)	0.0845 (16)	0.0388 (14)	0.0203 (11)	0.0134 (19)
I406	0.070 (2)	0.0314 (15)	0.144 (3)	−0.0043 (11)	−0.015 (3)	0.0243 (14)
Zn43	0.037 (3)	0.034 (4)	0.106 (6)	0.005 (2)	−0.017 (3)	−0.009 (3)
I405	0.0469 (19)	0.070 (2)	0.118 (3)	0.004 (2)	−0.021 (2)	−0.0534 (18)
Zn35	0.090 (3)	0.035 (3)	0.146 (5)	−0.0105 (17)	−0.054 (3)	0.021 (2)
I310	0.147 (2)	0.0685 (19)	0.297 (5)	0.0109 (15)	−0.061 (3)	−0.071 (3)
I309	0.114 (3)	0.120 (2)	0.180 (3)	−0.0425 (18)	−0.0545 (19)	0.085 (2)
I402	0.369 (14)	0.075 (3)	0.162 (6)	−0.102 (6)	0.169 (9)	−0.066 (4)
Zn41	0.239 (15)	0.037 (3)	0.160 (11)	−0.008 (7)	0.112 (10)	−0.010 (5)
I401	0.280 (11)	0.088 (4)	0.360 (13)	0.093 (6)	0.185 (11)	0.075 (7)
Zn42	0.069 (5)	0.081 (7)	0.043 (5)	0.025 (4)	−0.025 (3)	−0.011 (4)
I403	0.075 (3)	0.118 (4)	0.075 (3)	0.044 (3)	0.0115 (18)	0.0238 (19)
I404	0.109 (4)	0.0362 (17)	0.070 (2)	0.0059 (15)	−0.033 (2)	0.0014 (12)
Zn34	0.077 (2)	0.033 (3)	0.072 (2)	−0.0104 (16)	0.0176 (19)	−0.0132 (19)
I308	0.129 (2)	0.0484 (12)	0.0763 (14)	−0.0353 (11)	0.0320 (13)	−0.0309 (9)
I307	0.0773 (13)	0.0287 (9)	0.130 (2)	0.0035 (7)	0.0165 (11)	−0.0102 (9)
C415	0.075 (8)	0.107 (11)	0.091 (9)	−0.040 (7)	0.013 (6)	−0.058 (8)
C414	0.075 (8)	0.107 (11)	0.091 (9)	−0.040 (7)	0.013 (6)	−0.058 (8)
C4B	0.07 (2)	0.14 (2)	0.07 (3)	0.002 (19)	−0.043 (17)	−0.039 (17)
C3B	0.07 (3)	0.14 (2)	0.07 (3)	0.02 (2)	−0.037 (19)	−0.03 (2)
C2B	0.07 (3)	0.14 (2)	0.08 (3)	0.02 (3)	−0.04 (2)	−0.03 (2)
C1B	0.07 (3)	0.14 (2)	0.09 (3)	0.02 (3)	−0.03 (2)	−0.03 (3)
C6B	0.08 (3)	0.14 (2)	0.08 (3)	0.01 (3)	−0.04 (2)	−0.04 (2)
C5B	0.07 (2)	0.13 (2)	0.07 (3)	0.00 (2)	−0.042 (18)	−0.05 (2)
O2B	0.12 (2)	0.09 (3)	0.07 (2)	−0.029 (19)	0.013 (17)	0.018 (19)
C7B	0.11 (2)	0.12 (2)	0.08 (2)	−0.003 (17)	0.008 (16)	−0.022 (17)
C8B	0.12 (2)	0.10 (2)	0.05 (2)	−0.016 (18)	0.025 (16)	−0.002 (16)
C9B	0.13 (3)	0.10 (2)	0.05 (2)	−0.01 (2)	0.03 (2)	0.001 (18)
C10B	0.14 (3)	0.11 (3)	0.06 (3)	0.00 (2)	0.03 (2)	0.00 (2)
C11B	0.13 (3)	0.11 (2)	0.07 (3)	0.00 (2)	0.03 (2)	0.00 (2)
C12B	0.11 (2)	0.11 (2)	0.10 (3)	−0.005 (19)	0.014 (18)	−0.013 (19)
O3B	0.11 (3)	0.11 (3)	0.12 (3)	0.01 (2)	−0.01 (2)	−0.02 (2)
C809	0.32 (6)	0.13 (3)	0.09 (3)	0.02 (3)	−0.03 (3)	−0.02 (3)
C808	0.31 (6)	0.11 (3)	0.08 (2)	0.02 (3)	−0.02 (3)	0.01 (2)
C807	0.31 (6)	0.10 (2)	0.06 (2)	0.01 (3)	−0.03 (3)	0.00 (2)
C812	0.31 (6)	0.09 (3)	0.07 (2)	0.02 (3)	−0.04 (3)	0.01 (2)
C811	0.32 (6)	0.10 (3)	0.09 (3)	0.02 (3)	−0.04 (3)	−0.02 (3)
C810	0.32 (6)	0.12 (3)	0.11 (3)	0.02 (3)	−0.03 (3)	−0.02 (3)
C816	0.10 (3)	0.23 (5)	0.32 (6)	0.04 (3)	0.05 (3)	−0.03 (5)
C815	0.10 (3)	0.24 (5)	0.30 (6)	0.03 (3)	0.04 (3)	−0.02 (5)
C814	0.09 (3)	0.24 (5)	0.28 (6)	0.05 (3)	0.06 (3)	−0.04 (4)
C813	0.08 (3)	0.24 (5)	0.26 (5)	0.04 (3)	0.05 (3)	−0.05 (4)
C818	0.06 (2)	0.22 (5)	0.27 (5)	0.03 (3)	0.04 (3)	−0.06 (5)
C817	0.09 (2)	0.23 (5)	0.29 (6)	0.03 (3)	0.04 (3)	−0.04 (5)
O1B	0.11 (3)	0.21 (6)	0.16 (5)	0.04 (4)	−0.01 (3)	0.07 (4)
C13B	0.10 (3)	0.14 (3)	0.09 (3)	0.00 (3)	−0.03 (2)	−0.03 (3)
C15B	0.11 (4)	0.10 (5)	0.14 (5)	0.01 (4)	−0.01 (3)	−0.02 (4)
C14B	0.15 (4)	0.16 (6)	0.10 (4)	−0.07 (4)	−0.01 (3)	0.03 (4)

Geometric parameters (Å, º)

I411—Zn46	2.56 (3)	C355—H355	0.9500
I305—Zn33	2.597 (17)	C359—H359	0.9500
I407—Zn44	2.464 (17)	C337—H337	0.9500
I408—Zn44	2.503 (17)	C337—C338	1.374 (19)
I302—Zn31	2.531 (5)	C323—H323	0.9500
I304—Zn32	2.461 (11)	C311—H311	0.9500
I306—Zn33	2.484 (15)	C364—H364	0.9500
I303—Zn32	2.493 (14)	C364—C365	1.402 (17)
I409—Zn45	2.532 (17)	C365—H365	0.9500
I412—Zn46	2.45 (3)	C338—H338	0.9500
I301—Zn31	2.526 (4)	C366—H366	0.9500
I410—Zn45	2.467 (16)	C368—H368	0.9500
Zn33—N305^i	2.137 (14)	C7A—C8A	1.388 (12)
Zn33—N312	2.095 (12)	C7A—C12A	1.375 (12)
Zn32—N307	2.102 (11)	C318—H318	0.9500
Zn32—N306	2.037 (12)	C341—H341	0.9500
Zn46—N318	2.17 (3)	C5A—C6A	1.395 (13)
Zn46—N319	1.97 (3)	C5A—C13A	1.512 (18)
Zn45—N324^ii	2.174 (19)	C1A—H1A	0.9500
Zn45—N317	2.18 (2)	C1A—C2A	1.384 (13)
Zn44—N311	2.056 (12)	C1A—C6A	1.377 (13)
Zn44—N313	2.081 (18)	C302—H302	0.9500
Zn31—N323^iii	2.087 (11)	C302—C301	1.38 (2)
Zn31—N301	2.079 (13)	C346—H346	0.9500
N308—C324	1.344 (11)	C346—C347	1.42 (2)
N308—C325	1.329 (11)	C2A—H2A	0.9500
N316—C343	1.341 (13)	C301—H301	0.9500
N316—C344	1.345 (12)	C8A—C9A	1.380 (13)
N309—C324	1.314 (12)	C372—H372	0.9500
N309—C326	1.339 (12)	C372—C371	1.401 (16)
N310—C325	1.316 (11)	C6A—H6A	0.9500
N310—C326	1.327 (11)	C371—H371	0.9500
N304—C307	1.330 (13)	C12A—C11A	1.381 (13)
N304—C308	1.346 (13)	C347—H347	0.9500
N320—C360	1.335 (12)	C305—H305	0.9500
N320—C362	1.324 (12)	C305—C304	1.40 (2)
N305—C312	1.350 (15)	C304—H304	0.9500
N305—C311	1.328 (17)	C10A—H10A	0.9500
N305—Zn43^iv	2.028 (14)	C10A—C11A	1.364 (14)
N311—C336	1.317 (13)	C10A—C9A	1.369 (14)
N311—C332	1.319 (15)	C11A—H11A	0.9500
N311—Zn34	2.103 (9)	C14A—H14A	0.9800
N314—C344	1.318 (14)	C14A—H14B	0.9800
N314—C342	1.340 (13)	C14A—H14C	0.9800
N312—C329	1.337 (13)	C13A—H13A	0.9900
N312—C330	1.332 (13)	C13A—H13B	0.9900
N312—Zn43	2.057 (13)	C9A—H9A	0.9500
N315—C343	1.328 (15)	C315—H315	0.9500
N315—C342	1.317 (13)	C315—C314	1.36 (2)
N321—C360	1.332 (13)	C314—H314	0.9500
N321—C361	1.325 (13)	C15A—H15A	0.9800
N322—C362	1.347 (13)	C15A—H15B	0.9800
N322—C361	1.343 (13)	C15A—H15C	0.9800
N303—C307	1.318 (14)	I311—Zn36	2.530 (14)
N303—C306	1.339 (14)	Zn36—I312	2.551 (12)
N307—C319	1.337 (14)	I406—Zn43	2.598 (13)
N307—C323	1.313 (15)	Zn43—I405	2.453 (16)
N307—Zn42	2.045 (12)	Zn35—I310	2.580 (11)
N318—C350	1.334 (16)	Zn35—I309	2.501 (10)
N318—C354	1.315 (15)	I402—Zn41	2.517 (13)
N318—Zn36	2.025 (15)	Zn41—I401	2.536 (16)
N323—C365	1.306 (17)	Zn42—I403	2.531 (13)
N323—C366	1.313 (16)	Zn42—I404	2.606 (14)
N323—Zn41^v	2.110 (14)	Zn34—I308	2.531 (5)
N313—C337	1.328 (16)	Zn34—I307	2.546 (5)
N313—C341	1.315 (16)	C415—H415	0.9500
N313—Zn34	2.054 (12)	C415—C414	1.36 (3)
C324—C321	1.474 (12)	C414—H414	0.9500
C325—C327	1.506 (11)	C4B—C3B	1.3900
C352—C344	1.488 (14)	C4B—C5B	1.3900
C352—C351	1.364 (14)	C4B—C7B	1.511 (19)
C352—C353	1.366 (17)	C3B—H3B	0.9500
N319—C355	1.301 (15)	C3B—C2B	1.3900
N319—C359	1.358 (14)	C2B—H2B	0.9500
N319—Zn36	2.127 (14)	C2B—C1B	1.3900
N306—C318	1.278 (16)	C1B—H1B	0.9500
N306—C314	1.389 (19)	C1B—C6B	1.3900
N306—Zn42	2.078 (14)	C6B—H6B	0.9500
N306—C414	1.38 (2)	C6B—C5B	1.3900
N324—C368	1.325 (14)	C5B—C13B	1.51 (2)
N324—C372	1.285 (16)	O2B—C8B	1.36 (2)
N324—Zn35^vi	2.031 (12)	O2B—C14B	1.44 (2)
N317—C348	1.281 (16)	C7B—C8B	1.3900
N317—C347	1.30 (2)	C7B—C12B	1.3900
N317—Zn35	2.017 (13)	C8B—C9B	1.3900
C327—C331	1.382 (14)	C9B—H9B	0.9500
C327—C328	1.361 (13)	C9B—C10B	1.3900
C334—C326	1.500 (12)	C10B—H10B	0.9500
C334—C335	1.379 (14)	C10B—C11B	1.3900
C334—C333	1.378 (13)	C11B—H11B	0.9500
C343—C345	1.494 (14)	C11B—C12B	1.3900
N302—C308	1.315 (15)	C12B—O3B	1.37 (2)
N302—C306	1.330 (14)	O3B—C15B	1.44 (2)
C321—C320	1.359 (14)	C809—H80A	0.9900
C321—C322	1.393 (13)	C809—H80B	0.9900
C309—C307	1.495 (14)	C809—C808	1.534 (13)
C309—C313	1.381 (16)	C809—C810	1.535 (13)
C309—C310	1.377 (15)	C808—H80C	0.9900
C345—C349	1.376 (17)	C808—H80D	0.9900
C345—C346	1.363 (17)	C808—C807	1.534 (13)
C360—C357	1.499 (14)	C807—H80E	0.9900
C308—C316	1.452 (15)	C807—H80F	0.9900
C357—C358	1.336 (15)	C807—C812	1.534 (13)
C357—C356	1.379 (14)	C812—H81A	0.9900
C320—H320	0.9500	C812—H81B	0.9900
C320—C319	1.363 (13)	C812—C811	1.533 (13)
N301—C301	1.33 (2)	C811—H81C	0.9900
N301—C305	1.281 (19)	C811—H81D	0.9900
N301—Zn41	2.046 (17)	C811—C810	1.531 (13)
C313—H313	0.9500	C810—H81E	0.9900
C313—C312	1.351 (15)	C810—H81F	0.9900
O3A—C12A	1.363 (13)	C816—H81G	0.9900
O3A—C15A	1.440 (16)	C816—H81H	0.9900
C316—C317	1.307 (18)	C816—C815	1.542 (13)
C316—C315	1.456 (17)	C816—C817	1.539 (13)
C316—C415	1.45 (2)	C815—H81I	0.9900
C362—C370	1.490 (13)	C815—H81J	0.9900
C339—C342	1.467 (16)	C815—C814	1.540 (13)
C339—C340	1.366 (16)	C814—H81K	0.9900
C339—C338	1.373 (16)	C814—H81L	0.9900
O2A—C8A	1.378 (14)	C814—C813	1.541 (13)
O2A—C14A	1.439 (15)	C813—H81M	0.9900
C351—H351	0.9500	C813—H81N	0.9900
C351—C350	1.393 (16)	C813—C818	1.535 (13)
C335—H335	0.9500	C818—H81O	0.9900
C335—C336	1.382 (14)	C818—H81P	0.9900
C331—H331	0.9500	C818—C817	1.538 (13)
C331—C330	1.399 (14)	C817—H81Q	0.9900
C328—H328	0.9500	C817—H81R	0.9900
C328—C329	1.369 (14)	C802—H80G	0.9900
C349—H349	0.9500	C802—H80H	0.9900
C349—C348	1.395 (16)	C802—C801	1.539 (13)
C363—C361	1.475 (14)	C802—C803	1.542 (13)
C363—C367	1.363 (15)	C801—H80I	0.9900
C363—C364	1.373 (14)	C801—H80J	0.9900
C370—C369	1.363 (15)	C801—C806	1.542 (13)
C370—C371	1.371 (15)	C806—H80K	0.9900
C350—H350	0.9500	C806—H80L	0.9900
C306—C303	1.506 (17)	C806—C805	1.539 (13)
C336—H336	0.9500	C805—H80M	0.9900
C333—H333	0.9500	C805—H80N	0.9900
C333—C332	1.359 (15)	C805—C804	1.535 (13)
C329—H329	0.9500	C804—H80O	0.9900
C319—H319	0.9500	C804—H80P	0.9900
C348—H348	0.9500	C804—C803	1.536 (13)
C353—H353	0.9500	C803—H80Q	0.9900
C353—C354	1.397 (17)	C803—H80R	0.9900
C312—H312	0.9500	C822—H82A	0.9900
C303—C302	1.350 (18)	C822—H82B	0.9900
C303—C304	1.360 (19)	C822—C821	1.532 (13)
C358—H358	0.9500	C822—C823	1.534 (13)
C358—C359	1.380 (16)	C821—H82C	0.9900
C369—H369	0.9500	C821—H82D	0.9900
C369—C368	1.385 (15)	C821—C820	1.529 (13)
C317—H317	0.9500	C820—H82E	0.9900
C317—C318	1.413 (17)	C820—H82F	0.9900
C330—H330	0.9500	C820—C819	1.527 (13)
O1A—H1AA	0.8400	C819—H81S	0.9900
O1A—C13A	1.423 (15)	C819—H81T	0.9900
C332—H332	0.9500	C819—C824	1.526 (13)
C322—H322	0.9500	C824—H82G	0.9900
C322—C323	1.387 (14)	C824—H82H	0.9900
C340—H340	0.9500	C824—C823	1.527 (13)
C340—C341	1.407 (19)	C823—H82I	0.9900
C4A—C3A	1.389 (12)	C823—H82J	0.9900
C4A—C7A	1.508 (14)	O1B—H1BA	0.8400
C4A—C5A	1.398 (12)	O1B—C13B	1.42 (2)
C310—H310	0.9500	C13B—H13C	0.9900
C310—C311	1.374 (17)	C13B—H13D	0.9900
C367—H367	0.9500	C15B—H15D	0.9800
C367—C366	1.383 (17)	C15B—H15E	0.9800
C3A—H3A	0.9500	C15B—H15F	0.9800
C3A—C2A	1.385 (12)	C14B—H14D	0.9800
C354—H354	0.9500	C14B—H14E	0.9800
C356—H356	0.9500	C14B—H14F	0.9800
C356—C355	1.414 (15)
I306—Zn33—I305	124.2 (5)	C6A—C1A—H1A	120.0
N305^i—Zn33—I305	109.7 (6)	C6A—C1A—C2A	120.0 (11)
N305^i—Zn33—I306	108.6 (6)	C303—C302—H302	120.8
N312—Zn33—I305	104.6 (6)	C303—C302—C301	118.5 (14)
N312—Zn33—I306	108.6 (6)	C301—C302—H302	120.8
N312—Zn33—N305^i	97.9 (6)	C345—C346—H346	121.4
I304—Zn32—I303	124.5 (4)	C345—C346—C347	117.2 (15)
N307—Zn32—I304	108.1 (5)	C347—C346—H346	121.4
N307—Zn32—I303	104.5 (6)	C3A—C2A—H2A	120.1
N306—Zn32—I304	106.5 (6)	C1A—C2A—C3A	119.7 (12)
N306—Zn32—I303	109.2 (5)	C1A—C2A—H2A	120.1
N306—Zn32—N307	101.8 (5)	N301—C301—C302	122.0 (14)
I412—Zn46—I411	122.8 (14)	N301—C301—H301	119.0
N318—Zn46—I411	101.8 (11)	C302—C301—H301	119.0
N318—Zn46—I412	109.9 (13)	O2A—C8A—C7A	116.7 (10)
N319—Zn46—I411	104.6 (13)	O2A—C8A—C9A	124.2 (12)
N319—Zn46—I412	113.3 (13)	C9A—C8A—C7A	119.0 (11)
N319—Zn46—N318	102.0 (14)	N324—C372—H372	116.9
I410—Zn45—I409	128.5 (8)	N324—C372—C371	126.1 (12)
N324^ii—Zn45—I409	102.6 (7)	C371—C372—H372	116.9
N324^ii—Zn45—I410	112.3 (7)	C5A—C6A—H6A	119.3
N324^ii—Zn45—N317	92.2 (8)	C1A—C6A—C5A	121.3 (11)
N317—Zn45—I409	110.1 (7)	C1A—C6A—H6A	119.3
N317—Zn45—I410	105.3 (7)	C370—C371—C372	115.3 (11)
I407—Zn44—I408	119.9 (6)	C370—C371—H371	122.4
N311—Zn44—I407	106.6 (7)	C372—C371—H371	122.4
N311—Zn44—I408	108.1 (7)	O3A—C12A—C7A	115.1 (10)
N311—Zn44—N313	102.2 (6)	O3A—C12A—C11A	124.2 (12)
N313—Zn44—I407	113.2 (7)	C7A—C12A—C11A	120.7 (11)
N313—Zn44—I408	105.4 (7)	N317—C347—C346	123.4 (13)
I301—Zn31—I302	121.7 (2)	N317—C347—H347	118.3
N323^iii—Zn31—I302	109.4 (4)	C346—C347—H347	118.3
N323^iii—Zn31—I301	107.3 (4)	N301—C305—H305	118.7
N301—Zn31—I302	104.5 (4)	N301—C305—C304	122.5 (15)
N301—Zn31—I301	109.7 (5)	C304—C305—H305	118.7
N301—Zn31—N323^iii	102.6 (5)	C303—C304—C305	118.1 (15)
C325—N308—C324	114.3 (7)	C303—C304—H304	120.9
C343—N316—C344	113.6 (10)	C305—C304—H304	120.9
C324—N309—C326	114.6 (7)	C11A—C10A—H10A	119.8
C325—N310—C326	114.1 (7)	C11A—C10A—C9A	120.3 (12)
C307—N304—C308	113.6 (10)	C9A—C10A—H10A	119.8
C362—N320—C360	114.6 (9)	C12A—C11A—H11A	120.3
C312—N305—Zn33^iv	121.3 (10)	C10A—C11A—C12A	119.5 (12)
C312—N305—Zn43^iv	123.3 (10)	C10A—C11A—H11A	120.3
C311—N305—Zn33^iv	120.3 (8)	O2A—C14A—H14A	109.5
C311—N305—C312	118.3 (10)	O2A—C14A—H14B	109.5
C311—N305—Zn43^iv	118.1 (8)	O2A—C14A—H14C	109.5
C336—N311—Zn44	121.0 (9)	H14A—C14A—H14B	109.5
C336—N311—C332	118.8 (9)	H14A—C14A—H14C	109.5
C336—N311—Zn34	121.7 (7)	H14B—C14A—H14C	109.5
C332—N311—Zn44	120.2 (8)	O1A—C13A—C5A	113.7 (14)
C332—N311—Zn34	119.5 (7)	O1A—C13A—H13A	108.8
C344—N314—C342	114.9 (9)	O1A—C13A—H13B	108.8
C329—N312—Zn33	119.6 (7)	C5A—C13A—H13A	108.8
C329—N312—Zn43	121.1 (7)	C5A—C13A—H13B	108.8
C330—N312—Zn33	120.3 (7)	H13A—C13A—H13B	107.7
C330—N312—C329	119.7 (8)	C8A—C9A—H9A	119.6
C330—N312—Zn43	119.1 (7)	C10A—C9A—C8A	120.9 (12)
C342—N315—C343	114.3 (9)	C10A—C9A—H9A	119.6
C361—N321—C360	114.3 (8)	C316—C315—H315	120.5
C361—N322—C362	115.4 (8)	C314—C315—C316	119.1 (15)
C307—N303—C306	114.6 (9)	C314—C315—H315	120.5
C319—N307—Zn32	122.2 (7)	N306—C314—H314	119.5
C319—N307—Zn42	123.4 (8)	C315—C314—N306	120.9 (13)
C323—N307—Zn32	119.6 (7)	C315—C314—H314	119.5
C323—N307—C319	118.0 (9)	O3A—C15A—H15A	109.5
C323—N307—Zn42	118.2 (8)	O3A—C15A—H15B	109.5
C350—N318—Zn46	125.7 (12)	O3A—C15A—H15C	109.5
C350—N318—Zn36	117.5 (8)	H15A—C15A—H15B	109.5
C354—N318—Zn46	115.5 (13)	H15A—C15A—H15C	109.5
C354—N318—C350	118.4 (10)	H15B—C15A—H15C	109.5
C354—N318—Zn36	124.0 (10)	N318—Zn36—N319	101.8 (6)
Zn31^v—N323—Zn41^v	16.8 (5)	N318—Zn36—I311	110.4 (6)
C365—N323—Zn31^v	125.9 (9)	N318—Zn36—I312	105.8 (5)
C365—N323—C366	118.6 (11)	N319—Zn36—I311	106.4 (5)
C365—N323—Zn41^v	109.6 (10)	N319—Zn36—I312	104.2 (6)
C366—N323—Zn31^v	115.5 (9)	I311—Zn36—I312	125.7 (5)
C366—N323—Zn41^v	131.7 (11)	N305^i—Zn43—N312	102.7 (6)
C337—N313—Zn44	123.6 (9)	N305^i—Zn43—I406	105.3 (5)
C337—N313—Zn34	122.2 (9)	N305^i—Zn43—I405	110.0 (7)
C341—N313—Zn44	118.0 (10)	N312—Zn43—I406	105.9 (6)
C341—N313—C337	118.4 (12)	N312—Zn43—I405	106.3 (5)
C341—N313—Zn34	119.3 (9)	I405—Zn43—I406	124.5 (5)
N308—C324—C321	116.0 (8)	N324^ii—Zn35—I310	108.3 (5)
N309—C324—N308	125.0 (8)	N324^ii—Zn35—I309	106.1 (5)
N309—C324—C321	119.0 (8)	N317—Zn35—N324^ii	101.6 (5)
N308—C325—C327	115.8 (7)	N317—Zn35—I310	105.7 (5)
N310—C325—N308	126.2 (7)	N317—Zn35—I309	106.5 (5)
N310—C325—C327	118.1 (7)	I309—Zn35—I310	126.1 (4)
C351—C352—C344	120.5 (10)	N323^iii—Zn41—I402	116.6 (7)
C351—C352—C353	118.6 (10)	N323^iii—Zn41—I401	98.9 (6)
C353—C352—C344	120.9 (9)	N301—Zn41—N323^iii	102.9 (6)
C355—N319—Zn46	116.9 (13)	N301—Zn41—I402	118.1 (7)
C355—N319—C359	117.9 (10)	N301—Zn41—I401	96.0 (7)
C355—N319—Zn36	122.1 (8)	I402—Zn41—I401	120.4 (5)
C359—N319—Zn46	123.9 (12)	N307—Zn42—N306	102.4 (6)
C359—N319—Zn36	119.9 (8)	N307—Zn42—I403	106.2 (7)
C318—N306—Zn32	123.0 (10)	N307—Zn42—I404	108.2 (5)
C318—N306—C314	118.1 (11)	N306—Zn42—I403	106.3 (5)
C318—N306—Zn42	121.3 (10)	N306—Zn42—I404	106.4 (6)
C318—N306—C414	103.9 (18)	I403—Zn42—I404	125.1 (4)
C314—N306—Zn32	117.5 (8)	N311—Zn34—I308	110.1 (3)
C414—N306—Zn42	121.4 (13)	N311—Zn34—I307	107.6 (3)
C368—N324—Zn45^vi	120.3 (8)	N313—Zn34—N311	101.5 (4)
C368—N324—Zn35^vi	123.3 (8)	N313—Zn34—I308	108.2 (3)
C372—N324—Zn45^vi	121.7 (9)	N313—Zn34—I307	106.8 (4)
C372—N324—C368	117.4 (10)	I308—Zn34—I307	120.8 (2)
C372—N324—Zn35^vi	119.2 (8)	C316—C415—H415	120.1
C348—N317—Zn45	122.0 (11)	C414—C415—C316	120 (2)
C348—N317—C347	118.7 (11)	C414—C415—H415	120.1
C348—N317—Zn35	124.7 (11)	N306—C414—H414	119.7
C347—N317—Zn45	119.1 (9)	C415—C414—N306	121 (2)
C347—N317—Zn35	115.9 (9)	C415—C414—H414	119.7
C331—C327—C325	120.1 (8)	C3B—C4B—C5B	120.0
C328—C327—C325	121.3 (8)	C3B—C4B—C7B	119.8 (15)
C328—C327—C331	118.5 (8)	C5B—C4B—C7B	119.5 (15)
C335—C334—C326	122.2 (8)	C4B—C3B—H3B	120.0
C333—C334—C326	120.8 (9)	C4B—C3B—C2B	120.0
C333—C334—C335	117.0 (9)	C2B—C3B—H3B	120.0
N309—C326—C334	117.0 (8)	C3B—C2B—H2B	120.0
N310—C326—N309	125.6 (8)	C1B—C2B—C3B	120.0
N310—C326—C334	117.5 (8)	C1B—C2B—H2B	120.0
N316—C343—C345	116.5 (11)	C2B—C1B—H1B	120.0
N315—C343—N316	126.0 (9)	C6B—C1B—C2B	120.0
N315—C343—C345	117.4 (9)	C6B—C1B—H1B	120.0
C308—N302—C306	115.9 (10)	C1B—C6B—H6B	120.0
C320—C321—C324	122.2 (8)	C1B—C6B—C5B	120.0
C320—C321—C322	117.8 (9)	C5B—C6B—H6B	120.0
C322—C321—C324	119.8 (9)	C4B—C5B—C13B	118 (3)
N316—C344—C352	116.9 (10)	C6B—C5B—C4B	120.0
N314—C344—N316	125.3 (9)	C6B—C5B—C13B	122 (3)
N314—C344—C352	117.8 (8)	C8B—O2B—C14B	118 (2)
C313—C309—C307	121.9 (9)	C8B—C7B—C4B	119.7 (15)
C310—C309—C307	120.5 (11)	C8B—C7B—C12B	120.0
C310—C309—C313	117.6 (10)	C12B—C7B—C4B	118.8 (15)
N304—C307—C309	115.6 (10)	O2B—C8B—C7B	117 (3)
N303—C307—N304	126.5 (9)	O2B—C8B—C9B	123 (3)
N303—C307—C309	117.9 (9)	C7B—C8B—C9B	120.0
C349—C345—C343	122.2 (10)	C8B—C9B—H9B	120.0
C346—C345—C343	119.6 (12)	C8B—C9B—C10B	120.0
C346—C345—C349	118.2 (11)	C10B—C9B—H9B	120.0
N320—C360—C357	115.0 (9)	C9B—C10B—H10B	120.0
N321—C360—N320	126.3 (9)	C11B—C10B—C9B	120.0
N321—C360—C357	118.7 (8)	C11B—C10B—H10B	120.0
N304—C308—C316	116.2 (10)	C10B—C11B—H11B	120.0
N302—C308—N304	125.1 (10)	C10B—C11B—C12B	120.0
N302—C308—C316	118.6 (9)	C12B—C11B—H11B	120.0
C358—C357—C360	122.6 (9)	C11B—C12B—C7B	120.0
C358—C357—C356	119.0 (10)	O3B—C12B—C7B	112 (3)
C356—C357—C360	118.4 (9)	O3B—C12B—C11B	127 (3)
C321—C320—H320	120.0	C12B—O3B—C15B	117 (6)
C321—C320—C319	120.0 (10)	H80A—C809—H80B	108.1
C319—C320—H320	120.0	C808—C809—H80A	109.6
C301—N301—Zn31	124.7 (10)	C808—C809—H80B	109.6
C301—N301—Zn41	110.4 (11)	C808—C809—C810	110 (2)
C305—N301—Zn31	116.4 (11)	C810—C809—H80A	109.6
C305—N301—C301	118.9 (13)	C810—C809—H80B	109.6
C305—N301—Zn41	130.0 (12)	C809—C808—H80C	109.5
C309—C313—H313	119.8	C809—C808—H80D	109.5
C312—C313—C309	120.4 (10)	C809—C808—C807	110.6 (19)
C312—C313—H313	119.8	H80C—C808—H80D	108.1
C12A—O3A—C15A	116.4 (12)	C807—C808—H80C	109.5
C308—C316—C315	119.2 (12)	C807—C808—H80D	109.5
C308—C316—C415	121.6 (14)	C808—C807—H80E	109.4
C317—C316—C308	124.0 (10)	C808—C807—H80F	109.4
C317—C316—C315	115.8 (11)	C808—C807—C812	111.3 (18)
C317—C316—C415	100.3 (18)	H80E—C807—H80F	108.0
N320—C362—N322	124.3 (9)	C812—C807—H80E	109.4
N320—C362—C370	118.6 (9)	C812—C807—H80F	109.4
N322—C362—C370	117.1 (9)	C807—C812—H81A	109.5
C340—C339—C342	120.9 (10)	C807—C812—H81B	109.5
C340—C339—C338	117.9 (12)	H81A—C812—H81B	108.1
C338—C339—C342	121.2 (10)	C811—C812—C807	110.5 (18)
C8A—O2A—C14A	118.7 (14)	C811—C812—H81A	109.5
C352—C351—H351	120.7	C811—C812—H81B	109.5
C352—C351—C350	118.7 (12)	C812—C811—H81C	109.5
C350—C351—H351	120.7	C812—C811—H81D	109.5
C334—C335—H335	120.2	H81C—C811—H81D	108.1
C334—C335—C336	119.7 (9)	C810—C811—C812	110.7 (19)
C336—C335—H335	120.2	C810—C811—H81C	109.5
C327—C331—H331	120.6	C810—C811—H81D	109.5
C327—C331—C330	118.8 (9)	C809—C810—H81E	109.4
C330—C331—H331	120.6	C809—C810—H81F	109.4
C327—C328—H328	119.7	C811—C810—C809	111.4 (19)
C327—C328—C329	120.6 (9)	C811—C810—H81E	109.4
C329—C328—H328	119.7	C811—C810—H81F	109.4
C345—C349—H349	120.4	H81E—C810—H81F	108.0
C345—C349—C348	119.2 (11)	H81G—C816—H81H	108.4
C348—C349—H349	120.4	C815—C816—H81G	110.0
C367—C363—C361	120.6 (9)	C815—C816—H81H	110.0
C367—C363—C364	117.1 (10)	C817—C816—H81G	110.0
C364—C363—C361	122.3 (10)	C817—C816—H81H	110.0
N314—C342—C339	116.6 (9)	C817—C816—C815	108.6 (19)
N315—C342—N314	125.7 (11)	C816—C815—H81I	109.8
N315—C342—C339	117.7 (10)	C816—C815—H81J	109.8
C369—C370—C362	122.2 (9)	H81I—C815—H81J	108.3
C369—C370—C371	120.0 (10)	C814—C815—C816	109 (2)
C371—C370—C362	117.8 (10)	C814—C815—H81I	109.8
N318—C350—C351	122.5 (11)	C814—C815—H81J	109.8
N318—C350—H350	118.7	C815—C814—H81K	109.8
C351—C350—H350	118.7	C815—C814—H81L	109.8
N303—C306—C303	117.7 (10)	C815—C814—C813	109.4 (18)
N302—C306—N303	124.3 (11)	H81K—C814—H81L	108.2
N302—C306—C303	118.0 (10)	C813—C814—H81K	109.8
N311—C336—C335	121.8 (10)	C813—C814—H81L	109.8
N311—C336—H336	119.1	C814—C813—H81M	109.8
C335—C336—H336	119.1	C814—C813—H81N	109.8
C334—C333—H333	120.1	H81M—C813—H81N	108.2
C332—C333—C334	119.8 (10)	C818—C813—C814	109.4 (17)
C332—C333—H333	120.1	C818—C813—H81M	109.8
N312—C329—C328	121.2 (9)	C818—C813—H81N	109.8
N312—C329—H329	119.4	C813—C818—H81O	109.7
C328—C329—H329	119.4	C813—C818—H81P	109.7
N307—C319—C320	122.8 (10)	C813—C818—C817	109.7 (19)
N307—C319—H319	118.6	H81O—C818—H81P	108.2
C320—C319—H319	118.6	C817—C818—H81O	109.7
N321—C361—N322	124.7 (9)	C817—C818—H81P	109.7
N321—C361—C363	119.9 (9)	C816—C817—H81Q	109.6
N322—C361—C363	115.4 (9)	C816—C817—H81R	109.6
N317—C348—C349	123.1 (14)	C818—C817—C816	110.3 (17)
N317—C348—H348	118.4	C818—C817—H81Q	109.6
C349—C348—H348	118.4	C818—C817—H81R	109.6
C352—C353—H353	120.2	H81Q—C817—H81R	108.1
C352—C353—C354	119.6 (11)	H80G—C802—H80H	108.1
C354—C353—H353	120.2	C801—C802—H80G	109.5
N305—C312—C313	121.8 (12)	C801—C802—H80H	109.5
N305—C312—H312	119.1	C801—C802—C803	110.6 (19)
C313—C312—H312	119.1	C803—C802—H80G	109.5
C302—C303—C306	121.4 (12)	C803—C802—H80H	109.5
C302—C303—C304	119.7 (14)	C802—C801—H80I	109.5
C304—C303—C306	118.9 (12)	C802—C801—H80J	109.5
C357—C358—H358	119.1	C802—C801—C806	110.9 (17)
C357—C358—C359	121.9 (10)	H80I—C801—H80J	108.0
C359—C358—H358	119.1	C806—C801—H80I	109.5
C370—C369—H369	120.5	C806—C801—H80J	109.5
C370—C369—C368	119.0 (10)	C801—C806—H80K	109.5
C368—C369—H369	120.5	C801—C806—H80L	109.5
C316—C317—H317	118.8	H80K—C806—H80L	108.1
C316—C317—C318	122.3 (11)	C805—C806—C801	110.5 (16)
C318—C317—H317	118.8	C805—C806—H80K	109.5
N312—C330—C331	121.1 (9)	C805—C806—H80L	109.5
N312—C330—H330	119.4	C806—C805—H80M	109.3
C331—C330—H330	119.4	C806—C805—H80N	109.3
C13A—O1A—H1AA	109.5	H80M—C805—H80N	107.9
N311—C332—C333	122.8 (10)	C804—C805—C806	111.7 (17)
N311—C332—H332	118.6	C804—C805—H80M	109.3
C333—C332—H332	118.6	C804—C805—H80N	109.3
C321—C322—H322	120.7	C805—C804—H80O	109.4
C323—C322—C321	118.6 (10)	C805—C804—H80P	109.4
C323—C322—H322	120.7	C805—C804—C803	111.2 (17)
C339—C340—H340	120.3	H80O—C804—H80P	108.0
C339—C340—C341	119.3 (12)	C803—C804—H80O	109.4
C341—C340—H340	120.3	C803—C804—H80P	109.4
C3A—C4A—C7A	119.0 (10)	C802—C803—H80Q	109.5
C3A—C4A—C5A	120.3 (9)	C802—C803—H80R	109.5
C5A—C4A—C7A	120.6 (11)	C804—C803—C802	110.6 (16)
C309—C310—H310	120.3	C804—C803—H80Q	109.5
C311—C310—C309	119.5 (13)	C804—C803—H80R	109.5
C311—C310—H310	120.3	H80Q—C803—H80R	108.1
C363—C367—H367	120.1	H82A—C822—H82B	108.1
C363—C367—C366	119.8 (12)	C821—C822—H82A	109.6
C366—C367—H367	120.1	C821—C822—H82B	109.6
C4A—C3A—H3A	119.8	C821—C822—C823	110 (2)
C2A—C3A—C4A	120.4 (11)	C823—C822—H82A	109.6
C2A—C3A—H3A	119.8	C823—C822—H82B	109.6
N318—C354—C353	121.9 (13)	C822—C821—H82C	109.2
N318—C354—H354	119.1	C822—C821—H82D	109.2
C353—C354—H354	119.1	H82C—C821—H82D	107.9
C357—C356—H356	121.7	C820—C821—C822	112.1 (18)
C357—C356—C355	116.5 (10)	C820—C821—H82C	109.2
C355—C356—H356	121.7	C820—C821—H82D	109.2
N319—C355—C356	124.3 (10)	C821—C820—H82E	108.9
N319—C355—H355	117.8	C821—C820—H82F	108.9
C356—C355—H355	117.8	H82E—C820—H82F	107.7
N319—C359—C358	120.2 (11)	C819—C820—C821	113.3 (18)
N319—C359—H359	119.9	C819—C820—H82E	108.9
C358—C359—H359	119.9	C819—C820—H82F	108.9
N313—C337—H337	118.6	C820—C819—H81S	108.7
N313—C337—C338	122.8 (12)	C820—C819—H81T	108.7
C338—C337—H337	118.6	H81S—C819—H81T	107.6
N307—C323—C322	122.6 (10)	C824—C819—C820	114.2 (18)
N307—C323—H323	118.7	C824—C819—H81S	108.7
C322—C323—H323	118.7	C824—C819—H81T	108.7
N305—C311—C310	122.3 (11)	C819—C824—H82G	108.9
N305—C311—H311	118.9	C819—C824—H82H	108.9
C310—C311—H311	118.9	C819—C824—C823	113.2 (18)
C363—C364—H364	120.1	H82G—C824—H82H	107.7
C363—C364—C365	119.7 (11)	C823—C824—H82G	108.9
C365—C364—H364	120.1	C823—C824—H82H	108.9
N323—C365—C364	121.9 (11)	C822—C823—H82I	109.1
N323—C365—H365	119.1	C822—C823—H82J	109.1
C364—C365—H365	119.1	C824—C823—C822	112.3 (18)
C339—C338—C337	119.6 (12)	C824—C823—H82I	109.1
C339—C338—H338	120.2	C824—C823—H82J	109.1
C337—C338—H338	120.2	H82I—C823—H82J	107.9
N323—C366—C367	122.9 (13)	C13B—O1B—H1BA	109.5
N323—C366—H366	118.6	C5B—C13B—H13C	109.2
C367—C366—H366	118.6	C5B—C13B—H13D	109.2
N324—C368—C369	122.1 (11)	O1B—C13B—C5B	112 (3)
N324—C368—H368	119.0	O1B—C13B—H13C	109.2
C369—C368—H368	119.0	O1B—C13B—H13D	109.1
C8A—C7A—C4A	119.4 (11)	H13C—C13B—H13D	107.9
C12A—C7A—C4A	120.9 (11)	O3B—C15B—H15D	109.5
C12A—C7A—C8A	119.5 (10)	O3B—C15B—H15E	109.5
N306—C318—C317	121.8 (13)	O3B—C15B—H15F	109.5
N306—C318—H318	119.1	H15D—C15B—H15E	109.5
C317—C318—H318	119.1	H15D—C15B—H15F	109.5
N313—C341—C340	122.0 (12)	H15E—C15B—H15F	109.5
N313—C341—H341	119.0	O2B—C14B—H14D	109.5
C340—C341—H341	119.0	O2B—C14B—H14E	109.5
C4A—C5A—C13A	119.6 (11)	O2B—C14B—H14F	109.5
C6A—C5A—C4A	118.3 (11)	H14D—C14B—H14E	109.5
C6A—C5A—C13A	122.1 (12)	H14D—C14B—H14F	109.5
C2A—C1A—H1A	120.0	H14E—C14B—H14F	109.5
Zn33^iv—N305—C312—C313	173.3 (8)	C361—C363—C367—C366	178.4 (13)
Zn33^iv—N305—C311—C310	−172.6 (11)	C361—C363—C364—C365	−178.3 (12)
Zn33—N312—C329—C328	174.2 (11)	C348—N317—C347—C346	−2 (3)
Zn33—N312—C330—C331	−175.2 (11)	C353—C352—C344—N316	−4.5 (13)
Zn32—N307—C319—C320	−174.1 (10)	C353—C352—C344—N314	174.9 (10)
Zn32—N307—C323—C322	177.4 (13)	C353—C352—C351—C350	−4.6 (15)
Zn32—N306—C318—C317	179.1 (11)	C312—N305—C311—C310	3.7 (19)
Zn32—N306—C314—C315	178.4 (18)	C303—C302—C301—N301	−6 (3)
Zn46—N318—C350—C351	−168.3 (12)	C358—C357—C356—C355	3 (2)
Zn46—N318—C354—C353	169.6 (13)	C369—C370—C371—C372	0 (2)
Zn46—N319—C355—C356	168.4 (18)	C317—C316—C315—C314	7 (3)
Zn46—N319—C359—C358	−164.8 (18)	C317—C316—C415—C414	−42 (5)
Zn45^vi—N324—C368—C369	171.4 (12)	C330—N312—C329—C328	1 (2)
Zn45^vi—N324—C372—C371	−171.2 (17)	C332—N311—C336—C335	2.1 (19)
Zn45—N317—C348—C349	174.3 (10)	C322—C321—C320—C319	−1.8 (18)
Zn45—N317—C347—C346	−176.6 (15)	C340—C339—C342—N314	−19.3 (15)
Zn44—N311—C336—C335	−178.7 (10)	C340—C339—C342—N315	159.5 (11)
Zn44—N311—C332—C333	−179.5 (12)	C340—C339—C338—C337	1 (2)
Zn44—N313—C337—C338	−176.4 (12)	C4A—C3A—C2A—C1A	−1 (2)
Zn44—N313—C341—C340	177.5 (12)	C4A—C7A—C8A—O2A	−4 (2)
Zn31^v—N323—C365—C364	179.3 (10)	C4A—C7A—C8A—C9A	178.5 (15)
Zn31^v—N323—C366—C367	−179.2 (13)	C4A—C7A—C12A—O3A	3 (2)
Zn31—N301—C301—C302	−171.2 (14)	C4A—C7A—C12A—C11A	−176.2 (14)
Zn31—N301—C305—C304	173.5 (17)	C4A—C5A—C6A—C1A	0 (2)
N308—C324—C321—C320	−9.5 (15)	C4A—C5A—C13A—O1A	−160.3 (15)
N308—C324—C321—C322	175.6 (11)	C310—C309—C307—N304	−166.9 (10)
N308—C325—C327—C331	179.2 (10)	C310—C309—C307—N303	14.8 (15)
N308—C325—C327—C328	2.5 (15)	C310—C309—C313—C312	2.5 (15)
N316—C343—C345—C349	4.2 (14)	C367—C363—C361—N321	173.3 (12)
N316—C343—C345—C346	−177.2 (11)	C367—C363—C361—N322	−8.1 (18)
N309—C324—C321—C320	172.4 (10)	C367—C363—C364—C365	1 (2)
N309—C324—C321—C322	−2.5 (17)	C3A—C4A—C7A—C8A	−71.0 (19)
N310—C325—C327—C331	0.1 (15)	C3A—C4A—C7A—C12A	105.1 (17)
N310—C325—C327—C328	−176.6 (11)	C3A—C4A—C5A—C6A	0 (2)
N304—C308—C316—C317	18.9 (18)	C3A—C4A—C5A—C13A	−177.9 (15)
N304—C308—C316—C315	−149.6 (14)	C354—N318—C350—C351	4.6 (16)
N304—C308—C316—C415	151 (2)	C356—C357—C358—C359	−1 (2)
N320—C360—C357—C358	−0.4 (18)	C355—N319—C359—C358	2 (2)
N320—C360—C357—C356	177.5 (12)	C359—N319—C355—C356	0 (2)
N320—C362—C370—C369	−2.0 (19)	C337—N313—C341—C340	0 (2)
N320—C362—C370—C371	178.5 (13)	C323—N307—C319—C320	1 (2)
N315—C343—C345—C349	−174.4 (9)	C311—N305—C312—C313	−3.0 (16)
N315—C343—C345—C346	4.3 (15)	C364—C363—C361—N321	−7.6 (18)
N321—C360—C357—C358	−180.0 (13)	C364—C363—C361—N322	171.1 (12)
N321—C360—C357—C356	−2.1 (18)	C364—C363—C367—C366	−1 (2)
N322—C362—C370—C369	179.3 (12)	C365—N323—C366—C367	1 (2)
N322—C362—C370—C371	−0.2 (18)	C338—C339—C342—N314	159.9 (11)
N303—C306—C303—C302	−16 (2)	C338—C339—C342—N315	−21.2 (15)
N303—C306—C303—C304	164.8 (15)	C338—C339—C340—C341	0 (2)
N313—C337—C338—C339	−2 (2)	C366—N323—C365—C364	−1 (2)
C324—N308—C325—N310	0.3 (14)	C368—N324—C372—C371	0 (3)
C324—N308—C325—C327	−178.7 (8)	C7A—C4A—C3A—C2A	−177.8 (12)
C324—N309—C326—N310	−6.0 (16)	C7A—C4A—C5A—C6A	178.0 (13)
C324—N309—C326—C334	172.4 (9)	C7A—C4A—C5A—C13A	0 (2)
C324—C321—C320—C319	−176.8 (11)	C7A—C8A—C9A—C10A	−3 (3)
C324—C321—C322—C323	179.8 (13)	C7A—C12A—C11A—C10A	−2 (3)
C325—N308—C324—N309	0.9 (15)	C318—N306—C314—C315	−14 (3)
C325—N308—C324—C321	−177.1 (9)	C318—N306—C414—C415	40 (5)
C325—N310—C326—N309	6.9 (15)	C341—N313—C337—C338	1 (2)
C325—N310—C326—C334	−171.4 (9)	C5A—C4A—C3A—C2A	1 (2)
C325—C327—C331—C330	−178.8 (11)	C5A—C4A—C7A—C8A	110.6 (17)
C325—C327—C328—C329	177.8 (12)	C5A—C4A—C7A—C12A	−73 (2)
C352—C351—C350—N318	−0.3 (16)	C302—C303—C304—C305	0 (3)
C352—C353—C354—N318	−1 (2)	C346—C345—C349—C348	4.5 (17)
N324—C372—C371—C370	0 (3)	C2A—C1A—C6A—C5A	0 (2)
C327—C331—C330—N312	3 (2)	C301—N301—C305—C304	−5 (3)
C327—C328—C329—N312	−1 (2)	C8A—C7A—C12A—O3A	179.0 (14)
C334—C335—C336—N311	−0.6 (19)	C8A—C7A—C12A—C11A	0 (2)
C334—C333—C332—N311	−3 (2)	C372—N324—C368—C369	0 (2)
C326—N309—C324—N308	1.7 (15)	C6A—C5A—C13A—O1A	22 (3)
C326—N309—C324—C321	179.7 (9)	C6A—C1A—C2A—C3A	0 (2)
C326—N310—C325—N308	−3.9 (15)	C371—C370—C369—C368	0 (2)
C326—N310—C325—C327	175.1 (9)	C12A—C7A—C8A—O2A	179.4 (14)
C326—C334—C335—C336	177.9 (11)	C12A—C7A—C8A—C9A	2 (2)
C326—C334—C333—C332	−176.2 (12)	C347—N317—C348—C349	−0.5 (19)
C343—N316—C344—N314	−2.6 (12)	C305—N301—C301—C302	7 (3)
C343—N316—C344—C352	176.7 (8)	C304—C303—C302—C301	2 (3)
C343—N315—C342—N314	−1.5 (14)	C11A—C10A—C9A—C8A	1 (3)
C343—N315—C342—C339	179.8 (8)	C14A—O2A—C8A—C7A	−174.1 (14)
C343—C345—C349—C348	−176.9 (9)	C14A—O2A—C8A—C9A	3 (2)
C343—C345—C346—C347	175.0 (13)	C13A—C5A—C6A—C1A	177.6 (16)
N302—C308—C316—C317	−164.8 (13)	C9A—C10A—C11A—C12A	2 (3)
N302—C308—C316—C315	26.7 (19)	C315—C316—C317—C318	−9 (2)
N302—C308—C316—C415	−33 (3)	C314—N306—C318—C317	13 (2)
N302—C306—C303—C302	164.6 (14)	C15A—O3A—C12A—C7A	−179.0 (18)
N302—C306—C303—C304	−15 (2)	C15A—O3A—C12A—C11A	0 (3)
C321—C320—C319—N307	−1.1 (19)	Zn36—N318—C350—C351	−172.9 (9)
C321—C322—C323—N307	−5 (3)	Zn36—N318—C354—C353	173.3 (11)
C344—N316—C343—N315	3.8 (13)	Zn36—N319—C355—C356	177.1 (13)
C344—N316—C343—C345	−174.6 (8)	Zn36—N319—C359—C358	−174.6 (12)
C344—N314—C342—N315	2.5 (14)	Zn43^iv—N305—C312—C313	171.6 (8)
C344—N314—C342—C339	−178.8 (8)	Zn43^iv—N305—C311—C310	−171.2 (11)
C344—C352—C351—C350	177.4 (9)	Zn43—N312—C329—C328	178.2 (11)
C344—C352—C353—C354	−176.8 (11)	Zn43—N312—C330—C331	−179.3 (11)
C309—C313—C312—N305	−0.1 (15)	Zn35^vi—N324—C368—C369	176.9 (11)
C309—C310—C311—N305	−1 (2)	Zn35^vi—N324—C372—C371	−177.0 (16)
C307—N304—C308—N302	−0.4 (16)	Zn35—N317—C348—C349	169.1 (9)
C307—N304—C308—C316	175.6 (9)	Zn35—N317—C347—C346	−172.1 (15)
C307—N303—C306—N302	−1.8 (18)	Zn41^v—N323—C365—C364	−176.5 (12)
C307—N303—C306—C303	178.6 (10)	Zn41^v—N323—C366—C367	175.4 (13)
C307—C309—C313—C312	−175.3 (9)	Zn41—N301—C301—C302	178.3 (16)
C307—C309—C310—C311	176.0 (11)	Zn41—N301—C305—C304	−174.2 (17)
C345—C349—C348—N317	−1.0 (17)	Zn42—N307—C319—C320	−171.9 (10)
C345—C346—C347—N317	5 (3)	Zn42—N307—C323—C322	175.4 (13)
C360—N320—C362—N322	−0.6 (17)	Zn42—N306—C318—C317	176.9 (11)
C360—N320—C362—C370	−179.2 (10)	Zn42—N306—C414—C415	−179 (3)
C360—N321—C361—N322	−4.1 (17)	Zn34—N311—C336—C335	−179.4 (9)
C360—N321—C361—C363	174.5 (11)	Zn34—N311—C332—C333	−178.8 (11)
C360—C357—C358—C359	177.0 (13)	Zn34—N313—C337—C338	−175.8 (11)
C360—C357—C356—C355	−174.7 (13)	Zn34—N313—C341—C340	176.9 (12)
C308—N304—C307—N303	2.6 (15)	C415—C316—C317—C318	42 (2)
C308—N304—C307—C309	−175.6 (9)	C414—N306—C318—C317	−42 (3)
C308—N302—C306—N303	3.7 (19)	C4B—C3B—C2B—C1B	0.0
C308—N302—C306—C303	−176.6 (11)	C4B—C5B—C13B—O1B	−157 (5)
C308—C316—C317—C318	−177.6 (13)	C4B—C7B—C8B—O2B	16 (3)
C308—C316—C315—C314	176.2 (18)	C4B—C7B—C8B—C9B	−166 (3)
C308—C316—C415—C414	176 (3)	C4B—C7B—C12B—C11B	166 (3)
C357—C358—C359—N319	−2 (2)	C4B—C7B—C12B—O3B	−9 (4)
C357—C356—C355—N319	−3 (3)	C3B—C4B—C5B—C6B	0.0
C320—C321—C322—C323	5 (2)	C3B—C4B—C5B—C13B	−177 (2)
N301—C305—C304—C303	2 (3)	C3B—C4B—C7B—C8B	−94 (3)
C313—C309—C307—N304	10.8 (14)	C3B—C4B—C7B—C12B	100 (3)
C313—C309—C307—N303	−167.5 (10)	C3B—C2B—C1B—C6B	0.0
C313—C309—C310—C311	−1.8 (18)	C2B—C1B—C6B—C5B	0.0
O3A—C12A—C11A—C10A	179.0 (16)	C1B—C6B—C5B—C4B	0.0
C316—C317—C318—N306	−1 (2)	C1B—C6B—C5B—C13B	177 (2)
C316—C315—C314—N306	5 (3)	C6B—C5B—C13B—O1B	26 (6)
C316—C415—C414—N306	2 (7)	C5B—C4B—C3B—C2B	0.0
C362—N320—C360—N321	4.2 (17)	C5B—C4B—C7B—C8B	77 (3)
C362—N320—C360—C357	−175.3 (10)	C5B—C4B—C7B—C12B	−90 (2)
C362—N322—C361—N321	7.2 (17)	O2B—C8B—C9B—C10B	178 (3)
C362—N322—C361—C363	−171.4 (10)	C7B—C4B—C3B—C2B	171 (3)
C362—C370—C369—C368	−179.8 (12)	C7B—C4B—C5B—C6B	−171 (3)
C362—C370—C371—C372	179.9 (15)	C7B—C4B—C5B—C13B	12 (3)
C339—C340—C341—N313	0 (2)	C7B—C8B—C9B—C10B	0.0
O2A—C8A—C9A—C10A	−179.4 (16)	C7B—C12B—O3B—C15B	175 (7)
C351—C352—C344—N316	173.4 (9)	C8B—C7B—C12B—C11B	0.0
C351—C352—C344—N314	−7.2 (13)	C8B—C7B—C12B—O3B	−175 (3)
C351—C352—C353—C354	5.2 (18)	C8B—C9B—C10B—C11B	0.0
C335—C334—C326—N309	169.2 (10)	C9B—C10B—C11B—C12B	0.0
C335—C334—C326—N310	−12.3 (16)	C10B—C11B—C12B—C7B	0.0
C335—C334—C333—C332	4.4 (19)	C10B—C11B—C12B—O3B	174 (4)
C331—C327—C328—C329	1.1 (19)	C11B—C12B—O3B—C15B	0 (8)
C328—C327—C331—C330	−2.0 (19)	C12B—C7B—C8B—O2B	−178 (2)
C349—C345—C346—C347	−6 (2)	C12B—C7B—C8B—C9B	0.0
C363—C367—C366—N323	0 (3)	C809—C808—C807—C812	57 (4)
C363—C364—C365—N323	0 (2)	C808—C809—C810—C811	57 (5)
C342—N314—C344—N316	−0.2 (13)	C808—C807—C812—C811	−56 (4)
C342—N314—C344—C352	−179.5 (8)	C807—C812—C811—C810	56 (4)
C342—N315—C343—N316	−1.9 (14)	C812—C811—C810—C809	−57 (5)
C342—N315—C343—C345	176.4 (8)	C810—C809—C808—C807	−57 (5)
C342—C339—C340—C341	179.5 (12)	C816—C815—C814—C813	63 (6)
C342—C339—C338—C337	−178.5 (12)	C815—C816—C817—C818	−2 (9)
C370—C369—C368—N324	0 (2)	C815—C814—C813—C818	−4 (8)
C350—N318—C354—C353	−4.0 (19)	C814—C813—C818—C817	−57 (6)
C306—N303—C307—N304	−1.6 (16)	C813—C818—C817—C816	61 (6)
C306—N303—C307—C309	176.5 (9)	C817—C816—C815—C814	−59 (6)
C306—N302—C308—N304	−2.5 (18)	C802—C801—C806—C805	56 (4)
C306—N302—C308—C316	−178.4 (11)	C801—C802—C803—C804	57 (4)
C306—C303—C302—C301	−177.1 (15)	C801—C806—C805—C804	−55 (4)
C306—C303—C304—C305	179.1 (17)	C806—C805—C804—C803	56 (4)
C336—N311—C332—C333	0 (2)	C805—C804—C803—C802	−56 (4)
C333—C334—C326—N309	−10.1 (16)	C803—C802—C801—C806	−57 (4)
C333—C334—C326—N310	168.3 (11)	C822—C821—C820—C819	51 (5)
C333—C334—C335—C336	−2.7 (17)	C821—C822—C823—C824	56 (4)
C329—N312—C330—C331	−2 (2)	C821—C820—C819—C824	−46 (5)
C319—N307—C323—C322	2 (2)	C820—C819—C824—C823	46 (5)
C361—N321—C360—N320	−2.1 (18)	C819—C824—C823—C822	−51 (5)
C361—N321—C360—C357	177.5 (10)	C823—C822—C821—C820	−56 (4)
C361—N322—C362—N320	−4.7 (17)	C14B—O2B—C8B—C7B	−171 (6)
C361—N322—C362—C370	174.0 (10)	C14B—O2B—C8B—C9B	11 (6)

Symmetry codes: (i) x−1/2, −y, z−1/2; (ii) x+1/2, −y+1, z+1/2; (iii) x, y−1, z+1; (iv) x+1/2, −y, z+1/2; (v) x, y+1, z−1; (vi) x−1/2, −y+1, z−1/2.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (50_10_96b)

Crystal data

C72H48I12N24Zn6·0.858(C15H16O3)·0.54(C6H12)	F(000) = 6406
Mr = 3419.30	Dx = 1.429 Mg m^−3
Monoclinic, P2/n	Cu Kα radiation, λ = 1.54184 Å
a = 31.5313 (6) Å	Cell parameters from 19361 reflections
b = 15.0299 (2) Å	θ = 2.7–72.7°
c = 34.2616 (5) Å	µ = 19.61 mm^−1
β = 101.863 (2)°	T = 100 K
V = 15890.2 (5) Å^3	Block, light yellow
Z = 4	0.26 × 0.15 × 0.1 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	28957 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	21316 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.037
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 1.7°
profile data from ω–scans	h = −37→37
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −18→17
Tmin = 0.057, Tmax = 0.278	l = −41→35
103014 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.080	H-atom parameters constrained
wR(F^2) = 0.280	w = 1/[σ^2(Fo^2) + (0.160P)^2 + 58.490P] where P = (Fo^2 + 2Fc^2)/3
S = 1.03	(Δ/σ)max = 0.002
28957 reflections	Δρmax = 1.44 e Å^−3
1617 parameters	Δρmin = −1.31 e Å^−3
718 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). Exchange site B was located over a two-fold symmetry axis and was modelled in PART -1. Multiple solvent molecules were located over two-fold symmetry sites or were determined to have a low occupancy, these were modelled isotropic to prevent over-expansion of thermal ellipsoids. During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I308	0.41456 (9)	0.0050 (2)	0.64868 (15)	0.0829 (7)	0.5256
I302	0.11576 (16)	0.6106 (4)	−0.23730 (16)	0.139 (2)	0.5447
I403	0.3932 (3)	0.5126 (5)	0.1393 (3)	0.186 (4)	0.4825
I301	0.06201 (11)	0.5359 (2)	−0.12855 (13)	0.0980 (9)	0.5447
I312	0.22383 (7)	0.46209 (16)	0.90068 (9)	0.0894 (10)	0.558 (13)
I311	0.3280 (2)	0.4577 (3)	1.00633 (16)	0.218 (4)	0.558 (13)
I309	0.64068 (17)	0.8931 (4)	0.7722 (2)	0.0865 (10)	0.4604
I306	0.29634 (6)	0.98069 (15)	0.49095 (7)	0.0782 (4)	0.5908
I307	0.51527 (11)	0.1652 (4)	0.60315 (14)	0.1013 (10)	0.5256
I404	0.5008 (2)	0.6564 (7)	0.09872 (19)	0.199 (4)	0.4825
I305	0.19899 (6)	0.90476 (13)	0.38357 (7)	0.0896 (6)	0.5908
I310	0.56801 (13)	0.9964 (2)	0.86423 (10)	0.0859 (7)	0.4604
Zn31	0.09039 (17)	0.6462 (4)	−0.17404 (15)	0.069 (2)	0.5447
Zn34	0.44660 (15)	0.1510 (4)	0.63027 (14)	0.0645 (16)	0.5256
Zn42	0.42947 (14)	0.6518 (4)	0.12034 (16)	0.065 (2)	0.4825
Zn35	0.6045 (3)	0.8750 (6)	0.8300 (3)	0.0685 (17)	0.4604
Zn36	0.2942 (3)	0.4007 (4)	0.9389 (2)	0.155 (4)	0.558 (13)
Zn33	0.27286 (12)	0.8870 (3)	0.42867 (13)	0.0673 (8)	0.5908
N302	0.2708 (2)	0.8095 (4)	−0.0385 (2)	0.0586 (16)
N320	0.4826 (2)	0.4832 (4)	0.7781 (2)	0.0622 (18)
N311	0.5431 (3)	1.2574 (5)	0.3129 (3)	0.071 (2)
N304	0.3105 (2)	0.9419 (4)	−0.0217 (2)	0.0630 (19)
N303	0.2513 (2)	0.9408 (4)	−0.0765 (2)	0.0570 (16)
N321	0.4273 (3)	0.3996 (5)	0.7977 (2)	0.0658 (19)
N309	0.4636 (3)	0.9758 (5)	0.2711 (2)	0.0650 (18)
N322	0.4518 (3)	0.5334 (5)	0.8315 (2)	0.072 (2)
N316	0.2763 (3)	0.2992 (4)	0.4785 (2)	0.069 (2)
N310	0.4331 (3)	1.0246 (6)	0.3250 (2)	0.0697 (19)
N314	0.3115 (3)	0.4367 (5)	0.4942 (2)	0.073 (2)
N301	0.1394 (3)	0.7158 (5)	−0.1383 (3)	0.076 (2)
N319	0.4553 (3)	0.2313 (6)	0.6802 (2)	0.075 (2)
N315	0.2546 (3)	0.4257 (5)	0.4380 (2)	0.072 (2)
N305	0.2910 (3)	1.2636 (5)	−0.0591 (3)	0.079 (2)
N308	0.4069 (4)	0.8942 (6)	0.2899 (3)	0.082 (2)
N324	0.5583 (3)	0.7731 (6)	0.8189 (3)	0.086 (3)
N313	0.2805 (3)	0.7522 (6)	0.4438 (3)	0.080 (2)
N323	0.3402 (3)	0.4211 (6)	0.9039 (3)	0.083 (2)
N318	0.3989 (3)	0.2186 (5)	0.5910 (3)	0.083 (3)
N306	0.3861 (3)	0.7193 (5)	0.0775 (2)	0.083 (3)
N317	0.1490 (3)	0.1947 (5)	0.3740 (3)	0.085 (3)
N307	0.4337 (3)	0.7325 (6)	0.1697 (2)	0.078 (2)
C357	0.4567 (3)	0.3485 (6)	0.7419 (3)	0.065 (2)
C325	0.4593 (3)	1.0333 (6)	0.3002 (3)	0.062 (2)
C361	0.4787 (3)	0.5405 (6)	0.8067 (3)	0.067 (2)
C360	0.4553 (3)	0.4124 (6)	0.7752 (3)	0.060 (2)
C363	0.5054 (3)	0.6230 (6)	0.8101 (3)	0.067 (2)
C327	0.4877 (3)	1.1142 (6)	0.3037 (3)	0.064 (2)
C306	0.2464 (3)	0.8558 (5)	−0.0680 (2)	0.057 (2)
C309	0.2872 (3)	1.0800 (5)	−0.0548 (3)	0.0587 (19)
C308	0.3032 (3)	0.8560 (5)	−0.0169 (3)	0.060 (2)
C307	0.2828 (3)	0.9818 (5)	−0.0508 (3)	0.061 (2)
C324	0.4355 (3)	0.9070 (6)	0.2673 (3)	0.071 (2)
C359	0.4323 (3)	0.2158 (8)	0.7071 (4)	0.082 (3)
H359	0.415309	0.163072	0.704875	0.099*
C303	0.2094 (3)	0.8057 (5)	−0.0932 (3)	0.063 (2)
C343	0.2510 (3)	0.3396 (6)	0.4475 (3)	0.068 (2)
C344	0.3070 (3)	0.3494 (6)	0.4992 (3)	0.071 (2)
C316	0.3322 (3)	0.8075 (6)	0.0156 (3)	0.066 (2)
C328	0.5104 (3)	1.1358 (6)	0.2754 (3)	0.069 (2)
H328	0.507128	1.101016	0.251833	0.083*
C339	0.2839 (3)	0.5691 (6)	0.4565 (3)	0.070 (2)
C370	0.3963 (3)	0.4473 (6)	0.8534 (3)	0.072 (3)
C342	0.2846 (3)	0.4715 (6)	0.4638 (3)	0.067 (2)
C311	0.2675 (3)	1.2178 (6)	−0.0882 (3)	0.072 (2)
H311	0.252318	1.249214	−0.110883	0.086*
C310	0.2636 (3)	1.1267 (6)	−0.0879 (3)	0.071 (2)
H310	0.245629	1.096211	−0.109349	0.086*
O2A	0.6088 (3)	0.9261 (7)	0.2328 (4)	0.086 (3)	0.6576
N312	0.3212 (4)	0.9065 (7)	0.3968 (3)	0.101 (3)
C321	0.4356 (4)	0.8454 (6)	0.2342 (3)	0.071 (2)
C364	0.5309 (4)	0.6413 (7)	0.7840 (3)	0.077 (3)
H364	0.530909	0.603058	0.761969	0.093*
O3A	0.7450 (4)	0.9719 (8)	0.3155 (3)	0.092 (4)	0.6576
C352	0.3384 (4)	0.3047 (6)	0.5321 (3)	0.077 (3)
C356	0.4817 (4)	0.3614 (7)	0.7161 (3)	0.085 (3)
H356	0.500548	0.411310	0.719073	0.101*
C305	0.1665 (3)	0.6755 (6)	−0.1078 (4)	0.087 (3)
H305	0.161363	0.615193	−0.101906	0.104*
C349	0.2091 (4)	0.2004 (7)	0.4287 (3)	0.081 (3)
H349	0.227629	0.170400	0.450038	0.098*
C365	0.5576 (3)	0.7178 (7)	0.7897 (3)	0.077 (3)
H365	0.575861	0.729124	0.771416	0.092*
C315	0.3237 (3)	0.7230 (6)	0.0255 (3)	0.074 (3)
H315	0.299020	0.692808	0.010849	0.089*
C345	0.2158 (3)	0.2877 (6)	0.4219 (3)	0.071 (3)
C302	0.1814 (4)	0.8482 (6)	−0.1241 (3)	0.080 (3)
H302	0.185649	0.908971	−0.129751	0.095*
C358	0.4315 (3)	0.2734 (7)	0.7394 (3)	0.077 (3)
H358	0.414294	0.260949	0.758485	0.093*
C314	0.3506 (4)	0.6805 (6)	0.0569 (3)	0.077 (3)
H314	0.343591	0.621965	0.063931	0.092*
C304	0.2012 (3)	0.7185 (6)	−0.0852 (3)	0.082 (3)
H304	0.219600	0.688100	−0.064010	0.098*
O1A	0.7097 (3)	0.7619 (8)	0.1923 (3)	0.089 (3)	0.6576
H1AA	0.708976	0.711293	0.202578	0.133*	0.6576
C329	0.5383 (3)	1.2077 (6)	0.2805 (3)	0.070 (2)
H329	0.554228	1.221401	0.260515	0.084*
C362	0.4272 (3)	0.4611 (7)	0.8263 (3)	0.070 (2)
C334	0.3778 (4)	0.9384 (8)	0.3465 (4)	0.089 (3)
C312	0.3139 (4)	1.2206 (7)	−0.0284 (3)	0.088 (3)
H312	0.332142	1.253316	−0.007909	0.106*
C326	0.4073 (4)	0.9525 (7)	0.3190 (3)	0.079 (3)
C353	0.3346 (4)	0.2164 (7)	0.5397 (3)	0.085 (3)
H353	0.311530	0.183160	0.524147	0.102*
C320	0.4678 (4)	0.8412 (8)	0.2152 (4)	0.091 (4)
H320	0.492507	0.877942	0.223795	0.110*
C301	0.1475 (4)	0.8016 (6)	−0.1463 (3)	0.084 (3)
H301	0.129054	0.830388	−0.168070	0.101*
C317	0.3691 (4)	0.8488 (7)	0.0375 (3)	0.094 (4)
H317	0.375904	0.908274	0.031622	0.113*
C331	0.4914 (4)	1.1690 (7)	0.3368 (3)	0.084 (3)
H331	0.475052	1.158031	0.356694	0.101*
C351	0.3719 (4)	0.3532 (7)	0.5542 (4)	0.097 (4)
H351	0.374978	0.415205	0.550181	0.117*
C348	0.1753 (4)	0.1550 (7)	0.4048 (4)	0.086 (3)
H348	0.170669	0.094277	0.410338	0.103*
C369	0.3618 (5)	0.3912 (8)	0.8423 (4)	0.096 (4)
H369	0.356913	0.360175	0.817670	0.115*
C337	0.2584 (5)	0.6974 (7)	0.4171 (4)	0.097 (4)
H337	0.241575	0.721396	0.393256	0.117*
C355	0.4810 (4)	0.3026 (8)	0.6841 (3)	0.090 (3)
H355	0.498804	0.313593	0.665339	0.108*
C313	0.3121 (4)	1.1296 (7)	−0.0253 (3)	0.084 (3)
H313	0.328473	1.100801	−0.002361	0.101*
C354	0.3635 (4)	0.1748 (7)	0.5692 (3)	0.092 (4)
H354	0.359018	0.114046	0.574825	0.110*
C350	0.4017 (4)	0.3051 (7)	0.5836 (4)	0.097 (4)
H350	0.425299	0.337059	0.599069	0.116*
C338	0.2589 (4)	0.6055 (7)	0.4228 (4)	0.091 (4)
H338	0.241938	0.568149	0.403253	0.109*
C372	0.3743 (5)	0.4729 (9)	0.9138 (4)	0.097 (4)
H372	0.379019	0.502107	0.938943	0.116*
C341	0.3056 (4)	0.7203 (7)	0.4751 (4)	0.093 (3)
H341	0.322995	0.760031	0.493220	0.111*
C318	0.3957 (4)	0.8021 (6)	0.0680 (4)	0.101 (5)
H318	0.421280	0.829670	0.082394	0.122*
C371	0.4029 (5)	0.4867 (10)	0.8900 (4)	0.096 (4)
H371	0.427535	0.523520	0.898686	0.116*
C340	0.3080 (4)	0.6270 (7)	0.4836 (4)	0.087 (3)
H340	0.325914	0.605288	0.507441	0.104*
C330	0.5195 (4)	1.2402 (9)	0.3397 (4)	0.095 (4)
H330	0.522078	1.278544	0.362103	0.114*
C366	0.5328 (6)	0.7570 (10)	0.8438 (5)	0.123 (5)
H366	0.533893	0.796042	0.865736	0.148*
C368	0.3341 (5)	0.3816 (8)	0.8689 (4)	0.097 (4)
H368	0.309365	0.344444	0.861361	0.117*
C336	0.3558 (6)	0.9600 (10)	0.4071 (4)	0.111 (5)
H336	0.361389	0.985888	0.432968	0.134*
C335	0.3829 (5)	0.9788 (10)	0.3826 (4)	0.111 (5)
H335	0.405690	1.020486	0.390622	0.133*
C346	0.1892 (5)	0.3296 (7)	0.3911 (4)	0.116 (6)
H346	0.192784	0.390636	0.385397	0.140*
C319	0.4668 (4)	0.7838 (9)	0.1824 (4)	0.100 (4)
H319	0.490750	0.782597	0.169474	0.120*
C4A	0.6799 (4)	0.8548 (7)	0.2836 (4)	0.069 (3)	0.6576
C347	0.1567 (5)	0.2792 (8)	0.3687 (4)	0.121 (6)
H347	0.137933	0.308398	0.347339	0.145*
C367	0.5034 (5)	0.6832 (8)	0.8395 (4)	0.109 (5)
H367	0.483306	0.676458	0.856424	0.131*
C3A	0.6755 (4)	0.8276 (7)	0.3213 (4)	0.066 (3)	0.6576
H3A	0.672034	0.870710	0.340728	0.079*	0.6576
C333	0.3438 (6)	0.8782 (11)	0.3366 (5)	0.117 (5)
H333	0.339216	0.847412	0.311912	0.141*
C7A	0.6766 (4)	0.9533 (7)	0.2742 (4)	0.071 (4)	0.6576
C5A	0.6863 (4)	0.7925 (7)	0.2547 (4)	0.077 (4)	0.6576
C2A	0.6761 (4)	0.7373 (8)	0.3308 (5)	0.078 (4)	0.6576
H2A	0.671878	0.718661	0.356220	0.094*	0.6576
C1A	0.6828 (4)	0.6750 (9)	0.3028 (4)	0.086 (5)	0.6576
H1A	0.683664	0.613385	0.309185	0.104*	0.6576
C6A	0.6882 (4)	0.7026 (8)	0.2656 (5)	0.089 (5)	0.6576
H6A	0.693293	0.659254	0.246969	0.107*	0.6576
C12A	0.7101 (5)	1.0114 (8)	0.2913 (4)	0.084 (4)	0.6576
C332	0.3169 (6)	0.8633 (11)	0.3626 (5)	0.128 (6)
H332	0.294372	0.820544	0.355786	0.153*
C8A	0.6400 (4)	0.9869 (8)	0.2488 (5)	0.082 (4)	0.6576
C9A	0.6357 (6)	1.0780 (9)	0.2417 (5)	0.099 (6)	0.6576
H9A	0.609854	1.101524	0.225812	0.119*	0.6576
C11A	0.7063 (6)	1.1020 (8)	0.2829 (5)	0.101 (6)	0.6576
H11A	0.728890	1.141721	0.294191	0.121*	0.6576
C10A	0.6694 (6)	1.1335 (9)	0.2579 (5)	0.102 (6)	0.6576
H10A	0.667143	1.195155	0.251732	0.122*	0.6576
C13A	0.6900 (7)	0.8239 (10)	0.2135 (5)	0.095 (5)	0.6576
H13A	0.660661	0.837387	0.197919	0.114*	0.6576
H13B	0.707015	0.879724	0.216132	0.114*	0.6576
C15A	0.7820 (8)	1.0260 (15)	0.3292 (6)	0.112 (7)	0.6576
H15A	0.790556	1.055177	0.306433	0.167*	0.6576
H15B	0.805966	0.988831	0.343142	0.167*	0.6576
H15C	0.775123	1.071185	0.347550	0.167*	0.6576
C323	0.3976 (6)	0.7484 (14)	0.1834 (5)	0.095 (4)	0.653 (14)
H323	0.371116	0.723326	0.169415	0.114*	0.653 (14)
C322	0.3968 (6)	0.7991 (13)	0.2165 (5)	0.095 (4)	0.653 (14)
H322	0.371470	0.803215	0.227363	0.114*	0.653 (14)
I408	0.4165 (2)	0.0073 (3)	0.6400 (2)	0.148 (3)	0.4744
Zn44	0.4487 (2)	0.1569 (5)	0.6285 (2)	0.121 (4)	0.4744
I407	0.5145 (2)	0.1797 (6)	0.5992 (2)	0.170 (3)	0.4744
I303	0.39716 (18)	0.5035 (4)	0.1336 (2)	0.1008 (12)	0.4912
Zn32	0.4311 (3)	0.6516 (5)	0.1213 (2)	0.127 (4)	0.4912
I304	0.50180 (12)	0.6702 (5)	0.09899 (16)	0.1076 (12)	0.4912
I401	0.0654 (3)	0.5193 (5)	−0.1336 (3)	0.197 (4)	0.4078
Zn41	0.0900 (3)	0.6424 (6)	−0.1744 (2)	0.111 (5)	0.4078
I402	0.1219 (2)	0.6083 (4)	−0.23447 (14)	0.0855 (11)	0.4078
I410	0.56419 (18)	0.9791 (3)	0.87977 (15)	0.1504 (19)	0.504
Zn45	0.6005 (3)	0.8731 (6)	0.8382 (3)	0.095 (3)	0.504
I409	0.6320 (2)	0.9109 (4)	0.7785 (2)	0.126 (2)	0.504
I406	0.3177 (2)	0.9677 (3)	0.50579 (16)	0.161 (2)	0.3816
Zn43	0.2867 (4)	0.8912 (5)	0.4410 (3)	0.140 (5)	0.3816
I405	0.2111 (3)	0.9291 (4)	0.4006 (2)	0.196 (3)	0.3816
I411	0.32906 (10)	0.4642 (2)	1.00810 (8)	0.0842 (13)	0.442 (13)
Zn46	0.29578 (12)	0.4042 (3)	0.93938 (12)	0.0572 (15)	0.442 (13)
I412	0.2200 (2)	0.4527 (4)	0.9051 (3)	0.223 (5)	0.442 (13)
I503	0.4267 (11)	0.509 (2)	0.1200 (11)	0.080*	0.0262
Zn52	0.4414 (8)	0.675 (2)	0.1170 (5)	0.080*	0.0262
I504	0.5070 (11)	0.693 (3)	0.0865 (11)	0.080*	0.0262
I501	0.0797 (10)	0.5234 (19)	−0.1447 (8)	0.080*	0.0475
I502	0.1391 (7)	0.6062 (13)	−0.2466 (6)	0.080*	0.0475
Zn51	0.1115 (13)	0.640 (2)	−0.1842 (8)	0.080*	0.0475
I506	0.3547 (9)	0.940 (2)	0.5200 (8)	0.080*	0.0275
I505	0.2309 (9)	0.944 (2)	0.4301 (9)	0.080*	0.0275
Zn53	0.311 (2)	0.893 (5)	0.4639 (19)	0.080*	0.0275
I510	0.5918 (8)	0.9972 (15)	0.8501 (6)	0.080*	0.0356
I509	0.6436 (8)	0.8669 (17)	0.7526 (7)	0.080*	0.0356
Zn55	0.6220 (16)	0.863 (3)	0.8124 (14)	0.080*	0.0356
C14A	0.5707 (6)	0.9591 (17)	0.2078 (10)	0.145 (11)	0.6576
H14A	0.561305	0.917871	0.185580	0.217*	0.6576
H14B	0.576584	1.017543	0.197446	0.217*	0.6576
H14C	0.547808	0.964674	0.223181	0.217*	0.6576
C2	0.4222 (12)	0.7030 (18)	0.2029 (7)	0.095 (4)	0.347 (14)
H2	0.411812	0.643670	0.203143	0.114*	0.347 (14)
C03O	0.4245 (11)	0.7538 (15)	0.2365 (7)	0.095 (4)	0.347 (14)
H03O	0.419017	0.728971	0.260459	0.114*	0.347 (14)
C4B	0.2361 (10)	0.7607 (18)	0.2569 (8)	0.116 (11)	0.2
C5B	0.2614 (10)	0.755 (2)	0.2282 (8)	0.113 (11)	0.2
C6B	0.2789 (13)	0.832 (3)	0.2151 (12)	0.125 (14)	0.2
H6B	0.296167	0.827556	0.195478	0.150*	0.2
C1B	0.2709 (19)	0.914 (2)	0.2306 (17)	0.124 (15)	0.2
H1B	0.282827	0.966249	0.221564	0.149*	0.2
C2B	0.2456 (19)	0.9197 (18)	0.2592 (17)	0.123 (15)	0.2
H2B	0.240181	0.975982	0.269808	0.148*	0.2
C3B	0.2282 (14)	0.843 (2)	0.2724 (11)	0.118 (13)	0.2
H3B	0.210873	0.847023	0.291966	0.142*	0.2
C7B	0.2225 (9)	0.677 (2)	0.2747 (8)	0.126 (11)	0.2
C12B	0.1831 (9)	0.638 (2)	0.2577 (10)	0.129 (13)	0.2
C11B	0.1727 (12)	0.555 (3)	0.2705 (12)	0.132 (14)	0.2
H11B	0.145746	0.527888	0.258967	0.159*	0.2
C10B	0.2017 (16)	0.510 (2)	0.3002 (13)	0.137 (15)	0.2
H10B	0.194613	0.453400	0.308952	0.164*	0.2
C9B	0.2411 (14)	0.550 (2)	0.3171 (11)	0.131 (14)	0.2
H9B	0.260974	0.519431	0.337421	0.157*	0.2
C8B	0.2515 (10)	0.633 (2)	0.3043 (8)	0.115 (11)	0.2
O2B	0.2892 (11)	0.677 (3)	0.3198 (11)	0.122 (12)	0.2
C816	0.419 (2)	0.538 (4)	0.3136 (19)	0.127 (18)	0.16
H81A	0.442815	0.579762	0.323271	0.152*	0.16
H81B	0.400258	0.535074	0.333644	0.152*	0.16
C815	0.4371 (18)	0.445 (5)	0.308 (2)	0.136 (18)	0.16
H81C	0.456507	0.448342	0.288792	0.163*	0.16
H81D	0.454409	0.423793	0.333878	0.163*	0.16
C814	0.400 (2)	0.379 (3)	0.293 (2)	0.130 (18)	0.16
H81E	0.412889	0.320290	0.288324	0.156*	0.16
H81F	0.382767	0.370937	0.313511	0.156*	0.16
C813	0.371 (2)	0.410 (4)	0.2541 (19)	0.126 (17)	0.16
H81G	0.387047	0.406617	0.232200	0.151*	0.16
H81H	0.345581	0.370342	0.247427	0.151*	0.16
C818	0.3550 (17)	0.506 (4)	0.2567 (18)	0.117 (16)	0.16
H81I	0.333410	0.507240	0.274011	0.141*	0.16
H81J	0.340396	0.526171	0.229798	0.141*	0.16
C817	0.392 (2)	0.570 (3)	0.273 (2)	0.123 (17)	0.16
H81K	0.379743	0.629667	0.277129	0.147*	0.16
H81L	0.411124	0.576461	0.254071	0.147*	0.16
C807	0.1735 (11)	0.679 (3)	0.5951 (10)	0.080*	0.2052
H80A	0.192166	0.674886	0.575117	0.096*	0.2052
H80B	0.167709	0.617394	0.603199	0.096*	0.2052
C808	0.1306 (11)	0.725 (3)	0.5765 (8)	0.080*	0.2052
H80C	0.136696	0.784627	0.566915	0.096*	0.2052
H80D	0.115420	0.689874	0.553297	0.096*	0.2052
C809	0.1013 (9)	0.734 (3)	0.6070 (10)	0.080*	0.2052
H80E	0.073966	0.763477	0.594477	0.096*	0.2052
H80F	0.094107	0.673573	0.615739	0.096*	0.2052
C810	0.1242 (11)	0.787 (3)	0.6433 (10)	0.080*	0.2052
H81M	0.105668	0.789754	0.663374	0.096*	0.2052
H81N	0.128953	0.849047	0.635031	0.096*	0.2052
C811	0.1679 (11)	0.745 (3)	0.6620 (8)	0.080*	0.2052
H81O	0.183131	0.783079	0.683960	0.096*	0.2052
H81P	0.162709	0.686380	0.673498	0.096*	0.2052
C812	0.1970 (9)	0.732 (3)	0.6317 (10)	0.080*	0.2052
H81Q	0.223630	0.699332	0.644534	0.096*	0.2052
H81R	0.205768	0.790352	0.622917	0.096*	0.2052
C801	0.0539 (12)	0.316 (3)	0.4520 (15)	0.080*	0.1748
H80G	0.075154	0.309723	0.477501	0.096*	0.1748
H80H	0.069059	0.304009	0.429954	0.096*	0.1748
C802	0.0171 (15)	0.248 (2)	0.4506 (14)	0.080*	0.1748
H80I	−0.002685	0.250861	0.424091	0.096*	0.1748
H80J	0.029350	0.187615	0.454351	0.096*	0.1748
C803	−0.0085 (15)	0.268 (2)	0.4831 (14)	0.080*	0.1748
H80K	0.010849	0.261727	0.509695	0.096*	0.1748
H80L	−0.032424	0.224892	0.481311	0.096*	0.1748
C804	−0.0270 (12)	0.363 (3)	0.4786 (15)	0.080*	0.1748
H80M	−0.047847	0.368639	0.452824	0.096*	0.1748
H80N	−0.042698	0.375464	0.500278	0.096*	0.1748
C805	0.0098 (15)	0.431 (2)	0.4804 (14)	0.080*	0.1748
H80O	−0.002551	0.491322	0.476480	0.096*	0.1748
H80P	0.029213	0.428172	0.506994	0.096*	0.1748
C806	0.0359 (15)	0.411 (2)	0.4483 (14)	0.080*	0.1748
H80Q	0.060146	0.454087	0.450857	0.096*	0.1748
H80R	0.017056	0.419294	0.421560	0.096*	0.1748
O3B	0.1593 (15)	0.688 (3)	0.2268 (13)	0.145 (16)	0.2
C14B	0.322 (2)	0.632 (6)	0.348 (2)	0.17 (3)	0.2
H14D	0.344228	0.608758	0.334317	0.262*	0.2
H14E	0.309329	0.583529	0.360445	0.262*	0.2
H14F	0.335878	0.674712	0.368627	0.262*	0.2
C15B	0.125 (3)	0.643 (6)	0.200 (3)	0.18 (3)	0.2
H15D	0.122789	0.582024	0.208753	0.265*	0.2
H15E	0.131642	0.642981	0.172970	0.265*	0.2
H15F	0.097679	0.674495	0.199025	0.265*	0.2
O1B	0.3036 (17)	0.668 (5)	0.1904 (18)	0.19 (2)	0.2
H1BA	0.322489	0.631180	0.201010	0.279*	0.2
C13B	0.2685 (15)	0.667 (3)	0.2106 (12)	0.138 (14)	0.2
H13C	0.274363	0.621469	0.232130	0.166*	0.2
H13D	0.241737	0.648704	0.191659	0.166*	0.2

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I308	0.0853 (12)	0.0472 (11)	0.0955 (17)	0.0097 (8)	−0.0295 (10)	0.0047 (8)
I302	0.0648 (16)	0.110 (2)	0.209 (4)	0.0105 (11)	−0.0485 (17)	−0.099 (2)
I403	0.292 (8)	0.0449 (17)	0.149 (5)	−0.021 (3)	−0.125 (5)	0.007 (2)
I301	0.0809 (11)	0.0421 (13)	0.1525 (19)	−0.0075 (8)	−0.0188 (13)	0.0314 (10)
I312	0.0838 (14)	0.0370 (9)	0.1418 (19)	0.0027 (8)	0.0105 (12)	−0.0132 (9)
I311	0.406 (10)	0.092 (2)	0.204 (5)	−0.118 (4)	0.177 (6)	−0.085 (3)
I309	0.0706 (11)	0.072 (2)	0.1072 (18)	0.0004 (13)	−0.0038 (12)	0.0276 (16)
I306	0.0983 (9)	0.0476 (6)	0.0955 (11)	−0.0154 (6)	0.0354 (7)	−0.0113 (7)
I307	0.0917 (15)	0.126 (2)	0.0868 (15)	0.0348 (14)	0.0199 (12)	0.0084 (14)
I404	0.230 (6)	0.255 (7)	0.086 (3)	0.162 (5)	−0.029 (3)	0.000 (3)
I305	0.0815 (7)	0.0529 (9)	0.1248 (14)	0.0058 (6)	−0.0012 (8)	0.0114 (7)
I310	0.0895 (13)	0.0397 (11)	0.1101 (16)	−0.0026 (9)	−0.0225 (12)	−0.0045 (9)
Zn31	0.054 (3)	0.039 (3)	0.100 (4)	0.000 (2)	−0.012 (3)	0.000 (2)
Zn34	0.071 (3)	0.056 (3)	0.060 (3)	0.010 (2)	−0.004 (2)	−0.013 (2)
Zn42	0.070 (2)	0.055 (5)	0.054 (4)	0.022 (2)	−0.025 (2)	−0.011 (3)
Zn35	0.054 (2)	0.048 (3)	0.084 (3)	−0.0089 (18)	−0.0311 (19)	0.018 (2)
Zn36	0.260 (10)	0.031 (3)	0.200 (8)	−0.003 (3)	0.106 (7)	−0.007 (3)
Zn33	0.0722 (13)	0.0435 (15)	0.0871 (19)	−0.0062 (10)	0.0184 (13)	0.0021 (12)
N302	0.065 (4)	0.030 (3)	0.071 (4)	0.004 (3)	−0.008 (3)	−0.004 (3)
N320	0.062 (4)	0.039 (3)	0.071 (4)	0.000 (3)	−0.018 (3)	−0.002 (3)
N311	0.065 (4)	0.050 (4)	0.081 (5)	0.002 (3)	−0.026 (4)	0.000 (4)
N304	0.074 (4)	0.033 (3)	0.067 (4)	−0.001 (3)	−0.022 (3)	−0.005 (3)
N303	0.062 (4)	0.035 (3)	0.063 (4)	−0.001 (3)	−0.012 (3)	−0.006 (3)
N321	0.071 (4)	0.049 (4)	0.063 (4)	−0.007 (3)	−0.019 (4)	0.000 (3)
N309	0.071 (4)	0.048 (4)	0.067 (4)	−0.002 (3)	−0.007 (3)	−0.006 (3)
N322	0.077 (5)	0.050 (4)	0.075 (5)	−0.005 (4)	−0.016 (4)	0.004 (3)
N316	0.080 (5)	0.034 (3)	0.074 (4)	0.003 (3)	−0.029 (4)	−0.005 (3)
N310	0.075 (5)	0.065 (5)	0.064 (4)	−0.002 (4)	0.002 (4)	−0.004 (4)
N314	0.086 (5)	0.035 (3)	0.081 (5)	0.000 (3)	−0.021 (4)	−0.006 (3)
N301	0.069 (4)	0.036 (3)	0.099 (5)	0.004 (3)	−0.036 (4)	−0.008 (3)
N319	0.081 (5)	0.068 (5)	0.063 (4)	−0.009 (4)	−0.019 (4)	−0.007 (4)
N315	0.081 (5)	0.042 (4)	0.077 (5)	0.003 (3)	−0.018 (4)	−0.004 (3)
N305	0.113 (7)	0.038 (4)	0.079 (5)	−0.002 (4)	0.001 (5)	−0.003 (3)
N308	0.114 (7)	0.056 (5)	0.077 (5)	−0.020 (5)	0.018 (5)	−0.014 (4)
N324	0.080 (6)	0.065 (5)	0.099 (6)	−0.011 (4)	−0.014 (5)	−0.008 (5)
N313	0.096 (6)	0.051 (4)	0.090 (6)	−0.004 (4)	0.012 (5)	0.002 (4)
N323	0.109 (7)	0.046 (4)	0.092 (6)	−0.001 (4)	0.017 (5)	−0.006 (4)
N318	0.100 (6)	0.043 (4)	0.087 (5)	0.009 (4)	−0.030 (5)	−0.010 (4)
N306	0.105 (6)	0.048 (4)	0.072 (4)	0.015 (4)	−0.039 (4)	−0.014 (3)
N317	0.087 (5)	0.041 (4)	0.104 (6)	0.006 (4)	−0.034 (5)	−0.010 (4)
N307	0.091 (6)	0.058 (5)	0.071 (5)	−0.012 (4)	−0.018 (4)	−0.011 (4)
C357	0.071 (5)	0.046 (4)	0.065 (5)	−0.005 (4)	−0.017 (4)	0.002 (4)
C325	0.064 (5)	0.051 (5)	0.061 (5)	−0.005 (4)	−0.008 (4)	−0.007 (4)
C361	0.067 (5)	0.051 (5)	0.067 (5)	0.000 (4)	−0.021 (4)	0.001 (4)
C360	0.058 (4)	0.047 (4)	0.058 (4)	0.001 (4)	−0.022 (4)	0.002 (3)
C363	0.060 (5)	0.043 (4)	0.086 (6)	−0.003 (4)	−0.013 (4)	0.000 (4)
C327	0.067 (5)	0.049 (5)	0.063 (5)	0.002 (4)	−0.017 (4)	−0.002 (4)
C306	0.058 (4)	0.036 (4)	0.063 (4)	0.005 (3)	−0.020 (4)	−0.010 (3)
C309	0.068 (5)	0.036 (4)	0.064 (4)	−0.002 (3)	−0.005 (4)	−0.003 (3)
C308	0.064 (5)	0.041 (4)	0.064 (5)	0.001 (3)	−0.014 (4)	−0.011 (3)
C307	0.069 (5)	0.032 (4)	0.071 (5)	0.001 (3)	−0.007 (4)	−0.005 (3)
C324	0.079 (6)	0.053 (5)	0.076 (6)	−0.014 (4)	0.005 (5)	−0.015 (4)
C359	0.070 (6)	0.068 (6)	0.092 (7)	−0.004 (5)	−0.024 (6)	−0.016 (5)
C303	0.065 (5)	0.035 (4)	0.076 (5)	0.002 (3)	−0.017 (4)	−0.010 (3)
C343	0.075 (5)	0.042 (4)	0.073 (5)	−0.001 (4)	−0.019 (4)	−0.013 (4)
C344	0.078 (6)	0.045 (5)	0.077 (5)	0.004 (4)	−0.015 (5)	−0.012 (4)
C316	0.073 (5)	0.042 (4)	0.069 (5)	0.004 (4)	−0.018 (4)	−0.012 (4)
C328	0.075 (6)	0.051 (5)	0.072 (5)	−0.006 (4)	−0.006 (5)	−0.005 (4)
C339	0.084 (6)	0.043 (4)	0.070 (5)	0.001 (4)	−0.014 (5)	−0.005 (4)
C370	0.079 (6)	0.048 (5)	0.075 (6)	−0.002 (4)	−0.014 (5)	−0.003 (4)
C342	0.075 (5)	0.040 (4)	0.076 (5)	−0.001 (4)	−0.010 (4)	−0.005 (4)
C311	0.084 (6)	0.040 (4)	0.081 (6)	0.003 (4)	−0.006 (5)	−0.001 (4)
C310	0.071 (5)	0.044 (4)	0.088 (6)	0.002 (4)	−0.009 (5)	−0.004 (4)
O2A	0.081 (7)	0.064 (6)	0.114 (8)	0.014 (5)	0.025 (6)	0.010 (6)
N312	0.135 (9)	0.074 (6)	0.106 (7)	−0.025 (6)	0.050 (7)	−0.005 (5)
C321	0.087 (7)	0.057 (5)	0.060 (5)	−0.008 (5)	−0.008 (5)	−0.008 (4)
C364	0.085 (6)	0.052 (5)	0.078 (6)	−0.011 (5)	−0.023 (5)	−0.003 (4)
O3A	0.129 (10)	0.076 (7)	0.067 (6)	−0.051 (7)	0.010 (6)	−0.014 (5)
C352	0.090 (7)	0.047 (5)	0.077 (6)	0.003 (4)	−0.023 (5)	−0.006 (4)
C356	0.108 (8)	0.064 (6)	0.074 (6)	−0.025 (6)	0.002 (6)	−0.014 (5)
C305	0.076 (6)	0.041 (5)	0.118 (8)	−0.004 (4)	−0.040 (6)	0.008 (5)
C349	0.081 (6)	0.050 (5)	0.096 (7)	−0.003 (5)	−0.020 (5)	−0.005 (5)
C365	0.076 (6)	0.061 (6)	0.079 (6)	−0.002 (5)	−0.017 (5)	0.011 (5)
C315	0.084 (6)	0.050 (5)	0.072 (5)	0.005 (4)	−0.023 (5)	−0.008 (4)
C345	0.071 (5)	0.044 (4)	0.080 (6)	0.000 (4)	−0.026 (4)	−0.014 (4)
C302	0.094 (7)	0.035 (4)	0.091 (6)	−0.002 (4)	−0.024 (5)	0.005 (4)
C358	0.071 (6)	0.065 (6)	0.084 (6)	−0.011 (5)	−0.014 (5)	−0.013 (5)
C314	0.096 (7)	0.041 (4)	0.073 (5)	0.009 (4)	−0.031 (5)	−0.007 (4)
C304	0.074 (6)	0.039 (4)	0.109 (7)	0.004 (4)	−0.037 (5)	0.008 (4)
O1A	0.067 (6)	0.084 (7)	0.109 (8)	−0.012 (5)	0.002 (6)	−0.046 (6)
C329	0.071 (5)	0.056 (5)	0.073 (5)	0.005 (4)	−0.007 (4)	0.007 (4)
C362	0.071 (5)	0.061 (5)	0.063 (5)	−0.001 (4)	−0.017 (4)	0.000 (4)
C334	0.106 (8)	0.072 (7)	0.088 (7)	−0.014 (6)	0.017 (6)	−0.003 (6)
C312	0.124 (9)	0.052 (5)	0.074 (6)	−0.019 (6)	−0.013 (6)	−0.015 (5)
C326	0.099 (7)	0.062 (6)	0.072 (6)	−0.017 (5)	0.005 (5)	0.001 (5)
C353	0.100 (7)	0.050 (5)	0.083 (6)	−0.009 (5)	−0.034 (6)	−0.008 (4)
C320	0.080 (7)	0.077 (7)	0.104 (8)	−0.016 (6)	−0.010 (6)	−0.041 (6)
C301	0.091 (7)	0.038 (4)	0.097 (7)	−0.006 (4)	−0.040 (6)	0.007 (4)
C317	0.099 (7)	0.045 (5)	0.103 (7)	0.000 (5)	−0.060 (6)	0.005 (5)
C331	0.103 (8)	0.060 (6)	0.084 (6)	−0.016 (5)	0.007 (6)	−0.023 (5)
C351	0.094 (7)	0.045 (5)	0.123 (9)	0.000 (5)	−0.046 (7)	−0.016 (5)
C348	0.080 (6)	0.047 (5)	0.111 (8)	−0.007 (5)	−0.026 (6)	−0.004 (5)
C369	0.110 (9)	0.072 (7)	0.107 (8)	−0.023 (6)	0.021 (7)	−0.033 (6)
C337	0.135 (11)	0.051 (6)	0.095 (7)	0.004 (6)	−0.003 (7)	0.002 (5)
C355	0.120 (9)	0.064 (6)	0.080 (6)	−0.027 (6)	0.009 (6)	−0.010 (5)
C313	0.109 (8)	0.048 (5)	0.079 (6)	−0.007 (5)	−0.020 (6)	−0.002 (4)
C354	0.105 (8)	0.053 (5)	0.095 (7)	−0.008 (5)	−0.031 (6)	−0.010 (5)
C350	0.099 (8)	0.043 (5)	0.118 (8)	0.003 (5)	−0.048 (7)	−0.018 (5)
C338	0.112 (8)	0.043 (5)	0.098 (7)	0.008 (5)	−0.023 (6)	0.001 (5)
C372	0.117 (10)	0.076 (7)	0.087 (7)	−0.009 (7)	−0.002 (7)	−0.007 (6)
C341	0.104 (8)	0.049 (5)	0.113 (9)	−0.014 (5)	−0.006 (7)	−0.024 (6)
C318	0.115 (9)	0.041 (5)	0.110 (8)	0.002 (5)	−0.065 (7)	0.003 (5)
C371	0.097 (8)	0.109 (10)	0.080 (7)	−0.015 (7)	0.011 (6)	−0.013 (6)
C340	0.098 (8)	0.050 (5)	0.099 (7)	−0.007 (5)	−0.012 (6)	−0.005 (5)
C330	0.097 (8)	0.084 (8)	0.098 (8)	−0.023 (7)	0.006 (7)	−0.039 (7)
C366	0.148 (13)	0.081 (9)	0.140 (12)	−0.037 (9)	0.028 (11)	−0.052 (9)
C368	0.107 (9)	0.070 (7)	0.115 (9)	−0.027 (6)	0.023 (8)	−0.032 (7)
C336	0.145 (13)	0.094 (10)	0.104 (9)	−0.019 (9)	0.049 (9)	−0.022 (8)
C335	0.124 (11)	0.107 (10)	0.111 (9)	−0.042 (9)	0.047 (9)	−0.039 (8)
C346	0.137 (10)	0.038 (5)	0.126 (9)	−0.001 (6)	−0.082 (9)	−0.002 (5)
C319	0.092 (8)	0.097 (9)	0.100 (8)	0.008 (7)	−0.007 (6)	−0.040 (7)
C4A	0.068 (7)	0.028 (6)	0.105 (10)	−0.004 (5)	0.004 (7)	−0.008 (6)
C347	0.125 (10)	0.061 (7)	0.131 (10)	−0.006 (6)	−0.079 (9)	0.002 (6)
C367	0.138 (11)	0.064 (7)	0.128 (10)	−0.035 (7)	0.035 (9)	−0.043 (7)
C3A	0.045 (6)	0.049 (7)	0.087 (8)	−0.008 (5)	−0.022 (6)	0.004 (6)
C333	0.136 (12)	0.107 (11)	0.114 (10)	−0.045 (10)	0.039 (9)	−0.026 (8)
C7A	0.099 (10)	0.032 (6)	0.086 (8)	−0.005 (6)	0.026 (8)	−0.008 (6)
C5A	0.068 (8)	0.045 (7)	0.109 (10)	−0.001 (6)	−0.002 (7)	−0.013 (7)
C2A	0.048 (6)	0.061 (8)	0.114 (11)	−0.007 (6)	−0.011 (7)	0.021 (8)
C1A	0.053 (7)	0.056 (8)	0.129 (13)	−0.004 (6)	−0.031 (8)	0.024 (9)
C6A	0.055 (7)	0.052 (8)	0.146 (14)	−0.003 (6)	−0.011 (9)	−0.028 (9)
C12A	0.137 (13)	0.048 (7)	0.074 (8)	−0.021 (8)	0.038 (9)	−0.013 (6)
C332	0.157 (14)	0.116 (12)	0.129 (12)	−0.061 (11)	0.072 (11)	−0.034 (10)
C8A	0.110 (11)	0.046 (7)	0.100 (10)	0.008 (7)	0.047 (9)	0.001 (7)
C9A	0.144 (15)	0.063 (9)	0.109 (12)	0.027 (10)	0.068 (11)	0.007 (9)
C11A	0.174 (18)	0.058 (9)	0.078 (10)	−0.033 (10)	0.042 (11)	−0.025 (7)
C10A	0.181 (18)	0.043 (8)	0.100 (12)	0.003 (10)	0.072 (12)	0.000 (8)
C13A	0.122 (14)	0.056 (9)	0.108 (12)	0.015 (9)	0.025 (11)	−0.017 (8)
C15A	0.148 (18)	0.103 (14)	0.091 (11)	−0.068 (14)	0.041 (12)	−0.031 (10)
C323	0.086 (8)	0.097 (9)	0.094 (8)	−0.029 (6)	−0.001 (6)	−0.042 (7)
C322	0.086 (8)	0.097 (9)	0.094 (8)	−0.029 (6)	−0.001 (6)	−0.042 (7)
I408	0.221 (5)	0.0434 (14)	0.126 (3)	0.0181 (17)	−0.088 (3)	0.0001 (14)
Zn44	0.157 (7)	0.055 (4)	0.106 (5)	0.024 (4)	−0.079 (4)	−0.013 (3)
I407	0.209 (5)	0.150 (4)	0.130 (4)	0.066 (3)	−0.013 (3)	−0.029 (3)
I303	0.144 (2)	0.0431 (16)	0.0843 (13)	0.0118 (15)	−0.0490 (16)	0.0002 (12)
Zn32	0.206 (8)	0.053 (5)	0.084 (6)	0.033 (4)	−0.057 (5)	−0.011 (4)
I304	0.0971 (18)	0.143 (3)	0.081 (2)	0.0612 (18)	0.0125 (16)	0.0222 (17)
I401	0.205 (6)	0.0423 (19)	0.254 (6)	−0.032 (2)	−0.163 (5)	0.053 (2)
Zn41	0.086 (6)	0.042 (5)	0.156 (8)	0.009 (4)	−0.087 (5)	−0.024 (4)
I402	0.063 (2)	0.0739 (19)	0.114 (2)	−0.0091 (14)	0.0073 (19)	−0.0378 (16)
I410	0.142 (2)	0.0580 (18)	0.224 (5)	−0.0023 (16)	−0.027 (3)	−0.039 (2)
Zn45	0.099 (5)	0.044 (3)	0.115 (6)	−0.002 (2)	−0.039 (3)	0.006 (3)
I409	0.135 (4)	0.083 (3)	0.130 (4)	−0.011 (2)	−0.047 (3)	0.038 (2)
I406	0.284 (7)	0.071 (2)	0.165 (5)	−0.070 (4)	0.130 (5)	−0.053 (3)
Zn43	0.255 (14)	0.035 (3)	0.153 (8)	0.001 (6)	0.092 (8)	0.000 (4)
I405	0.293 (8)	0.098 (3)	0.230 (7)	0.100 (4)	0.129 (6)	0.066 (4)
I411	0.122 (3)	0.0549 (15)	0.0760 (17)	−0.0361 (12)	0.0206 (15)	−0.0320 (11)
Zn46	0.070 (2)	0.032 (3)	0.069 (3)	−0.0106 (17)	0.0132 (19)	−0.0143 (18)
I412	0.272 (9)	0.071 (2)	0.383 (11)	0.078 (4)	0.199 (9)	0.071 (4)
C14A	0.067 (11)	0.099 (16)	0.26 (3)	0.015 (11)	0.008 (15)	0.048 (18)
C2	0.086 (8)	0.097 (9)	0.094 (8)	−0.029 (6)	−0.001 (6)	−0.042 (7)
C03O	0.086 (8)	0.097 (9)	0.094 (8)	−0.029 (6)	−0.001 (6)	−0.042 (7)
C4B	0.077 (19)	0.17 (2)	0.07 (2)	0.013 (18)	−0.051 (15)	0.039 (17)
C5B	0.073 (18)	0.16 (2)	0.07 (3)	0.01 (2)	−0.051 (15)	0.047 (18)
C6B	0.10 (3)	0.17 (3)	0.08 (3)	0.01 (2)	−0.034 (19)	0.05 (2)
C1B	0.09 (3)	0.17 (2)	0.10 (3)	−0.02 (3)	−0.02 (2)	0.04 (3)
C2B	0.09 (3)	0.17 (2)	0.08 (3)	−0.02 (2)	−0.03 (2)	0.03 (2)
C3B	0.09 (3)	0.17 (2)	0.08 (3)	−0.01 (2)	−0.032 (18)	0.03 (2)
C7B	0.13 (2)	0.16 (2)	0.08 (2)	0.016 (18)	0.006 (15)	0.017 (17)
C12B	0.13 (2)	0.14 (3)	0.11 (2)	0.014 (19)	0.004 (18)	0.00 (2)
C11B	0.15 (3)	0.14 (3)	0.10 (3)	0.01 (2)	0.01 (2)	0.00 (2)
C10B	0.16 (3)	0.15 (3)	0.09 (3)	0.00 (2)	0.01 (2)	0.00 (2)
C9B	0.16 (3)	0.15 (3)	0.08 (3)	0.01 (2)	0.02 (2)	0.01 (2)
C8B	0.14 (2)	0.14 (2)	0.06 (2)	0.025 (19)	0.017 (16)	0.008 (17)
O2B	0.15 (2)	0.13 (3)	0.074 (19)	0.03 (2)	0.001 (17)	−0.028 (19)
C816	0.11 (4)	0.14 (4)	0.15 (4)	0.00 (3)	0.07 (3)	0.02 (3)
C815	0.13 (4)	0.14 (4)	0.14 (4)	0.01 (3)	0.06 (3)	0.01 (3)
C814	0.13 (4)	0.15 (4)	0.13 (4)	0.02 (3)	0.07 (3)	−0.02 (3)
C813	0.13 (4)	0.14 (4)	0.13 (4)	0.02 (3)	0.07 (3)	−0.01 (3)
C818	0.11 (3)	0.14 (4)	0.13 (4)	0.01 (3)	0.09 (3)	−0.01 (3)
C817	0.11 (4)	0.14 (4)	0.15 (4)	0.00 (3)	0.08 (3)	0.01 (3)
O3B	0.14 (3)	0.13 (3)	0.14 (3)	−0.01 (2)	−0.03 (2)	0.01 (2)
C14B	0.17 (4)	0.23 (7)	0.10 (4)	0.05 (4)	−0.03 (4)	−0.02 (4)
C15B	0.15 (5)	0.16 (6)	0.18 (5)	−0.01 (4)	−0.05 (4)	−0.02 (5)
O1B	0.14 (4)	0.25 (6)	0.15 (4)	−0.02 (4)	−0.02 (3)	−0.06 (4)
C13B	0.10 (3)	0.18 (3)	0.10 (3)	0.02 (3)	−0.06 (2)	0.02 (2)

Geometric parameters (Å, º)

I308—Zn34	2.548 (6)	C337—H337	0.9500
I302—Zn31	2.517 (6)	C337—C338	1.395 (15)
I403—Zn42	2.534 (8)	C355—H355	0.9500
I301—Zn31	2.560 (5)	C313—H313	0.9500
I312—Zn36	2.508 (8)	C354—H354	0.9500
I311—Zn36	2.489 (8)	C350—H350	0.9500
I309—Zn35	2.496 (10)	C338—H338	0.9500
I306—Zn33	2.537 (5)	C372—H372	0.9500
I307—Zn34	2.535 (5)	C372—C371	1.353 (19)
I404—Zn42	2.509 (7)	C341—H341	0.9500
I305—Zn33	2.531 (4)	C341—C340	1.431 (15)
I310—Zn35	2.566 (9)	C318—H318	0.9500
Zn31—N311^i	2.061 (10)	C371—H371	0.9500
Zn31—N301	2.050 (8)	C340—H340	0.9500
Zn34—N319	2.065 (9)	C330—H330	0.9500
Zn34—N318	2.067 (9)	C366—H366	0.9500
Zn42—N306	2.056 (9)	C366—C367	1.434 (19)
Zn42—N307	2.061 (10)	C368—H368	0.9500
Zn35—N324	2.094 (12)	C336—H336	0.9500
Zn35—N317^ii	2.112 (13)	C336—C335	1.345 (19)
Zn36—N305^iii	2.065 (10)	C335—H335	0.9500
Zn36—N323	2.086 (13)	C346—H346	0.9500
Zn33—N313	2.093 (10)	C346—C347	1.374 (15)
Zn33—N312	2.072 (11)	C319—H319	0.9500
N302—C306	1.333 (10)	C4A—C3A	1.389 (12)
N302—C308	1.331 (10)	C4A—C7A	1.515 (12)
N320—C361	1.327 (12)	C4A—C5A	1.407 (12)
N320—C360	1.360 (11)	C347—H347	0.9500
N311—C329	1.321 (13)	C367—H367	0.9500
N311—C330	1.322 (16)	C3A—H3A	0.9500
N304—C308	1.328 (11)	C3A—C2A	1.394 (12)
N304—C307	1.326 (11)	C333—H333	0.9500
N303—C306	1.326 (10)	C333—C332	1.37 (2)
N303—C307	1.336 (10)	C7A—C12A	1.404 (12)
N321—C360	1.300 (13)	C7A—C8A	1.388 (13)
N321—C362	1.349 (13)	C5A—C6A	1.401 (12)
N309—C325	1.350 (12)	C5A—C13A	1.516 (15)
N309—C324	1.352 (12)	C2A—H2A	0.9500
N322—C361	1.321 (14)	C2A—C1A	1.388 (13)
N322—C362	1.326 (13)	C1A—H1A	0.9500
N316—C343	1.335 (11)	C1A—C6A	1.383 (13)
N316—C344	1.316 (11)	C6A—H6A	0.9500
N310—C325	1.305 (13)	C12A—C11A	1.391 (13)
N310—C326	1.347 (13)	C332—H332	0.9500
N314—C344	1.336 (12)	C8A—C9A	1.393 (13)
N314—C342	1.309 (12)	C9A—H9A	0.9500
N301—C305	1.350 (12)	C9A—C10A	1.373 (14)
N301—C301	1.353 (12)	C11A—H11A	0.9500
N301—Zn41	2.093 (10)	C11A—C10A	1.379 (14)
N301—Zn51	2.00 (3)	C10A—H10A	0.9500
N319—C359	1.309 (15)	C13A—H13A	0.9900
N319—C355	1.333 (14)	C13A—H13B	0.9900
N319—Zn44	2.067 (11)	C15A—H15A	0.9800
N315—C343	1.345 (12)	C15A—H15B	0.9800
N315—C342	1.345 (11)	C15A—H15C	0.9800
N305—C311	1.311 (12)	C323—H323	0.9500
N305—C312	1.315 (14)	C323—C322	1.37 (2)
N308—C324	1.317 (14)	C322—H322	0.9500
N308—C326	1.323 (14)	I408—Zn44	2.532 (9)
N324—C365	1.295 (15)	Zn44—I407	2.508 (10)
N324—C366	1.309 (19)	I303—Zn32	2.543 (8)
N324—Zn45	2.026 (12)	Zn32—I304	2.516 (9)
N324—Zn55	2.47 (5)	I401—Zn41	2.535 (9)
N313—C337	1.318 (15)	Zn41—I402	2.522 (10)
N313—C341	1.287 (15)	I410—Zn45	2.561 (9)
N313—Zn43	2.102 (11)	Zn45—I409	2.515 (10)
N313—Zn53	2.37 (7)	I406—Zn43	2.514 (10)
N323—C372	1.314 (16)	Zn43—I405	2.561 (12)
N323—C368	1.316 (15)	I411—Zn46	2.538 (4)
N323—Zn46	2.050 (11)	Zn46—I412	2.544 (7)
N318—C354	1.377 (13)	I503—Zn52	2.542 (18)
N318—C350	1.331 (14)	Zn52—I504	2.520 (17)
N318—Zn44	2.036 (10)	I501—Zn51	2.543 (17)
N306—C314	1.329 (13)	I502—Zn51	2.520 (17)
N306—C318	1.337 (14)	I506—Zn53	2.24 (7)
N306—Zn32	2.105 (10)	I505—Zn53	2.66 (7)
N306—Zn52	2.085 (19)	I510—Zn55	2.68 (5)
N317—C348	1.342 (13)	I509—Zn55	2.29 (5)
N317—C347	1.312 (15)	C14A—H14A	0.9800
N317—Zn45^iv	2.026 (14)	C14A—H14B	0.9800
N317—Zn55^iv	2.28 (5)	C14A—H14C	0.9800
N307—C319	1.299 (16)	C2—H2	0.9500
N307—C323	1.341 (19)	C2—C03O	1.37 (2)
N307—Zn32	2.042 (11)	C03O—H03O	0.9500
N307—Zn52	2.059 (19)	C4B—C5B	1.3900
N307—C2	1.34 (2)	C4B—C3B	1.3900
C357—C360	1.498 (13)	C4B—C7B	1.493 (19)
C357—C356	1.315 (16)	C5B—C6B	1.3900
C357—C358	1.374 (14)	C5B—C13B	1.49 (2)
C325—C327	1.500 (12)	C6B—H6B	0.9500
C361—C363	1.491 (13)	C6B—C1B	1.3900
C363—C364	1.346 (16)	C1B—H1B	0.9500
C363—C367	1.363 (16)	C1B—C2B	1.3900
C327—C328	1.358 (15)	C2B—H2B	0.9500
C327—C331	1.387 (14)	C2B—C3B	1.3900
C306—C303	1.502 (10)	C3B—H3B	0.9500
C309—C307	1.491 (11)	C7B—C12B	1.3900
C309—C310	1.410 (13)	C7B—C8B	1.3900
C309—C313	1.367 (13)	C12B—C11B	1.3900
C308—C316	1.479 (12)	C12B—O3B	1.388 (19)
C324—C321	1.466 (13)	C11B—H11B	0.9500
C359—H359	0.9500	C11B—C10B	1.3900
C359—C358	1.409 (15)	C10B—H10B	0.9500
C303—C302	1.386 (12)	C10B—C9B	1.3900
C303—C304	1.375 (13)	C9B—H9B	0.9500
C343—C345	1.485 (11)	C9B—C8B	1.3900
C344—C352	1.497 (13)	C8B—O2B	1.367 (19)
C316—C315	1.356 (14)	O2B—C14B	1.43 (2)
C316—C317	1.394 (13)	C816—H81A	0.9900
C328—H328	0.9500	C816—H81B	0.9900
C328—C329	1.381 (14)	C816—C815	1.536 (13)
C339—C342	1.487 (12)	C816—C817	1.538 (13)
C339—C338	1.371 (14)	C815—H81C	0.9900
C339—C340	1.382 (14)	C815—H81D	0.9900
C370—C362	1.491 (16)	C815—C814	1.535 (13)
C370—C369	1.368 (15)	C814—H81E	0.9900
C370—C371	1.363 (16)	C814—H81F	0.9900
C311—H311	0.9500	C814—C813	1.532 (13)
C311—C310	1.374 (13)	C813—H81G	0.9900
C310—H310	0.9500	C813—H81H	0.9900
O2A—C8A	1.370 (14)	C813—C818	1.530 (13)
O2A—C14A	1.415 (19)	C818—H81I	0.9900
N312—C336	1.342 (18)	C818—H81J	0.9900
N312—C332	1.323 (18)	C818—C817	1.532 (13)
N312—Zn43	2.053 (14)	C817—H81K	0.9900
N312—Zn53	2.40 (6)	C817—H81L	0.9900
C321—C320	1.315 (17)	C807—H80A	0.9900
C321—C322	1.429 (17)	C807—H80B	0.9900
C321—C03O	1.43 (2)	C807—C808	1.537 (13)
C364—H364	0.9500	C807—C812	1.540 (13)
C364—C365	1.416 (14)	C808—H80C	0.9900
O3A—C12A	1.369 (14)	C808—H80D	0.9900
O3A—C15A	1.421 (18)	C808—C809	1.536 (13)
C352—C353	1.362 (14)	C809—H80E	0.9900
C352—C351	1.377 (14)	C809—H80F	0.9900
C356—H356	0.9500	C809—C810	1.534 (13)
C356—C355	1.404 (16)	C810—H81M	0.9900
C305—H305	0.9500	C810—H81N	0.9900
C305—C304	1.364 (13)	C810—C811	1.535 (13)
C349—H349	0.9500	C811—H81O	0.9900
C349—C345	1.357 (14)	C811—H81P	0.9900
C349—C348	1.383 (13)	C811—C812	1.534 (13)
C365—H365	0.9500	C812—H81Q	0.9900
C315—H315	0.9500	C812—H81R	0.9900
C315—C314	1.382 (12)	C801—H80G	0.9900
C345—C346	1.361 (13)	C801—H80H	0.9900
C302—H302	0.9500	C801—C802	1.537 (13)
C302—C301	1.371 (13)	C801—C806	1.536 (13)
C358—H358	0.9500	C802—H80I	0.9900
C314—H314	0.9500	C802—H80J	0.9900
C304—H304	0.9500	C802—C803	1.534 (13)
O1A—H1AA	0.8400	C803—H80K	0.9900
O1A—C13A	1.400 (14)	C803—H80L	0.9900
C329—H329	0.9500	C803—C804	1.537 (13)
C334—C326	1.469 (17)	C804—H80M	0.9900
C334—C335	1.360 (17)	C804—H80N	0.9900
C334—C333	1.391 (18)	C804—C805	1.533 (13)
C312—H312	0.9500	C805—H80O	0.9900
C312—C313	1.374 (14)	C805—H80P	0.9900
C353—H353	0.9500	C805—C806	1.531 (13)
C353—C354	1.365 (15)	C806—H80Q	0.9900
C320—H320	0.9500	C806—H80R	0.9900
C320—C319	1.412 (16)	O3B—C15B	1.44 (2)
C301—H301	0.9500	C14B—H14D	0.9800
C317—H317	0.9500	C14B—H14E	0.9800
C317—C318	1.389 (13)	C14B—H14F	0.9800
C331—H331	0.9500	C15B—H15D	0.9800
C331—C330	1.380 (16)	C15B—H15E	0.9799
C351—H351	0.9500	C15B—H15F	0.9801
C351—C350	1.425 (15)	O1B—H1BA	0.8400
C348—H348	0.9500	O1B—C13B	1.42 (2)
C369—H369	0.9500	C13B—H13C	0.9900
C369—C368	1.393 (19)	C13B—H13D	0.9900
I302—Zn31—I301	126.8 (3)	N312—C336—C335	123.1 (13)
N311^i—Zn31—I302	107.8 (4)	C335—C336—H336	118.4
N311^i—Zn31—I301	105.0 (3)	C334—C335—H335	119.9
N301—Zn31—I302	106.9 (4)	C336—C335—C334	120.2 (13)
N301—Zn31—I301	106.3 (4)	C336—C335—H335	119.9
N301—Zn31—N311^i	101.2 (4)	C345—C346—H346	121.7
I307—Zn34—I308	125.1 (2)	C345—C346—C347	116.6 (10)
N319—Zn34—I308	106.9 (3)	C347—C346—H346	121.7
N319—Zn34—I307	106.0 (4)	N307—C319—C320	121.0 (13)
N319—Zn34—N318	101.9 (4)	N307—C319—H319	119.5
N318—Zn34—I308	108.2 (3)	C320—C319—H319	119.5
N318—Zn34—I307	106.3 (4)	C3A—C4A—C7A	118.0 (10)
I404—Zn42—I403	125.3 (4)	C3A—C4A—C5A	121.1 (9)
N306—Zn42—I403	108.8 (4)	C5A—C4A—C7A	121.0 (11)
N306—Zn42—I404	106.3 (4)	N317—C347—C346	126.6 (10)
N306—Zn42—N307	102.5 (4)	N317—C347—H347	116.7
N307—Zn42—I403	103.4 (4)	C346—C347—H347	116.7
N307—Zn42—I404	108.3 (4)	C363—C367—C366	117.5 (14)
I309—Zn35—I310	127.3 (4)	C363—C367—H367	121.2
N324—Zn35—I309	110.4 (5)	C366—C367—H367	121.2
N324—Zn35—I310	104.0 (5)	C4A—C3A—H3A	119.9
N324—Zn35—N317^ii	95.9 (5)	C4A—C3A—C2A	120.2 (11)
N317^ii—Zn35—I309	106.0 (5)	C2A—C3A—H3A	119.9
N317^ii—Zn35—I310	108.7 (5)	C334—C333—H333	120.0
I311—Zn36—I312	121.5 (3)	C332—C333—C334	120.0 (14)
N305^iii—Zn36—I312	109.9 (4)	C332—C333—H333	120.0
N305^iii—Zn36—I311	109.1 (4)	C12A—C7A—C4A	120.3 (10)
N305^iii—Zn36—N323	102.1 (5)	C8A—C7A—C4A	120.1 (10)
N323—Zn36—I312	106.9 (4)	C8A—C7A—C12A	119.6 (9)
N323—Zn36—I311	105.5 (4)	C4A—C5A—C13A	119.9 (10)
I305—Zn33—I306	121.88 (19)	C6A—C5A—C4A	117.2 (10)
N313—Zn33—I306	109.2 (3)	C6A—C5A—C13A	122.8 (11)
N313—Zn33—I305	107.3 (3)	C3A—C2A—H2A	120.2
N312—Zn33—I306	104.2 (4)	C1A—C2A—C3A	119.6 (11)
N312—Zn33—I305	110.4 (4)	C1A—C2A—H2A	120.2
N312—Zn33—N313	102.0 (5)	C2A—C1A—H1A	120.1
C308—N302—C306	113.9 (7)	C6A—C1A—C2A	119.9 (11)
C361—N320—C360	114.1 (9)	C6A—C1A—H1A	120.1
C329—N311—Zn31^v	122.2 (8)	C5A—C6A—H6A	119.0
C329—N311—C330	119.4 (9)	C1A—C6A—C5A	122.0 (11)
C330—N311—Zn31^v	118.1 (7)	C1A—C6A—H6A	119.0
C307—N304—C308	115.4 (7)	O3A—C12A—C7A	115.2 (10)
C306—N303—C307	113.8 (7)	O3A—C12A—C11A	125.1 (12)
C360—N321—C362	115.7 (8)	C11A—C12A—C7A	119.7 (10)
C325—N309—C324	113.3 (9)	N312—C332—C333	122.0 (14)
C361—N322—C362	114.6 (9)	N312—C332—H332	119.0
C344—N316—C343	114.9 (8)	C333—C332—H332	119.0
C325—N310—C326	115.2 (9)	O2A—C8A—C7A	116.3 (10)
C342—N314—C344	115.3 (7)	O2A—C8A—C9A	123.3 (12)
C305—N301—Zn31	120.9 (6)	C7A—C8A—C9A	120.3 (10)
C305—N301—C301	118.0 (7)	C8A—C9A—H9A	120.4
C305—N301—Zn41	119.8 (6)	C10A—C9A—C8A	119.1 (11)
C305—N301—Zn51	117.3 (13)	C10A—C9A—H9A	120.4
C301—N301—Zn31	121.0 (6)	C12A—C11A—H11A	120.3
C301—N301—Zn41	122.0 (6)	C10A—C11A—C12A	119.4 (11)
C301—N301—Zn51	117.0 (11)	C10A—C11A—H11A	120.3
C359—N319—Zn34	118.8 (7)	C9A—C10A—C11A	121.7 (11)
C359—N319—C355	119.1 (9)	C9A—C10A—H10A	119.1
C359—N319—Zn44	122.3 (7)	C11A—C10A—H10A	119.1
C355—N319—Zn34	121.9 (8)	O1A—C13A—C5A	113.7 (12)
C355—N319—Zn44	118.3 (9)	O1A—C13A—H13A	108.8
C342—N315—C343	114.6 (7)	O1A—C13A—H13B	108.8
C311—N305—Zn36^vi	121.5 (7)	C5A—C13A—H13A	108.8
C311—N305—C312	118.7 (8)	C5A—C13A—H13B	108.8
C312—N305—Zn36^vi	119.7 (7)	H13A—C13A—H13B	107.7
C324—N308—C326	116.4 (9)	O3A—C15A—H15A	109.5
C365—N324—Zn35	120.7 (9)	O3A—C15A—H15B	109.5
C365—N324—C366	117.9 (10)	O3A—C15A—H15C	109.5
C365—N324—Zn45	129.3 (10)	H15A—C15A—H15B	109.5
C365—N324—Zn55	99.6 (14)	H15A—C15A—H15C	109.5
C366—N324—Zn35	120.9 (9)	H15B—C15A—H15C	109.5
C366—N324—Zn45	112.0 (9)	N307—C323—H323	118.3
C366—N324—Zn55	141.2 (14)	N307—C323—C322	123.3 (14)
C337—N313—Zn33	114.5 (8)	C322—C323—H323	118.3
C337—N313—Zn43	129.0 (8)	C321—C322—H322	121.2
C337—N313—Zn53	152.2 (17)	C323—C322—C321	117.5 (16)
C341—N313—Zn33	126.0 (7)	C323—C322—H322	121.3
C341—N313—C337	119.4 (9)	N319—Zn44—I408	108.7 (5)
C341—N313—Zn43	111.3 (8)	N319—Zn44—I407	108.8 (5)
C341—N313—Zn53	87.1 (17)	N318—Zn44—N319	102.9 (5)
C372—N323—Zn36	124.5 (9)	N318—Zn44—I408	102.7 (4)
C372—N323—C368	117.5 (11)	N318—Zn44—I407	106.2 (5)
C372—N323—Zn46	122.8 (9)	I407—Zn44—I408	125.1 (4)
C368—N323—Zn36	117.9 (9)	N306—Zn32—I303	107.2 (4)
C368—N323—Zn46	119.6 (9)	N306—Zn32—I304	103.8 (5)
C354—N318—Zn34	121.3 (7)	N307—Zn32—N306	101.5 (4)
C354—N318—Zn44	124.0 (7)	N307—Zn32—I303	109.5 (5)
C350—N318—Zn34	122.4 (7)	N307—Zn32—I304	106.9 (5)
C350—N318—C354	116.2 (9)	I304—Zn32—I303	125.3 (4)
C350—N318—Zn44	119.5 (7)	N311^i—Zn41—I401	110.9 (5)
C314—N306—Zn42	121.7 (7)	N311^i—Zn41—I402	111.0 (5)
C314—N306—C318	119.2 (8)	N301—Zn41—N311^i	98.8 (5)
C314—N306—Zn32	122.5 (7)	N301—Zn41—I401	109.5 (4)
C314—N306—Zn52	134.8 (12)	N301—Zn41—I402	102.5 (5)
C318—N306—Zn42	118.9 (7)	I402—Zn41—I401	121.3 (4)
C318—N306—Zn32	118.1 (7)	N324—Zn45—N317^ii	100.8 (6)
C318—N306—Zn52	104.9 (12)	N324—Zn45—I410	107.7 (5)
Zn35^iv—N317—Zn55^iv	23.7 (13)	N324—Zn45—I409	104.2 (5)
C348—N317—Zn35^iv	123.6 (7)	N317^ii—Zn45—I410	110.1 (5)
C348—N317—Zn45^iv	121.4 (7)	N317^ii—Zn45—I409	103.4 (5)
C348—N317—Zn55^iv	127.8 (14)	I409—Zn45—I410	127.5 (4)
C347—N317—Zn35^iv	119.8 (7)	N313—Zn43—I406	115.9 (5)
C347—N317—C348	115.8 (8)	N313—Zn43—I405	99.3 (5)
C347—N317—Zn45^iv	122.8 (7)	N312—Zn43—N313	102.4 (5)
C347—N317—Zn55^iv	106.6 (15)	N312—Zn43—I406	115.5 (6)
Zn45^iv—N317—Zn55^iv	32.5 (13)	N312—Zn43—I405	98.8 (5)
C319—N307—Zn42	122.5 (9)	I406—Zn43—I405	121.7 (4)
C319—N307—C323	117.3 (11)	N305^iii—Zn46—I411	110.4 (3)
C319—N307—Zn32	121.4 (9)	N305^iii—Zn46—I412	103.5 (3)
C319—N307—Zn52	108.3 (13)	N323—Zn46—N305^iii	101.5 (4)
C319—N307—C2	104.5 (14)	N323—Zn46—I411	107.7 (3)
C323—N307—Zn42	118.4 (8)	N323—Zn46—I412	112.5 (4)
C2—N307—Zn32	121.3 (11)	I411—Zn46—I412	119.8 (3)
C356—C357—C360	122.3 (9)	N306—Zn52—I503	101.9 (15)
C356—C357—C358	119.8 (10)	N306—Zn52—I504	110.0 (15)
C358—C357—C360	117.9 (10)	N307—Zn52—N306	101.6 (9)
N309—C325—C327	115.3 (9)	N307—Zn52—I503	108.8 (16)
N310—C325—N309	126.1 (8)	N307—Zn52—I504	124.9 (16)
N310—C325—C327	118.5 (8)	I504—Zn52—I503	107.2 (14)
N320—C361—C363	117.5 (10)	N301—Zn51—I501	97.6 (12)
N322—C361—N320	126.2 (9)	N301—Zn51—I502	127.7 (16)
N322—C361—C363	116.3 (9)	I502—Zn51—I501	123.8 (15)
N320—C360—C357	116.1 (9)	N313—Zn53—N312	86 (2)
N321—C360—N320	124.7 (8)	N313—Zn53—I505	81 (2)
N321—C360—C357	119.1 (8)	N312—Zn53—I505	82 (2)
C364—C363—C361	121.4 (9)	I506—Zn53—N313	132 (3)
C364—C363—C367	118.6 (10)	I506—Zn53—N312	128 (3)
C367—C363—C361	120.0 (11)	I506—Zn53—I505	130 (3)
C328—C327—C325	122.1 (8)	N324—Zn55—I510	89.5 (17)
C328—C327—C331	118.3 (9)	N317^ii—Zn55—N324	82.3 (16)
C331—C327—C325	119.6 (10)	N317^ii—Zn55—I510	86.7 (16)
N302—C306—C303	115.6 (7)	N317^ii—Zn55—I509	136 (2)
N303—C306—N302	126.5 (7)	I509—Zn55—N324	119 (2)
N303—C306—C303	117.9 (7)	I509—Zn55—I510	128 (2)
C310—C309—C307	121.6 (7)	O2A—C14A—H14A	109.5
C313—C309—C307	121.5 (8)	O2A—C14A—H14B	109.5
C313—C309—C310	116.8 (8)	O2A—C14A—H14C	109.5
N302—C308—C316	116.4 (7)	H14A—C14A—H14B	109.5
N304—C308—N302	125.1 (7)	H14A—C14A—H14C	109.5
N304—C308—C316	118.5 (7)	H14B—C14A—H14C	109.5
N304—C307—N303	125.0 (7)	N307—C2—H2	118.3
N304—C307—C309	117.1 (7)	N307—C2—C03O	123 (2)
N303—C307—C309	117.9 (7)	C03O—C2—H2	118.3
N309—C324—C321	116.7 (10)	C321—C03O—H03O	121.2
N308—C324—N309	124.8 (9)	C2—C03O—C321	118 (2)
N308—C324—C321	118.4 (9)	C2—C03O—H03O	121.2
N319—C359—H359	118.5	C5B—C4B—C3B	120.0
N319—C359—C358	123.1 (10)	C5B—C4B—C7B	119.4 (8)
C358—C359—H359	118.5	C3B—C4B—C7B	120.1 (8)
C302—C303—C306	120.3 (8)	C4B—C5B—C13B	119.7 (8)
C304—C303—C306	121.4 (8)	C6B—C5B—C4B	120.0
C304—C303—C302	118.2 (8)	C6B—C5B—C13B	120.3 (8)
N316—C343—N315	124.4 (7)	C5B—C6B—H6B	120.0
N316—C343—C345	118.7 (8)	C5B—C6B—C1B	120.0
N315—C343—C345	116.9 (8)	C1B—C6B—H6B	120.0
N316—C344—N314	125.5 (8)	C6B—C1B—H1B	120.0
N316—C344—C352	116.7 (8)	C2B—C1B—C6B	120.0
N314—C344—C352	117.9 (8)	C2B—C1B—H1B	120.0
C315—C316—C308	121.8 (8)	C1B—C2B—H2B	120.0
C315—C316—C317	117.9 (8)	C1B—C2B—C3B	120.0
C317—C316—C308	120.2 (8)	C3B—C2B—H2B	120.0
C327—C328—H328	119.5	C4B—C3B—H3B	120.0
C327—C328—C329	120.9 (9)	C2B—C3B—C4B	120.0
C329—C328—H328	119.5	C2B—C3B—H3B	120.0
C338—C339—C342	121.5 (8)	C12B—C7B—C4B	119.5 (8)
C338—C339—C340	117.2 (9)	C12B—C7B—C8B	120.0
C340—C339—C342	121.4 (9)	C8B—C7B—C4B	119.9 (8)
C369—C370—C362	119.9 (10)	C11B—C12B—C7B	120.0
C371—C370—C362	121.0 (10)	O3B—C12B—C7B	113 (2)
C371—C370—C369	119.0 (12)	O3B—C12B—C11B	127 (2)
N314—C342—N315	124.9 (8)	C12B—C11B—H11B	120.0
N314—C342—C339	120.9 (8)	C10B—C11B—C12B	120.0
N315—C342—C339	114.2 (8)	C10B—C11B—H11B	120.0
N305—C311—H311	118.2	C11B—C10B—H10B	120.0
N305—C311—C310	123.7 (9)	C11B—C10B—C9B	120.0
C310—C311—H311	118.2	C9B—C10B—H10B	120.0
C309—C310—H310	121.0	C10B—C9B—H9B	120.0
C311—C310—C309	118.1 (9)	C8B—C9B—C10B	120.0
C311—C310—H310	121.0	C8B—C9B—H9B	120.0
C8A—O2A—C14A	117.3 (14)	C9B—C8B—C7B	120.0
C336—N312—Zn33	126.3 (9)	O2B—C8B—C7B	116 (2)
C336—N312—Zn43	113.4 (9)	O2B—C8B—C9B	124 (2)
C336—N312—Zn53	93.5 (18)	C8B—O2B—C14B	119 (3)
C332—N312—Zn33	116.4 (10)	H81A—C816—H81B	108.3
C332—N312—C336	117.3 (12)	C815—C816—H81A	109.8
C332—N312—Zn43	128.7 (10)	C815—C816—H81B	109.8
C332—N312—Zn53	143.1 (19)	C815—C816—C817	109 (2)
C320—C321—C324	122.6 (9)	C817—C816—H81A	109.8
C320—C321—C322	116.6 (11)	C817—C816—H81B	109.8
C320—C321—C03O	101.8 (15)	C816—C815—H81C	109.5
C322—C321—C324	119.8 (12)	C816—C815—H81D	109.5
C03O—C321—C324	121.7 (13)	H81C—C815—H81D	108.1
C363—C364—H364	120.2	C814—C815—C816	111 (2)
C363—C364—C365	119.6 (10)	C814—C815—H81C	109.5
C365—C364—H364	120.2	C814—C815—H81D	109.5
C12A—O3A—C15A	117.1 (15)	C815—C814—H81E	109.2
C353—C352—C344	120.7 (8)	C815—C814—H81F	109.2
C353—C352—C351	119.9 (9)	H81E—C814—H81F	107.9
C351—C352—C344	119.4 (9)	C813—C814—C815	112 (2)
C357—C356—H356	119.4	C813—C814—H81E	109.2
C357—C356—C355	121.2 (10)	C813—C814—H81F	109.2
C355—C356—H356	119.4	C814—C813—H81G	109.0
N301—C305—H305	118.9	C814—C813—H81H	109.0
N301—C305—C304	122.1 (9)	H81G—C813—H81H	107.8
C304—C305—H305	118.9	C818—C813—C814	113 (2)
C345—C349—H349	119.9	C818—C813—H81G	109.0
C345—C349—C348	120.3 (10)	C818—C813—H81H	109.0
C348—C349—H349	119.9	C813—C818—H81I	109.1
N324—C365—C364	122.9 (12)	C813—C818—H81J	109.1
N324—C365—H365	118.6	C813—C818—C817	112.3 (19)
C364—C365—H365	118.6	H81I—C818—H81J	107.9
C316—C315—H315	119.8	C817—C818—H81I	109.1
C316—C315—C314	120.5 (9)	C817—C818—H81J	109.1
C314—C315—H315	119.8	C816—C817—H81K	109.3
C349—C345—C343	122.1 (8)	C816—C817—H81L	109.3
C349—C345—C346	119.1 (9)	C818—C817—C816	112 (2)
C346—C345—C343	118.8 (9)	C818—C817—H81K	109.3
C303—C302—H302	120.3	C818—C817—H81L	109.3
C301—C302—C303	119.4 (8)	H81K—C817—H81L	107.9
C301—C302—H302	120.3	H80A—C807—H80B	108.2
C357—C358—C359	116.9 (11)	C808—C807—H80A	109.7
C357—C358—H358	121.6	C808—C807—H80B	109.7
C359—C358—H358	121.6	C808—C807—C812	110 (2)
N306—C314—C315	121.7 (9)	C812—C807—H80A	109.7
N306—C314—H314	119.1	C812—C807—H80B	109.7
C315—C314—H314	119.1	C807—C808—H80C	109.4
C303—C304—H304	119.9	C807—C808—H80D	109.4
C305—C304—C303	120.1 (8)	H80C—C808—H80D	108.0
C305—C304—H304	119.9	C809—C808—C807	111.0 (18)
C13A—O1A—H1AA	109.5	C809—C808—H80C	109.4
N311—C329—C328	120.5 (10)	C809—C808—H80D	109.4
N311—C329—H329	119.8	C808—C809—H80E	109.6
C328—C329—H329	119.8	C808—C809—H80F	109.6
N321—C362—C370	117.2 (9)	H80E—C809—H80F	108.1
N322—C362—N321	124.7 (10)	C810—C809—C808	110.4 (18)
N322—C362—C370	118.1 (9)	C810—C809—H80E	109.6
C335—C334—C326	123.2 (11)	C810—C809—H80F	109.6
C335—C334—C333	116.9 (13)	C809—C810—H81M	109.6
C333—C334—C326	119.8 (11)	C809—C810—H81N	109.6
N305—C312—H312	119.0	C809—C810—C811	110.5 (18)
N305—C312—C313	121.9 (9)	H81M—C810—H81N	108.1
C313—C312—H312	119.0	C811—C810—H81M	109.6
N310—C326—C334	117.4 (10)	C811—C810—H81N	109.6
N308—C326—N310	124.0 (11)	C810—C811—H81O	109.1
N308—C326—C334	118.6 (10)	C810—C811—H81P	109.1
C352—C353—H353	119.5	H81O—C811—H81P	107.8
C352—C353—C354	121.1 (9)	C812—C811—C810	112.6 (18)
C354—C353—H353	119.5	C812—C811—H81O	109.1
C321—C320—H320	119.0	C812—C811—H81P	109.1
C321—C320—C319	122.0 (11)	C807—C812—H81Q	109.4
C319—C320—H320	119.0	C807—C812—H81R	109.4
N301—C301—C302	122.1 (8)	C811—C812—C807	111.3 (18)
N301—C301—H301	119.0	C811—C812—H81Q	109.4
C302—C301—H301	119.0	C811—C812—H81R	109.4
C316—C317—H317	120.4	H81Q—C812—H81R	108.0
C318—C317—C316	119.2 (10)	H80G—C801—H80H	108.1
C318—C317—H317	120.4	C802—C801—H80G	109.6
C327—C331—H331	121.2	C802—C801—H80H	109.6
C330—C331—C327	117.7 (12)	C806—C801—H80G	109.6
C330—C331—H331	121.2	C806—C801—H80H	109.6
C352—C351—H351	121.9	C806—C801—C802	110 (2)
C352—C351—C350	116.1 (10)	C801—C802—H80I	109.5
C350—C351—H351	121.9	C801—C802—H80J	109.5
N317—C348—C349	121.6 (10)	H80I—C802—H80J	108.1
N317—C348—H348	119.2	C803—C802—C801	110.7 (18)
C349—C348—H348	119.2	C803—C802—H80I	109.5
C370—C369—H369	121.5	C803—C802—H80J	109.5
C370—C369—C368	117.0 (11)	C802—C803—H80K	109.5
C368—C369—H369	121.5	C802—C803—H80L	109.5
N313—C337—H337	118.9	C802—C803—C804	110.7 (18)
N313—C337—C338	122.2 (11)	H80K—C803—H80L	108.1
C338—C337—H337	118.9	C804—C803—H80K	109.5
N319—C355—C356	119.7 (12)	C804—C803—H80L	109.5
N319—C355—H355	120.1	C803—C804—H80M	109.7
C356—C355—H355	120.1	C803—C804—H80N	109.7
C309—C313—C312	120.7 (9)	H80M—C804—H80N	108.2
C309—C313—H313	119.6	C805—C804—C803	109.9 (18)
C312—C313—H313	119.6	C805—C804—H80M	109.7
N318—C354—H354	119.1	C805—C804—H80N	109.7
C353—C354—N318	121.8 (10)	C804—C805—H80O	109.4
C353—C354—H354	119.1	C804—C805—H80P	109.4
N318—C350—C351	124.8 (9)	H80O—C805—H80P	108.0
N318—C350—H350	117.6	C806—C805—C804	111.1 (18)
C351—C350—H350	117.6	C806—C805—H80O	109.4
C339—C338—C337	120.0 (10)	C806—C805—H80P	109.4
C339—C338—H338	120.0	C801—C806—H80Q	109.4
C337—C338—H338	120.0	C801—C806—H80R	109.4
N323—C372—H372	118.4	C805—C806—C801	111.2 (18)
N323—C372—C371	123.1 (12)	C805—C806—H80Q	109.4
C371—C372—H372	118.4	C805—C806—H80R	109.4
N313—C341—H341	118.9	H80Q—C806—H80R	108.0
N313—C341—C340	122.2 (10)	C12B—O3B—C15B	117 (3)
C340—C341—H341	118.9	O2B—C14B—H14D	109.5
N306—C318—C317	121.5 (9)	O2B—C14B—H14E	109.5
N306—C318—H318	119.3	O2B—C14B—H14F	109.5
C317—C318—H318	119.3	H14D—C14B—H14E	109.5
C370—C371—H371	120.2	H14D—C14B—H14F	109.5
C372—C371—C370	119.6 (12)	H14E—C14B—H14F	109.5
C372—C371—H371	120.2	O3B—C15B—H15D	109.5
C339—C340—C341	118.8 (10)	O3B—C15B—H15E	109.5
C339—C340—H340	120.6	O3B—C15B—H15F	109.5
C341—C340—H340	120.6	H15D—C15B—H15E	109.5
N311—C330—C331	123.1 (10)	H15D—C15B—H15F	109.5
N311—C330—H330	118.4	H15E—C15B—H15F	109.5
C331—C330—H330	118.4	C13B—O1B—H1BA	109.5
N324—C366—H366	118.4	C5B—C13B—H13C	109.2
N324—C366—C367	123.1 (12)	C5B—C13B—H13D	109.2
C367—C366—H366	118.4	O1B—C13B—C5B	112 (3)
N323—C368—C369	123.7 (11)	O1B—C13B—H13C	109.2
N323—C368—H368	118.2	O1B—C13B—H13D	109.2
C369—C368—H368	118.2	H13C—C13B—H13D	107.9
N312—C336—H336	118.4
Zn31^v—N311—C329—C328	170.9 (7)	C326—C334—C335—C336	−177.1 (15)
Zn31^v—N311—C330—C331	−170.5 (10)	C326—C334—C333—C332	178.4 (16)
Zn31—N301—C305—C304	175.4 (10)	C353—C352—C351—C350	2 (2)
Zn31—N301—C301—C302	−176.6 (10)	C320—C321—C322—C323	5 (3)
Zn34—N319—C359—C358	−171.2 (8)	C320—C321—C03O—C2	−44 (3)
Zn34—N319—C355—C356	172.0 (9)	C301—N301—C305—C304	0 (2)
Zn34—N318—C354—C353	−171.8 (11)	C317—C316—C315—C314	1.0 (17)
Zn34—N318—C350—C351	174.0 (12)	C331—C327—C328—C329	3.5 (14)
Zn42—N306—C314—C315	−173.7 (9)	C351—C352—C353—C354	0 (2)
Zn42—N306—C318—C317	175.7 (11)	C348—N317—C347—C346	1 (3)
Zn42—N307—C319—C320	177.1 (10)	C348—C349—C345—C343	178.4 (12)
Zn42—N307—C323—C322	178.2 (18)	C348—C349—C345—C346	0 (2)
Zn35—N324—C365—C364	171.6 (8)	C369—C370—C362—N321	−18.5 (14)
Zn35—N324—C366—C367	−174.2 (13)	C369—C370—C362—N322	159.9 (10)
Zn35^iv—N317—C348—C349	168.2 (10)	C369—C370—C371—C372	−3 (2)
Zn35^iv—N317—C347—C346	−169.1 (16)	C337—N313—C341—C340	−5 (2)
Zn36^vi—N305—C311—C310	−178.5 (9)	C355—N319—C359—C358	3.5 (16)
Zn36^vi—N305—C312—C313	178.5 (11)	C313—C309—C307—N304	−13.3 (15)
Zn36—N323—C372—C371	−178.1 (11)	C313—C309—C307—N303	166.3 (10)
Zn36—N323—C368—C369	178.5 (11)	C313—C309—C310—C311	0.1 (16)
Zn33—N313—C337—C338	−178.5 (12)	C354—N318—C350—C351	−2 (2)
Zn33—N313—C341—C340	178.6 (10)	C350—N318—C354—C353	5 (2)
Zn33—N312—C336—C335	−170.8 (14)	C338—C339—C342—N314	173.6 (12)
Zn33—N312—C332—C333	172.4 (16)	C338—C339—C342—N315	−9.0 (17)
N302—C306—C303—C302	178.4 (10)	C338—C339—C340—C341	0.1 (19)
N302—C306—C303—C304	1.4 (15)	C372—N323—C368—C369	1 (2)
N302—C308—C316—C315	−6.9 (15)	C341—N313—C337—C338	4 (2)
N302—C308—C316—C317	174.5 (11)	C318—N306—C314—C315	1.0 (18)
N320—C361—C363—C364	3.4 (12)	C371—C370—C362—N321	158.4 (10)
N320—C361—C363—C367	−178.4 (11)	C371—C370—C362—N322	−23.1 (14)
N304—C308—C316—C315	171.7 (10)	C371—C370—C369—C368	3.3 (19)
N304—C308—C316—C317	−7.0 (16)	C340—C339—C342—N314	−7.2 (18)
N303—C306—C303—C302	−0.3 (15)	C340—C339—C342—N315	170.2 (11)
N303—C306—C303—C304	−177.3 (10)	C340—C339—C338—C337	0 (2)
N309—C325—C327—C328	11.0 (12)	C330—N311—C329—C328	−2.8 (14)
N309—C325—C327—C331	−168.7 (9)	C366—N324—C365—C364	−0.4 (17)
N309—C324—C321—C320	17.5 (16)	C368—N323—C372—C371	0 (2)
N309—C324—C321—C322	−150.9 (13)	C336—N312—C332—C333	−6 (3)
N309—C324—C321—C03O	150.4 (19)	C335—C334—C326—N310	−18 (2)
N322—C361—C363—C364	−173.8 (8)	C335—C334—C326—N308	162.2 (14)
N322—C361—C363—C367	4.4 (14)	C335—C334—C333—C332	1 (3)
N316—C343—C345—C349	−1.0 (17)	C319—N307—C323—C322	−17 (3)
N316—C343—C345—C346	177.8 (13)	C319—N307—C2—C03O	36 (4)
N316—C344—C352—C353	−0.1 (18)	C4A—C3A—C2A—C1A	2.5 (19)
N316—C344—C352—C351	178.4 (12)	C4A—C7A—C12A—O3A	1 (2)
N310—C325—C327—C328	−169.0 (9)	C4A—C7A—C12A—C11A	−179.1 (14)
N310—C325—C327—C331	11.3 (13)	C4A—C7A—C8A—O2A	−1 (2)
N314—C344—C352—C353	177.8 (12)	C4A—C7A—C8A—C9A	176.7 (14)
N314—C344—C352—C351	−3.6 (18)	C4A—C5A—C6A—C1A	1.9 (18)
N301—C305—C304—C303	0 (2)	C4A—C5A—C13A—O1A	160.5 (14)
N319—C359—C358—C357	−0.6 (15)	C347—N317—C348—C349	−2 (2)
N315—C343—C345—C349	−179.8 (11)	C367—C363—C364—C365	5.5 (15)
N315—C343—C345—C346	−1.1 (18)	C3A—C4A—C7A—C12A	72.4 (18)
N305—C311—C310—C309	−1.7 (18)	C3A—C4A—C7A—C8A	−107.1 (16)
N305—C312—C313—C309	2 (2)	C3A—C4A—C5A—C6A	−0.4 (18)
N308—C324—C321—C320	−165.9 (11)	C3A—C4A—C5A—C13A	178.6 (14)
N308—C324—C321—C322	25.8 (18)	C3A—C2A—C1A—C6A	−1 (2)
N308—C324—C321—C03O	−33 (2)	C333—C334—C326—N310	165.2 (13)
N324—C366—C367—C363	6 (3)	C333—C334—C326—N308	−14.7 (19)
N313—C337—C338—C339	−2 (2)	C333—C334—C335—C336	0 (3)
N313—C341—C340—C339	3 (2)	C7A—C4A—C3A—C2A	176.6 (11)
N323—C372—C371—C370	2 (2)	C7A—C4A—C5A—C6A	−178.7 (12)
N307—C323—C322—C321	8 (3)	C7A—C4A—C5A—C13A	0.3 (18)
N307—C2—C03O—C321	7 (5)	C7A—C12A—C11A—C10A	0 (3)
C357—C356—C355—N319	−1.4 (19)	C7A—C8A—C9A—C10A	4 (2)
C325—N309—C324—N308	−1.3 (14)	C5A—C4A—C3A—C2A	−1.8 (19)
C325—N309—C324—C321	175.1 (8)	C5A—C4A—C7A—C12A	−109.2 (16)
C325—N310—C326—N308	−1.2 (16)	C5A—C4A—C7A—C8A	71.3 (19)
C325—N310—C326—C334	178.8 (10)	C2A—C1A—C6A—C5A	−1 (2)
C325—C327—C328—C329	−176.1 (8)	C6A—C5A—C13A—O1A	−21 (2)
C325—C327—C331—C330	176.8 (10)	C12A—C7A—C8A—O2A	179.2 (14)
C361—N320—C360—N321	0.2 (11)	C12A—C7A—C8A—C9A	−3 (2)
C361—N320—C360—C357	176.6 (7)	C12A—C11A—C10A—C9A	1 (3)
C361—N322—C362—N321	−2.3 (13)	C332—N312—C336—C335	8 (3)
C361—N322—C362—C370	179.3 (8)	C8A—C7A—C12A—O3A	−179.2 (14)
C361—C363—C364—C365	−176.4 (8)	C8A—C7A—C12A—C11A	0 (2)
C361—C363—C367—C366	174.1 (13)	C8A—C9A—C10A—C11A	−4 (3)
C360—N320—C361—N322	0.9 (12)	C13A—C5A—C6A—C1A	−177.1 (14)
C360—N320—C361—C363	−176.1 (7)	C15A—O3A—C12A—C7A	172.0 (14)
C360—N321—C362—N322	3.3 (13)	C15A—O3A—C12A—C11A	−8 (2)
C360—N321—C362—C370	−178.4 (7)	C323—N307—C319—C320	13 (2)
C360—C357—C356—C355	−177.2 (10)	C322—C321—C320—C319	−9 (2)
C360—C357—C358—C359	178.1 (8)	Zn44—N319—C359—C358	−170.1 (8)
C363—C364—C365—N324	−1.3 (15)	Zn44—N319—C355—C356	171.3 (9)
C327—C328—C329—N311	−0.7 (14)	Zn44—N318—C354—C353	−169.0 (11)
C327—C331—C330—N311	−1 (2)	Zn44—N318—C350—C351	171.6 (12)
C306—N302—C308—N304	3.4 (14)	Zn32—N306—C314—C315	−173.4 (9)
C306—N302—C308—C316	−178.2 (8)	Zn32—N306—C318—C317	175.6 (12)
C306—N303—C307—N304	7.2 (14)	Zn32—N307—C319—C320	178.3 (10)
C306—N303—C307—C309	−172.5 (8)	Zn32—N307—C2—C03O	178 (3)
C306—C303—C302—C301	−179.1 (11)	Zn41—N301—C305—C304	175.0 (11)
C306—C303—C304—C305	178.0 (11)	Zn41—N301—C301—C302	−176.1 (10)
C308—N302—C306—N303	−1.3 (14)	Zn45—N324—C365—C364	168.3 (9)
C308—N302—C306—C303	−179.9 (8)	Zn45—N324—C366—C367	−172.7 (15)
C308—N304—C307—N303	−5.4 (15)	Zn45^iv—N317—C348—C349	178.4 (10)
C308—N304—C307—C309	174.2 (9)	Zn45^iv—N317—C347—C346	−178.8 (15)
C308—C316—C315—C314	−177.7 (10)	Zn43—N313—C337—C338	177.3 (11)
C308—C316—C317—C318	179.6 (12)	Zn43—N313—C341—C340	−178.8 (11)
C307—N304—C308—N302	−0.3 (15)	Zn43—N312—C336—C335	179.8 (15)
C307—N304—C308—C316	−178.7 (9)	Zn43—N312—C332—C333	−177.1 (15)
C307—N303—C306—N302	−3.6 (14)	Zn46—N323—C372—C371	−177.8 (11)
C307—N303—C306—C303	175.0 (8)	Zn46—N323—C368—C369	178.1 (11)
C307—C309—C310—C311	176.3 (10)	Zn52—N306—C314—C315	−164.3 (12)
C307—C309—C313—C312	−176.3 (11)	Zn52—N306—C318—C317	170.2 (14)
C324—N309—C325—N310	4.0 (13)	Zn52—N307—C319—C320	171.6 (13)
C324—N309—C325—C327	−176.0 (8)	Zn51—N301—C305—C304	149.0 (14)
C324—N308—C326—N310	3.5 (17)	Zn51—N301—C301—C302	−150.3 (16)
C324—N308—C326—C334	−176.5 (11)	Zn53—N313—C337—C338	166 (4)
C324—C321—C320—C319	−177.8 (12)	Zn53—N313—C341—C340	−176 (2)
C324—C321—C322—C323	174.3 (17)	Zn53—N312—C336—C335	167 (2)
C324—C321—C03O—C2	175 (2)	Zn53—N312—C332—C333	−150 (3)
C359—N319—C355—C356	−2.5 (17)	Zn55—N324—C365—C364	169.4 (14)
C303—C302—C301—N301	2 (2)	Zn55—N324—C366—C367	−166 (2)
C343—N316—C344—N314	7.3 (17)	Zn55^iv—N317—C348—C349	139.4 (19)
C343—N316—C344—C352	−175.0 (10)	Zn55^iv—N317—C347—C346	−148 (2)
C343—N315—C342—N314	5.9 (16)	C14A—O2A—C8A—C7A	178.1 (19)
C343—N315—C342—C339	−171.4 (10)	C14A—O2A—C8A—C9A	0 (3)
C343—C345—C346—C347	−178.9 (14)	C2—N307—C319—C320	−40 (2)
C344—N316—C343—N315	−2.2 (16)	C03O—C321—C320—C319	41.8 (19)
C344—N316—C343—C345	179.0 (10)	C4B—C5B—C6B—C1B	0.0
C344—N314—C342—N315	−1.6 (17)	C4B—C5B—C13B—O1B	−164 (4)
C344—N314—C342—C339	175.4 (10)	C4B—C7B—C12B—C11B	171 (2)
C344—C352—C353—C354	179.0 (12)	C4B—C7B—C12B—O3B	−5 (3)
C344—C352—C351—C350	−176.9 (12)	C4B—C7B—C8B—C9B	−171 (2)
C316—C315—C314—N306	−2.0 (18)	C4B—C7B—C8B—O2B	10 (3)
C316—C317—C318—N306	−2 (2)	C5B—C4B—C3B—C2B	0.0
C328—C327—C331—C330	−2.9 (16)	C5B—C4B—C7B—C12B	−92 (2)
C370—C369—C368—N323	−2 (2)	C5B—C4B—C7B—C8B	79 (2)
C342—N314—C344—N316	−5.5 (17)	C5B—C6B—C1B—C2B	0.0
C342—N314—C344—C352	176.8 (10)	C6B—C5B—C13B—O1B	18 (5)
C342—N315—C343—N316	−3.8 (16)	C6B—C1B—C2B—C3B	0.0
C342—N315—C343—C345	175.0 (10)	C1B—C2B—C3B—C4B	0.0
C342—C339—C338—C337	178.9 (12)	C3B—C4B—C5B—C6B	0.0
C342—C339—C340—C341	−179.2 (12)	C3B—C4B—C5B—C13B	−178 (2)
C311—N305—C312—C313	−3 (2)	C3B—C4B—C7B—C12B	96 (2)
C310—C309—C307—N304	170.8 (10)	C3B—C4B—C7B—C8B	−93 (2)
C310—C309—C307—N303	−9.6 (14)	C7B—C4B—C5B—C6B	−172 (2)
C310—C309—C313—C312	−0.2 (18)	C7B—C4B—C5B—C13B	10 (3)
O2A—C8A—C9A—C10A	−177.7 (15)	C7B—C4B—C3B—C2B	172 (2)
N312—C336—C335—C334	−5 (3)	C7B—C12B—C11B—C10B	0.0
C321—C320—C319—N307	0 (2)	C7B—C12B—O3B—C15B	162 (7)
C364—C363—C367—C366	−8 (2)	C7B—C8B—O2B—C14B	−175 (5)
O3A—C12A—C11A—C10A	179.8 (16)	C12B—C7B—C8B—C9B	0.0
C352—C353—C354—N318	−4 (2)	C12B—C7B—C8B—O2B	−179 (2)
C352—C351—C350—N318	−1 (2)	C12B—C11B—C10B—C9B	0.0
C356—C357—C360—N320	−2.3 (13)	C11B—C12B—O3B—C15B	−14 (8)
C356—C357—C360—N321	174.2 (9)	C11B—C10B—C9B—C8B	0.0
C356—C357—C358—C359	−3.3 (14)	C10B—C9B—C8B—C7B	0.0
C305—N301—C301—C302	−1.6 (19)	C10B—C9B—C8B—O2B	179 (3)
C349—C345—C346—C347	0 (2)	C9B—C8B—O2B—C14B	6 (6)
C365—N324—C366—C367	−2 (2)	C8B—C7B—C12B—C11B	0.0
C315—C316—C317—C318	1 (2)	C8B—C7B—C12B—O3B	−176 (3)
C345—C349—C348—N317	1 (2)	C816—C815—C814—C813	56 (5)
C345—C346—C347—N317	0 (3)	C815—C816—C817—C818	58 (5)
C302—C303—C304—C305	0.9 (19)	C815—C814—C813—C818	−51 (5)
C358—C357—C360—N320	176.3 (8)	C814—C813—C818—C817	49 (5)
C358—C357—C360—N321	−7.2 (12)	C813—C818—C817—C816	−53 (5)
C358—C357—C356—C355	4.3 (17)	C817—C816—C815—C814	−59 (5)
C314—N306—C318—C317	1 (2)	C807—C808—C809—C810	59 (4)
C304—C303—C302—C301	−2.0 (18)	C808—C807—C812—C811	55 (4)
C329—N311—C330—C331	3.5 (18)	C808—C809—C810—C811	−56 (4)
C362—N321—C360—N320	−2.1 (11)	C809—C810—C811—C812	54 (4)
C362—N321—C360—C357	−178.4 (7)	C810—C811—C812—C807	−54 (4)
C362—N322—C361—N320	0.1 (13)	C812—C807—C808—C809	−58 (4)
C362—N322—C361—C363	177.1 (7)	C801—C802—C803—C804	58 (4)
C362—C370—C369—C368	−179.8 (11)	C802—C801—C806—C805	56 (4)
C362—C370—C371—C372	180.0 (11)	C802—C803—C804—C805	−58 (4)
C334—C333—C332—N312	2 (3)	C803—C804—C805—C806	57 (4)
C312—N305—C311—C310	3.3 (18)	C804—C805—C806—C801	−57 (4)
C326—N310—C325—N309	−2.8 (14)	C806—C801—C802—C803	−56 (4)
C326—N310—C325—C327	177.1 (8)	O3B—C12B—C11B—C10B	175 (3)
C326—N308—C324—N309	−2.1 (17)	C13B—C5B—C6B—C1B	178 (2)
C326—N308—C324—C321	−178.5 (10)

Symmetry codes: (i) x−1/2, −y+2, z−1/2; (ii) x+1/2, −y+1, z+1/2; (iii) x, y−1, z+1; (iv) x−1/2, −y+1, z−1/2; (v) x+1/2, −y+2, z+1/2; (vi) x, y+1, z−1.

(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge) (50_10_96c)

Crystal data

C72H48I12N24Zn6·1.09(C15H16O3)·1.217(C6H12)	F(000) = 6659
Mr = 3534.43	Dx = 1.472 Mg m^−3
Monoclinic, P2/n	Cu Kα radiation, λ = 1.54184 Å
a = 31.6222 (19) Å	Cell parameters from 15706 reflections
b = 14.9929 (6) Å	θ = 2.6–73.1°
c = 34.405 (2) Å	µ = 19.58 mm^−1
β = 102.192 (6)°	T = 100 K
V = 15943.7 (16) Å^3	Block, light yellow
Z = 4	0.27 × 0.17 × 0.12 mm

Data collection

Rigaku 007HF equipped with Varimax confocal mirrors and a UG2 goniometer and HyPix 6000HE detector diffractometer	28894 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	21921 reflections with I > 2σ(I)
Varimax focusing mirrors monochromator	Rint = 0.071
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.1°
profile data from ω–scans	h = −37→38
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −8→17
Tmin = 0.070, Tmax = 0.232	l = −41→41
100270 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.148	H-atom parameters constrained
wR(F^2) = 0.362	w = 1/[σ^2(Fo^2) + (0.0905P)^2 + 673.4932P] where P = (Fo^2 + 2Fc^2)/3
S = 1.10	(Δ/σ)max = 0.004
28894 reflections	Δρmax = 1.42 e Å^−3
1609 parameters	Δρmin = −1.88 e Å^−3
823 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). Exchange site B was located over a two-fold symmetry axis and was modelled in PART -1. Multiple solvent molecules were located over two-fold symmetry sites or were determined to have a low occupancy, these were modelled isotropic to prevent over-expansion of thermal ellipsoids. During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I309	0.9140 (3)	0.49268 (17)	0.6499 (2)	0.0777 (17)	0.81 (2)
I305	0.6153 (3)	0.8933 (6)	0.7687 (3)	0.085 (3)	0.4809
I304	0.29642 (15)	0.4812 (3)	0.99098 (16)	0.0647 (13)	0.610 (19)
I401	0.3930 (2)	0.0058 (6)	0.6341 (2)	0.070 (4)	0.40 (5)
I306	0.5584 (3)	0.9617 (5)	0.8760 (3)	0.076 (2)	0.4809
I307	0.72242 (16)	0.0374 (3)	0.9000 (2)	0.089 (2)	0.5643
I308	0.8281 (3)	0.0382 (4)	1.0062 (3)	0.147 (5)	0.5643
I303	0.19937 (17)	0.4041 (3)	0.88367 (18)	0.0778 (16)	0.610 (19)
I402	0.4994 (5)	0.1549 (19)	0.5996 (4)	0.172 (11)	0.40 (5)
I312	0.6428 (2)	0.3945 (5)	0.2735 (2)	0.0926 (19)	0.6135
I310	1.01565 (19)	0.3340 (7)	0.60487 (18)	0.0987 (17)	0.81 (2)
I311	0.56994 (17)	0.4953 (2)	0.36477 (13)	0.0856 (13)	0.6135
Zn41	0.4272 (5)	0.1509 (8)	0.6213 (5)	0.107 (11)	0.40 (5)
Zn33	0.5868 (3)	0.8561 (6)	0.8298 (4)	0.060 (3)	0.4809
Zn35	0.94741 (19)	0.3475 (4)	0.63279 (15)	0.0665 (12)	0.81 (2)
Zn34	0.7935 (3)	0.0960 (6)	0.9383 (3)	0.0776 (10)	0.5643
Zn36	0.6076 (4)	0.3753 (8)	0.3317 (3)	0.065 (3)	0.6135
Zn32	0.2733 (2)	0.3860 (7)	0.9297 (2)	0.0537 (19)	0.610 (19)
N309	0.7696 (4)	0.6890 (8)	0.9593 (4)	0.042 (3)
N310	0.8099 (5)	0.5570 (9)	0.9774 (5)	0.050 (4)
N324	0.6510 (6)	0.3068 (9)	0.3767 (5)	0.062 (5)
N316	0.9831 (5)	0.0157 (8)	0.7790 (5)	0.055 (4)
N306	0.5417 (6)	0.7549 (10)	0.8130 (6)	0.057 (5)
N301	0.4317 (6)	0.2341 (10)	0.6684 (5)	0.052 (4)
N313	0.8388 (6)	0.0783 (9)	0.9035 (5)	0.060 (4)
N302	0.4611 (5)	0.4749 (10)	0.7704 (5)	0.053 (4)
N322	0.7562 (6)	0.0750 (10)	0.4389 (5)	0.060 (5)
N314	0.9270 (5)	0.0985 (10)	0.7993 (5)	0.056 (4)
N308	0.7498 (5)	0.5578 (9)	0.9228 (4)	0.049 (4)
N321	0.8135 (6)	0.0638 (9)	0.4966 (5)	0.060 (5)
N312	0.7903 (6)	0.2344 (11)	0.9408 (6)	0.065 (5)
N307	0.6389 (5)	0.7830 (8)	0.8602 (5)	0.060 (5)
C308	0.4577 (6)	0.5320 (11)	0.8003 (5)	0.045 (4)
N318	0.9563 (7)	0.2656 (12)	0.6815 (6)	0.070 (5)
C326	0.7814 (6)	0.5178 (12)	0.9484 (5)	0.049 (5)
C315	0.5083 (7)	0.6361 (12)	0.7749 (6)	0.060 (6)
H315	0.504718	0.600510	0.751565	0.072*
N323	0.7814 (6)	−0.2528 (13)	0.4437 (6)	0.064 (5)
C324	0.7456 (5)	0.6448 (12)	0.9311 (5)	0.045 (4)
N315	0.9525 (6)	−0.0331 (11)	0.8344 (5)	0.063 (5)
N317	1.0596 (6)	−0.2722 (13)	0.8221 (7)	0.075 (6)
C344	0.9549 (6)	0.0847 (10)	0.7784 (6)	0.051 (5)
N311	0.8860 (6)	0.7814 (10)	1.0759 (5)	0.062 (5)
C332	0.7674 (7)	0.2822 (12)	0.9115 (6)	0.054 (5)
H332	0.752779	0.251674	0.888332	0.065*
N320	0.7785 (5)	0.2021 (9)	0.4808 (5)	0.057 (4)
C343	0.9791 (6)	−0.0426 (11)	0.8094 (6)	0.053 (5)
N303	0.4049 (6)	0.3932 (11)	0.7891 (5)	0.062 (5)
N304	0.4311 (5)	0.5221 (11)	0.8247 (5)	0.060 (4)
C306	0.4331 (7)	0.4068 (13)	0.7667 (6)	0.056 (5)
O2A	0.6090 (6)	0.4257 (12)	0.7337 (7)	0.086 (6)	0.8424
C351	0.9327 (7)	0.2264 (13)	0.7413 (6)	0.059 (5)
H351	0.916303	0.239692	0.760762	0.071*
C321	0.7090 (6)	0.6931 (11)	0.9051 (5)	0.046 (4)
C325	0.8013 (6)	0.6428 (12)	0.9821 (6)	0.047 (4)
C327	0.8305 (6)	0.6908 (10)	1.0135 (6)	0.053 (5)
C339	0.8959 (6)	0.0536 (12)	0.8546 (7)	0.058 (5)
C320	0.7008 (6)	0.7793 (12)	0.9129 (7)	0.063 (6)
H320	0.719279	0.810234	0.934005	0.075*
O3A	0.7444 (7)	0.4713 (12)	0.8143 (6)	0.098 (7)	0.8424
C329	0.8497 (8)	0.8161 (13)	1.0559 (6)	0.067 (6)
H329	0.842180	0.873658	1.063851	0.081*
C319	0.6648 (7)	0.8226 (13)	0.8895 (7)	0.069 (7)
H319	0.659190	0.882838	0.895349	0.082*
C340	0.8619 (7)	0.1063 (16)	0.8437 (9)	0.080 (7)
H340	0.856493	0.136057	0.818792	0.096*
C334	0.7848 (6)	0.4193 (10)	0.9453 (6)	0.050 (5)
C363	0.7845 (6)	−0.0679 (12)	0.4572 (6)	0.052 (5)
C357	0.8378 (8)	0.1963 (12)	0.5360 (7)	0.078 (8)
N319	0.8988 (6)	0.2823 (12)	0.5927 (5)	0.066 (5)
C314	0.5357 (7)	0.7064 (14)	0.7788 (6)	0.061 (5)
H314	0.550285	0.721569	0.758264	0.073*
C331	0.8683 (7)	0.6509 (13)	1.0360 (7)	0.067 (6)
H331	0.875660	0.591307	1.030770	0.081*
N305	0.3203 (7)	0.4067 (14)	0.8971 (7)	0.081 (6)
C322	0.6815 (6)	0.6499 (11)	0.8749 (6)	0.059 (6)
H322	0.686469	0.589268	0.869286	0.071*
C336	0.8123 (8)	0.2803 (12)	0.9724 (6)	0.067 (6)
H336	0.829911	0.248412	0.993708	0.080*
C342	0.9284 (7)	0.0374 (13)	0.8267 (5)	0.056 (5)
C352	0.9575 (6)	0.1500 (11)	0.7437 (5)	0.051 (5)
C333	0.7635 (6)	0.3704 (13)	0.9124 (6)	0.059 (5)
H333	0.746125	0.400532	0.890399	0.071*
C303	0.4312 (7)	0.3481 (13)	0.7324 (6)	0.055 (5)
C330	0.8943 (8)	0.6990 (13)	1.0655 (7)	0.069 (7)
H330	0.920149	0.671554	1.079446	0.083*
C317	0.4909 (8)	0.6649 (14)	0.8367 (7)	0.071 (6)
H317	0.475934	0.651798	0.857231	0.085*
C372	0.6564 (9)	0.2233 (14)	0.3714 (8)	0.096 (9)
H372	0.635429	0.194252	0.351613	0.115*
C345	1.0069 (7)	−0.1225 (12)	0.8113 (7)	0.060 (6)
C353	0.9831 (9)	0.1322 (16)	0.7164 (7)	0.078 (7)
H353	1.000917	0.080754	0.718151	0.094*
C362	0.7534 (7)	0.1645 (12)	0.4501 (7)	0.061 (6)
C354	0.9805 (9)	0.1972 (14)	0.6854 (8)	0.076 (7)
H354	0.998009	0.188392	0.666452	0.092*
C348	1.0587 (7)	−0.2172 (16)	0.7925 (7)	0.072 (7)
H348	1.076902	−0.228004	0.774267	0.086*
C371	0.6905 (8)	0.1710 (12)	0.3921 (8)	0.090 (8)
H371	0.694914	0.111015	0.384951	0.108*
C360	0.8076 (7)	0.1506 (13)	0.5010 (6)	0.059 (5)
C369	0.7119 (7)	0.3040 (13)	0.4317 (7)	0.066 (6)
H369	0.729462	0.334184	0.453525	0.079*
C349	1.0315 (9)	−0.1425 (17)	0.7870 (8)	0.084 (8)
H349	1.031180	−0.105187	0.764662	0.101*
C358	0.8352 (9)	0.2873 (13)	0.5432 (8)	0.085 (9)
H358	0.812635	0.322434	0.528114	0.102*
C368	0.6785 (7)	0.3481 (13)	0.4049 (7)	0.065 (6)
H368	0.675730	0.410774	0.407468	0.078*
C370	0.7178 (7)	0.2141 (13)	0.4243 (7)	0.066 (6)
C361	0.7858 (7)	0.0299 (12)	0.4652 (7)	0.064 (6)
C316	0.4852 (6)	0.6139 (12)	0.8036 (6)	0.053 (5)
C323	0.6464 (7)	0.6953 (11)	0.8526 (6)	0.071 (7)
H323	0.627307	0.665086	0.831706	0.086*
C364	0.8091 (8)	−0.1287 (13)	0.4841 (6)	0.066 (6)
H364	0.827124	−0.108119	0.508077	0.079*
C3A	0.6753 (8)	0.3271 (10)	0.8214 (5)	0.067 (7)	0.8424
H3A	0.672541	0.370673	0.840717	0.080*	0.8424
O1A	0.7102 (6)	0.2583 (13)	0.6945 (6)	0.094 (7)	0.8424
H1AA	0.736380	0.272625	0.697841	0.140*	0.8424
C365	0.8067 (8)	−0.2195 (12)	0.4749 (8)	0.075 (7)
H365	0.824685	−0.259277	0.492596	0.091*
C350	0.9325 (7)	0.2832 (16)	0.7091 (8)	0.074 (7)
H350	0.915215	0.335568	0.706429	0.089*
C337	0.8746 (10)	0.0266 (17)	0.9146 (9)	0.087 (8)
H337	0.879768	−0.000644	0.940050	0.105*
C367	0.7595 (9)	−0.1037 (12)	0.4239 (7)	0.082 (8)
H367	0.742602	−0.066368	0.404257	0.099*
C328	0.8212 (7)	0.7766 (12)	1.0242 (5)	0.053 (5)
H328	0.796264	0.807393	1.010415	0.064*
C312	0.3541 (10)	0.4618 (19)	0.9078 (8)	0.089 (8)
H312	0.359328	0.489311	0.933241	0.106*
C305	0.4638 (9)	0.2814 (17)	0.6831 (7)	0.077 (6)
H305	0.488528	0.278651	0.671547	0.093*
C356	0.8739 (8)	0.1520 (16)	0.5569 (8)	0.086 (8)
H356	0.879008	0.091846	0.550589	0.104*
C304	0.4653 (8)	0.3380 (17)	0.7157 (8)	0.079 (7)
H304	0.491138	0.369972	0.726222	0.095*
C366	0.7589 (9)	−0.1956 (13)	0.4189 (7)	0.077 (7)
H366	0.740664	−0.218820	0.395558	0.092*
C355	0.9017 (9)	0.1932 (12)	0.5860 (8)	0.089 (10)
H355	0.923959	0.159582	0.602419	0.107*
C4A	0.6796 (8)	0.3534 (9)	0.7838 (5)	0.062 (6)	0.8424
C347	1.0341 (11)	−0.2562 (18)	0.8439 (11)	0.112 (13)
H347	1.033086	−0.298742	0.864195	0.135*
C359	0.8656 (8)	0.3245 (12)	0.5723 (7)	0.073 (7)
H359	0.862467	0.385690	0.578187	0.088*
C2A	0.6751 (8)	0.2369 (11)	0.8308 (6)	0.065 (7)	0.8424
H2A	0.670692	0.218406	0.856038	0.078*	0.8424
C7A	0.6756 (7)	0.4507 (12)	0.7744 (7)	0.069 (6)	0.8424
C313	0.3810 (10)	0.4789 (19)	0.8824 (9)	0.094 (9)
H313	0.404034	0.520323	0.889990	0.113*
C1A	0.6814 (8)	0.1742 (11)	0.8029 (6)	0.075 (8)	0.8424
H1A	0.681893	0.112547	0.809445	0.090*	0.8424
C307	0.4064 (8)	0.4531 (14)	0.8191 (7)	0.067 (6)
C338	0.9034 (9)	0.0120 (19)	0.8910 (7)	0.085 (8)
H338	0.927753	−0.025596	0.899364	0.102*
C12A	0.7083 (8)	0.5087 (13)	0.7906 (8)	0.088 (8)	0.8424
C309	0.3754 (7)	0.4373 (15)	0.8462 (7)	0.067 (6)
C341	0.8345 (10)	0.1166 (19)	0.8699 (9)	0.102 (11)
H341	0.810437	0.155502	0.862188	0.122*
C8A	0.6395 (7)	0.4873 (12)	0.7500 (8)	0.074 (7)	0.8424
C318	0.5196 (10)	0.7386 (16)	0.8400 (10)	0.096 (9)
H318	0.522604	0.776936	0.862405	0.115*
C5A	0.6852 (6)	0.2902 (11)	0.7554 (5)	0.086 (8)	0.8424
C10A	0.6691 (9)	0.6331 (14)	0.7587 (8)	0.095 (9)	0.8424
H10A	0.667048	0.695180	0.753139	0.114*	0.8424
C311	0.3153 (11)	0.360 (2)	0.8647 (10)	0.110 (12)
H311	0.293888	0.314761	0.859304	0.132*
C335	0.8103 (8)	0.3682 (14)	0.9748 (7)	0.074 (7)
H335	0.826860	0.397248	0.997492	0.089*
C310	0.3420 (11)	0.377 (2)	0.8380 (8)	0.110 (12)
H310	0.336793	0.346314	0.813322	0.132*
C9A	0.6354 (8)	0.5773 (14)	0.7428 (8)	0.091 (8)	0.8424
H9A	0.609526	0.600829	0.726900	0.109*	0.8424
C302	0.3960 (10)	0.299 (2)	0.7176 (9)	0.103 (8)
H302	0.371120	0.299220	0.728982	0.123*
C15A	0.7812 (8)	0.527 (2)	0.8287 (10)	0.104 (12)	0.8424
H15A	0.794441	0.544071	0.806521	0.156*	0.8424
H15B	0.802267	0.494095	0.848536	0.156*	0.8424
H15C	0.771928	0.580498	0.840914	0.156*	0.8424
C13A	0.6882 (11)	0.3209 (16)	0.7142 (7)	0.101 (10)	0.8424
H13A	0.658633	0.330423	0.698177	0.121*	0.8424
H13B	0.703620	0.378738	0.716244	0.121*	0.8424
C6A	0.6871 (9)	0.2000 (11)	0.7659 (7)	0.089 (9)	0.8424
H6A	0.692282	0.156357	0.747400	0.107*	0.8424
C11A	0.7057 (9)	0.5990 (15)	0.7825 (8)	0.104 (9)	0.8424
H11A	0.729137	0.637240	0.793494	0.125*	0.8424
C346	1.0071 (11)	−0.184 (2)	0.8423 (10)	0.105 (10)
H346	0.989287	−0.176558	0.861065	0.126*
C301	0.3990 (12)	0.246 (2)	0.6825 (10)	0.118 (10)
H301	0.373169	0.217397	0.669066	0.141*
C14A	0.5692 (9)	0.456 (3)	0.7096 (13)	0.134 (15)	0.8424
H14A	0.574860	0.483930	0.685432	0.201*	0.8424
H14B	0.556013	0.500086	0.724521	0.201*	0.8424
H14C	0.549542	0.405580	0.702438	0.201*	0.8424
I409	0.9272 (8)	0.4924 (8)	0.6390 (7)	0.0777 (17)	0.19 (2)
Zn45	0.9532 (6)	0.3351 (13)	0.6297 (5)	0.0665 (12)	0.19 (2)
I410	1.0193 (7)	0.3015 (19)	0.6017 (9)	0.117 (9)	0.19 (2)
I406	0.5674 (3)	0.9758 (4)	0.8625 (3)	0.078 (2)	0.4533
Zn43	0.5911 (3)	0.8521 (6)	0.8208 (4)	0.058 (6)	0.4533
I405	0.6178 (2)	0.8841 (6)	0.7581 (3)	0.076 (3)	0.4533
I301	0.3927 (3)	0.0117 (5)	0.6367 (3)	0.165 (8)	0.60 (5)
Zn31	0.42793 (19)	0.1538 (5)	0.6198 (2)	0.052 (3)	0.60 (5)
I302	0.50072 (17)	0.1697 (7)	0.6001 (2)	0.092 (3)	0.60 (5)
I411	0.5643 (3)	0.4784 (5)	0.3858 (3)	0.113 (3)	0.3865
Zn46	0.5988 (6)	0.3755 (13)	0.3417 (4)	0.063 (4)	0.3865
I412	0.6287 (3)	0.4096 (6)	0.2812 (3)	0.085 (3)	0.3865
I404	0.3131 (10)	0.4707 (8)	1.0028 (6)	0.165 (7)	0.390 (19)
Zn42	0.2832 (7)	0.3871 (10)	0.9389 (6)	0.132 (9)	0.390 (19)
I403	0.2070 (6)	0.4142 (10)	0.8972 (8)	0.166 (6)	0.390 (19)
I506	0.5837 (12)	0.992 (3)	0.8492 (11)	0.080*	0.0658
I505	0.6147 (18)	0.876 (4)	0.7467 (15)	0.080*	0.0658
Zn53	0.5926 (17)	0.861 (8)	0.814 (4)	0.080*	0.0658
Zn44	0.7952 (4)	0.0961 (7)	0.9399 (4)	0.0776 (10)	0.4357
I407	0.7222 (4)	0.0420 (6)	0.9042 (5)	0.183 (7)	0.4357
I408	0.8278 (2)	0.0394 (6)	1.0085 (2)	0.084 (3)	0.4357
C809	0.6714 (11)	0.812 (3)	0.5914 (10)	0.080*	0.4805
H80A	0.666769	0.875583	0.597389	0.096*	0.4805
H80B	0.687977	0.809985	0.570052	0.096*	0.4805
C808	0.6974 (9)	0.766 (3)	0.6289 (10)	0.080*	0.4805
H80C	0.704426	0.704258	0.622238	0.096*	0.4805
H80D	0.724860	0.798382	0.638443	0.096*	0.4805
C807	0.6715 (11)	0.764 (3)	0.6620 (8)	0.080*	0.4805
H80E	0.687997	0.730343	0.685040	0.096*	0.4805
H80F	0.667380	0.825463	0.670761	0.096*	0.4805
C812	0.6271 (11)	0.720 (3)	0.6477 (10)	0.080*	0.4805
H81A	0.631189	0.655799	0.642232	0.096*	0.4805
H81B	0.610488	0.723532	0.669020	0.096*	0.4805
C811	0.6012 (9)	0.764 (3)	0.6100 (10)	0.080*	0.4805
H81C	0.593802	0.826099	0.616285	0.096*	0.4805
H81D	0.573929	0.731278	0.600492	0.096*	0.4805
C810	0.6273 (11)	0.766 (3)	0.5771 (8)	0.080*	0.4805
H81E	0.610684	0.798695	0.553696	0.096*	0.4805
H81F	0.631976	0.704539	0.568706	0.096*	0.4805
C806	0.563 (2)	0.574 (4)	1.0083 (16)	0.148 (19)	0.4203
H80G	0.572781	0.524796	1.027175	0.178*	0.4203
H80H	0.531590	0.582402	1.006077	0.178*	0.4203
C805	0.572 (2)	0.550 (4)	0.9673 (18)	0.16 (2)	0.4203
H80I	0.603077	0.536273	0.970022	0.191*	0.4203
H80J	0.555213	0.496159	0.956973	0.191*	0.4203
C804	0.559 (2)	0.627 (4)	0.9377 (12)	0.15 (2)	0.4203
H80K	0.527705	0.636567	0.932697	0.186*	0.4203
H80L	0.567114	0.611598	0.912124	0.186*	0.4203
C803	0.583 (2)	0.714 (4)	0.9539 (15)	0.142 (19)	0.4203
H80M	0.572993	0.763138	0.934879	0.170*	0.4203
H80N	0.614228	0.706438	0.956594	0.170*	0.4203
C802	0.573 (2)	0.737 (3)	0.9945 (16)	0.139 (19)	0.4203
H80O	0.541269	0.747973	0.991622	0.167*	0.4203
H80P	0.588169	0.792768	1.004850	0.167*	0.4203
C801	0.587 (2)	0.660 (4)	1.0240 (12)	0.135 (19)	0.4203
H80Q	0.618683	0.651169	1.027504	0.162*	0.4203
H80R	0.580838	0.675743	1.050179	0.162*	0.4203
C816	0.367 (3)	0.061 (5)	0.775 (3)	0.15 (3)	0.3159
H81G	0.350116	0.052804	0.796361	0.183*	0.3159
H81H	0.358314	0.118685	0.762057	0.183*	0.3159
C815	0.415 (3)	0.064 (4)	0.795 (3)	0.15 (3)	0.3159
H81I	0.432016	0.079814	0.774391	0.181*	0.3159
H81J	0.420577	0.110893	0.815493	0.181*	0.3159
C814	0.432 (2)	−0.026 (6)	0.814 (2)	0.15 (3)	0.3159
H81K	0.463353	−0.022919	0.823152	0.184*	0.3159
H81L	0.418507	−0.036620	0.836900	0.184*	0.3159
C813	0.420 (3)	−0.104 (5)	0.784 (3)	0.16 (3)	0.3159
H81M	0.427331	−0.160383	0.799284	0.189*	0.3159
H81N	0.438903	−0.100193	0.764596	0.189*	0.3159
C818	0.373 (3)	−0.105 (4)	0.763 (3)	0.15 (3)	0.3159
H81O	0.354982	−0.124385	0.781616	0.176*	0.3159
H81P	0.369277	−0.149987	0.741130	0.176*	0.3159
C817	0.357 (2)	−0.015 (6)	0.745 (2)	0.15 (3)	0.3159
H81Q	0.324918	−0.017916	0.735081	0.180*	0.3159
H81R	0.370067	−0.001607	0.722211	0.180*	0.3159
C4B	0.260 (2)	0.262 (2)	0.7397 (16)	0.083 (11)	0.248
C3B	0.274 (2)	0.334 (3)	0.7203 (16)	0.080 (14)	0.248
H3B	0.292686	0.324569	0.702020	0.096*	0.248
C2B	0.262 (3)	0.420 (2)	0.7277 (19)	0.079 (15)	0.248
H2B	0.271432	0.469438	0.714498	0.094*	0.248
C1B	0.235 (3)	0.434 (2)	0.755 (2)	0.082 (15)	0.248
H1B	0.226537	0.493055	0.759572	0.099*	0.248
C6B	0.221 (2)	0.362 (3)	0.7739 (17)	0.081 (14)	0.248
H6B	0.202896	0.371802	0.792168	0.097*	0.248
C5B	0.2337 (19)	0.276 (3)	0.7665 (15)	0.085 (12)	0.248
O2B	0.2085 (16)	0.164 (4)	0.6788 (15)	0.080 (13)	0.248
O3B	0.338 (2)	0.185 (4)	0.7769 (19)	0.101 (17)	0.248
C7B	0.2722 (17)	0.170 (3)	0.7293 (16)	0.092 (13)	0.248
C12B	0.3131 (17)	0.137 (3)	0.7466 (18)	0.098 (15)	0.248
C11B	0.3282 (17)	0.059 (4)	0.732 (2)	0.097 (17)	0.248
H11B	0.356111	0.037325	0.744131	0.117*	0.248
C10B	0.303 (2)	0.014 (3)	0.7006 (19)	0.094 (17)	0.248
H10B	0.312955	−0.038938	0.690830	0.113*	0.248
C9B	0.262 (2)	0.047 (3)	0.6833 (17)	0.101 (17)	0.248
H9B	0.244259	0.015676	0.661666	0.121*	0.248
C8B	0.2466 (16)	0.124 (3)	0.6976 (17)	0.086 (14)	0.248
C13B	0.219 (2)	0.199 (6)	0.789 (3)	0.090 (17)	0.248
H13C	0.196031	0.218720	0.802240	0.109*	0.248
H13D	0.206905	0.150862	0.769602	0.109*	0.248
O1B	0.255 (2)	0.166 (6)	0.817 (2)	0.11 (2)	0.248
H1BA	0.268960	0.208796	0.829378	0.170*	0.248
C15B	0.379 (3)	0.144 (7)	0.795 (4)	0.11 (3)	0.248
H15D	0.387081	0.100714	0.776714	0.162*	0.248
H15E	0.376120	0.114322	0.819659	0.162*	0.248
H15F	0.401286	0.190546	0.801111	0.162*	0.248
C14B	0.184 (3)	0.121 (8)	0.644 (3)	0.12 (3)	0.248
H14D	0.167259	0.165288	0.626298	0.185*	0.248
H14E	0.164522	0.076510	0.651474	0.185*	0.248
H14F	0.204009	0.090593	0.629686	0.185*	0.248

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I309	0.095 (3)	0.0322 (7)	0.087 (3)	−0.0112 (11)	−0.025 (2)	−0.0006 (10)
I305	0.090 (4)	0.054 (3)	0.098 (5)	−0.021 (3)	−0.010 (3)	0.036 (3)
I304	0.084 (3)	0.0349 (15)	0.079 (2)	−0.0067 (14)	0.0265 (18)	−0.0079 (13)
I401	0.082 (8)	0.045 (4)	0.056 (5)	0.007 (3)	−0.042 (3)	0.003 (3)
I306	0.064 (3)	0.033 (2)	0.113 (6)	−0.0108 (17)	−0.019 (3)	−0.008 (3)
I307	0.070 (3)	0.031 (3)	0.149 (4)	−0.0080 (19)	−0.014 (3)	0.026 (2)
I308	0.267 (10)	0.042 (3)	0.155 (7)	0.064 (4)	0.093 (6)	0.054 (4)
I303	0.082 (2)	0.0389 (17)	0.100 (3)	0.0017 (16)	−0.009 (3)	0.0095 (17)
I402	0.212 (19)	0.237 (18)	0.053 (6)	0.157 (16)	−0.003 (6)	0.008 (6)
I312	0.073 (3)	0.080 (3)	0.111 (4)	0.013 (2)	−0.011 (2)	0.034 (2)
I310	0.109 (2)	0.103 (4)	0.081 (2)	−0.028 (2)	0.0142 (16)	−0.005 (3)
I311	0.102 (3)	0.0286 (15)	0.108 (3)	−0.0027 (14)	−0.019 (2)	−0.0054 (15)
Zn41	0.19 (2)	0.020 (8)	0.077 (14)	0.030 (8)	−0.045 (12)	−0.010 (7)
Zn33	0.063 (6)	0.028 (5)	0.077 (6)	−0.021 (4)	−0.015 (4)	−0.002 (4)
Zn35	0.085 (2)	0.0393 (19)	0.0584 (18)	−0.0055 (16)	−0.0240 (16)	0.0050 (14)
Zn34	0.103 (3)	0.0251 (13)	0.105 (3)	0.0042 (14)	0.023 (2)	0.0164 (14)
Zn36	0.056 (5)	0.030 (3)	0.091 (5)	−0.001 (3)	−0.029 (4)	0.013 (3)
Zn32	0.058 (3)	0.037 (4)	0.067 (3)	−0.005 (2)	0.014 (3)	−0.002 (2)
N309	0.046 (8)	0.014 (6)	0.057 (9)	−0.002 (5)	−0.006 (7)	−0.006 (6)
N310	0.052 (9)	0.021 (7)	0.066 (10)	0.006 (6)	−0.012 (7)	0.007 (6)
N324	0.072 (10)	0.022 (7)	0.075 (10)	−0.003 (7)	−0.020 (8)	0.009 (7)
N316	0.067 (10)	0.015 (6)	0.063 (10)	0.008 (6)	−0.030 (8)	0.003 (6)
N306	0.058 (10)	0.028 (8)	0.071 (11)	0.001 (7)	−0.020 (9)	0.009 (7)
N301	0.057 (9)	0.038 (8)	0.052 (9)	−0.005 (7)	−0.007 (7)	0.013 (7)
N313	0.087 (12)	0.021 (7)	0.066 (11)	0.008 (7)	0.006 (9)	−0.006 (7)
N302	0.065 (10)	0.038 (8)	0.052 (9)	−0.001 (7)	0.001 (8)	−0.006 (7)
N322	0.072 (11)	0.026 (7)	0.065 (10)	−0.006 (7)	−0.021 (9)	0.005 (7)
N314	0.054 (10)	0.034 (8)	0.064 (10)	−0.002 (7)	−0.022 (8)	−0.003 (7)
N308	0.067 (10)	0.026 (7)	0.043 (8)	−0.003 (6)	−0.011 (7)	0.006 (6)
N321	0.073 (11)	0.015 (7)	0.074 (11)	−0.002 (6)	−0.028 (9)	−0.001 (6)
N312	0.068 (11)	0.047 (10)	0.071 (12)	0.001 (8)	−0.005 (9)	0.013 (8)
N307	0.059 (9)	0.012 (6)	0.086 (12)	−0.009 (6)	−0.033 (9)	0.003 (7)
C308	0.047 (10)	0.031 (9)	0.048 (10)	−0.008 (7)	−0.011 (8)	−0.004 (7)
N318	0.080 (13)	0.048 (10)	0.065 (11)	0.014 (9)	−0.022 (10)	−0.002 (8)
C326	0.053 (11)	0.037 (9)	0.047 (10)	−0.003 (8)	−0.014 (8)	−0.004 (8)
C315	0.066 (13)	0.037 (10)	0.057 (12)	−0.002 (9)	−0.034 (10)	0.001 (8)
N323	0.058 (11)	0.063 (11)	0.073 (12)	0.003 (9)	0.018 (9)	−0.005 (9)
C324	0.037 (9)	0.039 (9)	0.053 (10)	0.002 (7)	−0.007 (8)	0.011 (8)
N315	0.066 (11)	0.039 (9)	0.067 (11)	0.002 (8)	−0.022 (9)	−0.022 (8)
N317	0.047 (11)	0.060 (12)	0.100 (16)	0.013 (9)	−0.024 (10)	0.005 (11)
C344	0.057 (11)	0.022 (8)	0.055 (11)	0.005 (7)	−0.030 (9)	−0.015 (7)
N311	0.078 (11)	0.038 (9)	0.051 (9)	−0.022 (8)	−0.027 (8)	0.010 (7)
C332	0.070 (13)	0.032 (9)	0.048 (10)	0.003 (8)	−0.017 (9)	0.004 (8)
N320	0.065 (10)	0.026 (7)	0.062 (10)	0.000 (7)	−0.025 (8)	0.011 (7)
C343	0.053 (11)	0.025 (8)	0.061 (12)	−0.002 (7)	−0.036 (10)	−0.008 (8)
N303	0.077 (12)	0.049 (10)	0.059 (10)	−0.018 (9)	0.009 (9)	−0.004 (8)
N304	0.053 (10)	0.046 (9)	0.072 (11)	−0.017 (8)	−0.004 (8)	−0.009 (8)
C306	0.062 (12)	0.047 (11)	0.050 (11)	−0.010 (9)	−0.007 (9)	−0.006 (9)
O2A	0.084 (13)	0.053 (11)	0.127 (16)	0.031 (9)	0.032 (12)	0.027 (11)
C351	0.070 (13)	0.045 (11)	0.055 (11)	0.009 (9)	−0.003 (10)	0.001 (9)
C321	0.055 (11)	0.025 (8)	0.051 (10)	−0.009 (7)	−0.006 (8)	0.008 (7)
C325	0.040 (9)	0.038 (9)	0.058 (11)	−0.002 (7)	0.000 (8)	−0.005 (8)
C327	0.065 (12)	0.017 (7)	0.058 (11)	−0.012 (7)	−0.031 (9)	0.006 (7)
C339	0.055 (11)	0.034 (10)	0.074 (14)	0.001 (8)	−0.012 (10)	−0.004 (9)
C320	0.057 (12)	0.031 (9)	0.080 (14)	−0.006 (8)	−0.032 (10)	−0.003 (9)
O3A	0.16 (2)	0.065 (12)	0.077 (13)	−0.060 (13)	0.048 (13)	−0.026 (10)
C329	0.090 (16)	0.038 (10)	0.061 (13)	−0.012 (10)	−0.015 (11)	0.010 (9)
C319	0.058 (12)	0.030 (9)	0.100 (17)	0.011 (8)	−0.022 (12)	0.002 (10)
C340	0.062 (14)	0.057 (14)	0.12 (2)	0.023 (11)	0.008 (14)	0.028 (14)
C334	0.052 (10)	0.017 (7)	0.073 (12)	0.000 (7)	−0.006 (9)	0.014 (8)
C363	0.052 (11)	0.033 (9)	0.067 (12)	0.000 (8)	0.006 (9)	−0.002 (8)
C357	0.102 (17)	0.024 (9)	0.081 (15)	−0.009 (10)	−0.043 (13)	0.016 (9)
N319	0.070 (11)	0.064 (11)	0.051 (10)	0.004 (9)	−0.016 (8)	0.014 (8)
C314	0.054 (12)	0.057 (12)	0.059 (12)	−0.006 (9)	−0.017 (10)	−0.006 (10)
C331	0.067 (13)	0.031 (10)	0.084 (15)	0.006 (9)	−0.027 (11)	0.003 (9)
N305	0.094 (15)	0.072 (13)	0.087 (15)	−0.022 (12)	0.043 (12)	−0.006 (11)
C322	0.065 (12)	0.023 (8)	0.073 (13)	−0.004 (8)	−0.019 (10)	−0.009 (8)
C336	0.100 (17)	0.032 (10)	0.052 (11)	0.014 (10)	−0.022 (11)	0.009 (8)
C342	0.068 (13)	0.047 (11)	0.038 (9)	0.000 (9)	−0.027 (9)	−0.005 (8)
C352	0.058 (11)	0.032 (9)	0.046 (10)	0.012 (8)	−0.030 (9)	−0.006 (7)
C333	0.049 (11)	0.046 (11)	0.071 (13)	0.002 (9)	−0.011 (10)	−0.006 (9)
C303	0.066 (12)	0.044 (10)	0.048 (10)	−0.015 (9)	−0.007 (9)	−0.013 (8)
C330	0.082 (15)	0.034 (10)	0.072 (14)	−0.008 (10)	−0.029 (12)	−0.003 (9)
C317	0.084 (16)	0.047 (12)	0.080 (15)	−0.022 (11)	0.015 (13)	−0.002 (11)
C372	0.108 (16)	0.033 (10)	0.111 (17)	−0.004 (11)	−0.059 (14)	0.000 (11)
C345	0.058 (12)	0.028 (9)	0.082 (15)	0.007 (8)	−0.013 (11)	0.005 (9)
C353	0.101 (19)	0.064 (15)	0.065 (14)	0.039 (13)	0.005 (13)	0.023 (11)
C362	0.067 (13)	0.024 (9)	0.080 (14)	0.010 (8)	−0.012 (11)	0.014 (9)
C354	0.101 (18)	0.043 (12)	0.083 (16)	0.019 (12)	0.015 (14)	0.023 (11)
C348	0.066 (14)	0.067 (14)	0.064 (14)	0.001 (11)	−0.028 (11)	0.000 (11)
C371	0.104 (15)	0.021 (8)	0.107 (16)	0.015 (9)	−0.061 (13)	0.013 (9)
C360	0.080 (14)	0.043 (11)	0.049 (11)	0.003 (10)	−0.001 (10)	−0.004 (8)
C369	0.062 (12)	0.041 (10)	0.082 (13)	−0.002 (9)	−0.017 (10)	0.000 (9)
C349	0.099 (19)	0.067 (15)	0.067 (15)	0.025 (14)	−0.026 (14)	−0.015 (12)
C358	0.107 (19)	0.025 (10)	0.100 (18)	−0.007 (11)	−0.031 (15)	0.008 (10)
C368	0.060 (11)	0.034 (9)	0.081 (13)	0.006 (8)	−0.031 (10)	−0.011 (9)
C370	0.074 (12)	0.032 (9)	0.074 (13)	−0.003 (9)	−0.023 (10)	0.014 (9)
C361	0.081 (15)	0.022 (9)	0.075 (14)	0.000 (9)	−0.012 (11)	0.001 (8)
C316	0.060 (12)	0.035 (9)	0.055 (11)	−0.006 (8)	−0.007 (9)	−0.005 (8)
C323	0.086 (15)	0.021 (8)	0.078 (14)	0.001 (9)	−0.048 (12)	−0.010 (8)
C364	0.091 (16)	0.042 (11)	0.054 (12)	−0.007 (10)	−0.006 (11)	0.006 (9)
C3A	0.074 (14)	0.015 (9)	0.099 (17)	0.006 (9)	−0.012 (13)	−0.003 (10)
O1A	0.082 (14)	0.063 (12)	0.129 (18)	−0.016 (10)	0.007 (12)	−0.037 (12)
C365	0.076 (15)	0.022 (9)	0.12 (2)	0.016 (9)	0.006 (14)	0.030 (11)
C350	0.060 (13)	0.059 (13)	0.086 (17)	−0.016 (11)	−0.028 (12)	0.026 (12)
C337	0.11 (2)	0.062 (15)	0.087 (18)	0.003 (14)	0.004 (16)	0.008 (13)
C367	0.12 (2)	0.016 (9)	0.088 (16)	−0.011 (10)	−0.035 (14)	−0.006 (9)
C328	0.080 (13)	0.037 (9)	0.032 (8)	0.007 (9)	−0.012 (9)	0.002 (7)
C312	0.12 (2)	0.086 (19)	0.080 (17)	−0.028 (17)	0.057 (16)	−0.014 (14)
C305	0.088 (15)	0.070 (14)	0.070 (13)	−0.006 (12)	0.009 (12)	−0.020 (11)
C356	0.087 (17)	0.056 (14)	0.093 (18)	0.013 (12)	−0.034 (14)	−0.001 (12)
C304	0.078 (14)	0.069 (14)	0.093 (15)	−0.021 (11)	0.023 (12)	−0.037 (12)
C366	0.12 (2)	0.034 (11)	0.056 (13)	−0.011 (12)	−0.017 (13)	0.004 (9)
C355	0.110 (19)	0.018 (9)	0.103 (18)	0.003 (10)	−0.057 (15)	0.007 (10)
C4A	0.083 (14)	0.012 (9)	0.087 (15)	0.001 (9)	0.009 (12)	0.000 (9)
C347	0.10 (2)	0.052 (16)	0.16 (3)	0.011 (15)	−0.02 (2)	0.067 (19)
C359	0.088 (16)	0.024 (9)	0.083 (15)	−0.013 (9)	−0.035 (13)	0.005 (9)
C2A	0.055 (13)	0.039 (12)	0.090 (16)	−0.008 (10)	−0.009 (12)	0.016 (11)
C7A	0.102 (17)	0.037 (11)	0.075 (14)	0.000 (11)	0.034 (13)	0.000 (10)
C313	0.11 (2)	0.081 (18)	0.10 (2)	−0.040 (16)	0.039 (17)	−0.043 (16)
C1A	0.052 (13)	0.051 (13)	0.11 (2)	−0.005 (11)	−0.012 (14)	0.025 (13)
C307	0.082 (15)	0.050 (12)	0.064 (13)	−0.012 (11)	0.002 (11)	−0.014 (10)
C338	0.085 (17)	0.10 (2)	0.064 (14)	0.046 (15)	0.002 (13)	0.030 (14)
C12A	0.16 (2)	0.040 (12)	0.073 (15)	−0.021 (14)	0.047 (15)	−0.007 (11)
C309	0.065 (13)	0.062 (14)	0.071 (14)	−0.013 (11)	0.008 (11)	−0.003 (11)
C341	0.12 (2)	0.09 (2)	0.11 (2)	0.050 (17)	0.049 (19)	0.067 (18)
C8A	0.105 (17)	0.042 (12)	0.088 (16)	0.012 (12)	0.046 (14)	0.009 (11)
C318	0.11 (2)	0.052 (14)	0.11 (2)	−0.024 (14)	−0.002 (18)	−0.050 (15)
C5A	0.096 (16)	0.030 (11)	0.122 (19)	0.004 (11)	−0.003 (16)	−0.016 (12)
C10A	0.18 (3)	0.046 (14)	0.073 (17)	0.020 (16)	0.061 (18)	−0.004 (12)
C311	0.12 (2)	0.10 (2)	0.14 (3)	−0.049 (19)	0.09 (2)	−0.04 (2)
C335	0.098 (17)	0.046 (12)	0.060 (13)	0.006 (11)	−0.029 (12)	−0.001 (10)
C310	0.15 (3)	0.12 (2)	0.062 (15)	−0.09 (2)	0.013 (16)	−0.014 (15)
C9A	0.15 (2)	0.055 (15)	0.080 (17)	0.022 (15)	0.058 (17)	0.004 (13)
C302	0.106 (17)	0.105 (17)	0.105 (17)	−0.039 (15)	0.042 (14)	−0.064 (14)
C15A	0.14 (3)	0.07 (2)	0.12 (3)	−0.05 (2)	0.06 (2)	−0.036 (18)
C13A	0.14 (2)	0.053 (16)	0.11 (2)	0.022 (16)	0.01 (2)	−0.029 (15)
C6A	0.074 (16)	0.033 (12)	0.15 (2)	0.005 (11)	0.006 (17)	0.003 (14)
C11A	0.18 (3)	0.077 (18)	0.067 (16)	−0.008 (19)	0.056 (18)	0.002 (14)
C346	0.12 (2)	0.09 (2)	0.12 (3)	0.030 (18)	0.04 (2)	0.033 (18)
C301	0.13 (2)	0.099 (18)	0.117 (19)	−0.043 (17)	0.013 (17)	−0.057 (16)
C14A	0.11 (3)	0.11 (3)	0.18 (4)	0.03 (2)	0.05 (3)	0.06 (3)
I409	0.095 (3)	0.0322 (7)	0.087 (3)	−0.0112 (11)	−0.025 (2)	−0.0006 (10)
Zn45	0.085 (2)	0.0393 (19)	0.0584 (18)	−0.0055 (16)	−0.0240 (16)	0.0050 (14)
I410	0.146 (15)	0.066 (12)	0.120 (15)	−0.028 (9)	−0.015 (10)	0.017 (10)
I406	0.079 (6)	0.026 (3)	0.111 (7)	0.012 (3)	−0.026 (3)	−0.024 (3)
Zn43	0.056 (6)	0.018 (4)	0.075 (10)	0.019 (4)	−0.040 (6)	−0.002 (4)
I405	0.049 (3)	0.070 (4)	0.090 (6)	0.020 (2)	−0.031 (3)	0.032 (4)
I301	0.273 (17)	0.021 (3)	0.134 (7)	−0.027 (4)	−0.107 (7)	0.012 (3)
Zn31	0.054 (5)	0.053 (7)	0.035 (5)	0.018 (4)	−0.024 (3)	−0.007 (4)
I302	0.071 (5)	0.115 (5)	0.084 (5)	0.048 (4)	0.003 (2)	0.020 (3)
I411	0.101 (4)	0.045 (3)	0.182 (9)	−0.012 (3)	0.002 (6)	−0.018 (4)
Zn46	0.048 (6)	0.027 (5)	0.103 (9)	−0.011 (4)	−0.011 (6)	0.005 (6)
I412	0.081 (6)	0.059 (4)	0.094 (5)	−0.020 (4)	−0.027 (4)	0.035 (3)
I404	0.323 (19)	0.048 (5)	0.174 (11)	−0.084 (8)	0.164 (12)	−0.053 (6)
Zn42	0.23 (2)	0.012 (5)	0.184 (18)	−0.001 (9)	0.109 (16)	0.005 (8)
I403	0.211 (12)	0.106 (8)	0.222 (15)	0.104 (8)	0.137 (10)	0.097 (8)
Zn44	0.103 (3)	0.0251 (13)	0.105 (3)	0.0042 (14)	0.023 (2)	0.0164 (14)
I407	0.195 (10)	0.029 (4)	0.352 (17)	−0.037 (5)	0.122 (10)	−0.017 (6)
I408	0.094 (4)	0.089 (6)	0.071 (4)	0.042 (4)	0.023 (3)	0.049 (4)
C806	0.10 (3)	0.23 (5)	0.11 (3)	−0.03 (3)	0.00 (3)	−0.04 (3)
C805	0.13 (4)	0.23 (5)	0.10 (3)	−0.02 (4)	0.00 (3)	−0.04 (3)
C804	0.12 (4)	0.23 (5)	0.10 (3)	−0.02 (3)	0.00 (3)	−0.04 (3)
C803	0.10 (3)	0.23 (5)	0.09 (3)	−0.02 (3)	0.01 (3)	−0.04 (3)
C802	0.10 (3)	0.23 (5)	0.09 (3)	−0.02 (3)	0.00 (3)	−0.03 (3)
C801	0.09 (3)	0.22 (5)	0.09 (3)	−0.02 (3)	0.01 (3)	−0.03 (3)
C816	0.17 (5)	0.11 (4)	0.19 (6)	−0.03 (4)	0.10 (5)	−0.04 (4)
C815	0.17 (5)	0.12 (4)	0.19 (6)	−0.04 (4)	0.11 (5)	−0.03 (4)
C814	0.17 (5)	0.12 (4)	0.20 (6)	−0.04 (4)	0.09 (5)	−0.03 (4)
C813	0.17 (5)	0.13 (4)	0.20 (6)	−0.03 (4)	0.10 (5)	−0.04 (4)
C818	0.17 (5)	0.12 (4)	0.19 (6)	−0.03 (4)	0.10 (5)	−0.05 (4)
C817	0.17 (5)	0.12 (4)	0.19 (6)	−0.03 (4)	0.11 (5)	−0.04 (4)
C4B	0.09 (3)	0.062 (19)	0.09 (3)	0.007 (19)	0.006 (19)	0.020 (18)
C3B	0.08 (3)	0.06 (2)	0.09 (3)	0.00 (2)	0.00 (2)	0.02 (2)
C2B	0.07 (3)	0.06 (2)	0.09 (4)	0.00 (2)	−0.01 (3)	0.01 (2)
C1B	0.08 (3)	0.07 (2)	0.09 (4)	0.00 (2)	0.00 (3)	0.01 (2)
C6B	0.08 (3)	0.07 (2)	0.09 (3)	0.00 (2)	0.00 (3)	0.01 (2)
C5B	0.09 (3)	0.07 (2)	0.10 (3)	0.00 (2)	0.01 (2)	0.01 (2)
O2B	0.12 (3)	0.08 (3)	0.05 (2)	0.01 (2)	0.04 (2)	0.01 (2)
O3B	0.13 (3)	0.05 (3)	0.11 (3)	0.01 (2)	0.02 (2)	0.00 (2)
C7B	0.12 (3)	0.062 (19)	0.09 (3)	0.011 (18)	0.02 (2)	0.022 (18)
C12B	0.13 (3)	0.05 (2)	0.11 (3)	0.02 (2)	0.01 (2)	0.00 (2)
C11B	0.14 (3)	0.05 (2)	0.10 (3)	0.02 (2)	0.03 (3)	0.01 (2)
C10B	0.13 (3)	0.06 (3)	0.10 (3)	0.01 (2)	0.04 (3)	0.01 (2)
C9B	0.13 (3)	0.08 (3)	0.10 (3)	0.02 (2)	0.04 (3)	0.01 (2)
C8B	0.12 (3)	0.07 (2)	0.08 (3)	0.01 (2)	0.03 (2)	0.018 (19)
C13B	0.10 (3)	0.07 (3)	0.11 (4)	0.00 (3)	0.02 (3)	0.01 (3)
O1B	0.10 (4)	0.12 (5)	0.12 (5)	0.02 (4)	0.03 (3)	0.05 (4)
C15B	0.14 (4)	0.05 (5)	0.13 (6)	0.00 (3)	0.00 (3)	0.00 (4)
C14B	0.15 (5)	0.16 (7)	0.06 (4)	0.00 (5)	0.03 (3)	−0.02 (4)

Geometric parameters (Å, º)

I309—Zn35	2.541 (5)	O1A—H1AA	0.8400
I305—Zn33	2.519 (14)	O1A—C13A	1.423 (17)
I304—Zn32	2.524 (8)	C365—H365	0.9500
I401—Zn41	2.509 (12)	C350—H350	0.9500
I306—Zn33	2.538 (13)	C337—H337	0.9500
I307—Zn34	2.513 (9)	C337—C338	1.36 (4)
I308—Zn34	2.516 (9)	C367—H367	0.9500
I303—Zn32	2.546 (8)	C367—C366	1.39 (3)
I402—Zn41	2.546 (14)	C328—H328	0.9500
I312—Zn36	2.504 (11)	C312—H312	0.9500
I310—Zn35	2.549 (6)	C312—C313	1.37 (3)
I311—Zn36	2.555 (10)	C305—H305	0.9500
Zn41—N301	2.03 (2)	C305—C304	1.40 (3)
Zn41—N311^i	2.07 (2)	C356—H356	0.9500
Zn33—N306	2.079 (18)	C356—C355	1.33 (3)
Zn33—N307	2.070 (17)	C304—H304	0.9500
Zn35—N318	2.05 (2)	C366—H366	0.9500
Zn35—N319	2.080 (17)	C355—H355	0.9500
Zn34—N313	2.07 (2)	C4A—C7A	1.493 (16)
Zn34—N312	2.080 (19)	C4A—C5A	1.399 (14)
Zn36—N324	2.105 (16)	C347—H347	0.9500
Zn36—N317^ii	2.14 (2)	C347—C346	1.37 (4)
Zn32—N323^iii	2.06 (2)	C359—H359	0.9500
Zn32—N305	2.06 (2)	C2A—H2A	0.9500
N309—C324	1.28 (2)	C2A—C1A	1.387 (15)
N309—C325	1.33 (2)	C7A—C12A	1.377 (16)
N310—C326	1.33 (2)	C7A—C8A	1.380 (16)
N310—C325	1.33 (2)	C313—H313	0.9500
N324—C372	1.28 (3)	C313—C309	1.37 (3)
N324—C368	1.31 (2)	C1A—H1A	0.9500
N324—Zn46	2.095 (19)	C1A—C6A	1.380 (15)
N316—C344	1.36 (2)	C307—C309	1.51 (3)
N316—C343	1.39 (3)	C338—H338	0.9500
N306—C314	1.36 (3)	C12A—C11A	1.381 (17)
N306—C318	1.30 (3)	C309—C310	1.37 (3)
N306—Zn43	2.110 (19)	C341—H341	0.9500
N306—Zn53	2.26 (8)	C8A—C9A	1.374 (16)
N301—C305	1.26 (3)	C318—H318	0.9500
N301—C301	1.24 (4)	C5A—C13A	1.513 (18)
N301—Zn31	2.042 (18)	C5A—C6A	1.397 (15)
N313—C337	1.36 (3)	C10A—H10A	0.9500
N313—C341	1.27 (3)	C10A—C9A	1.375 (17)
N313—Zn44	2.07 (2)	C10A—C11A	1.368 (17)
N302—C308	1.36 (2)	C311—H311	0.9500
N302—C306	1.34 (2)	C311—C310	1.40 (4)
N322—C362	1.40 (2)	C335—H335	0.9500
N322—C361	1.34 (2)	C310—H310	0.9500
N314—C344	1.27 (3)	C9A—H9A	0.9500
N314—C342	1.31 (2)	C302—H302	0.9500
N308—C326	1.33 (2)	C302—C301	1.47 (4)
N308—C324	1.35 (2)	C15A—H15A	0.9800
N321—C360	1.33 (2)	C15A—H15B	0.9800
N321—C361	1.34 (2)	C15A—H15C	0.9800
N312—C332	1.32 (2)	C13A—H13A	0.9900
N312—C336	1.35 (3)	C13A—H13B	0.9900
N312—Zn44	2.08 (2)	C6A—H6A	0.9500
N307—C319	1.30 (2)	C11A—H11A	0.9500
N307—C323	1.37 (2)	C346—H346	0.9500
N307—Zn43	2.081 (16)	C301—H301	0.9500
N307—Zn53	2.26 (8)	C14A—H14A	0.9800
C308—N304	1.32 (3)	C14A—H14B	0.9800
C308—C316	1.50 (2)	C14A—H14C	0.9800
N318—C354	1.27 (3)	I409—Zn45	2.540 (16)
N318—C350	1.36 (3)	Zn45—I410	2.529 (16)
N318—Zn45	2.05 (3)	I406—Zn43	2.552 (13)
C326—C334	1.49 (2)	Zn43—I405	2.523 (15)
C315—H315	0.9500	I301—Zn31	2.526 (8)
C315—C314	1.35 (3)	Zn31—I302	2.545 (6)
C315—C316	1.39 (3)	I411—Zn46	2.564 (13)
N323—C365	1.30 (3)	Zn46—I412	2.513 (14)
N323—C366	1.31 (3)	I404—Zn42	2.533 (14)
N323—Zn42^iv	2.02 (2)	Zn42—I403	2.563 (15)
C324—C321	1.49 (2)	I506—Zn53	2.36 (14)
N315—C343	1.33 (3)	I505—Zn53	2.55 (15)
N315—C342	1.30 (2)	Zn44—I407	2.512 (12)
N317—C348	1.31 (3)	Zn44—I408	2.515 (11)
N317—C347	1.24 (4)	C809—H80A	0.9900
N317—Zn46^v	2.01 (3)	C809—H80B	0.9900
C344—C352	1.56 (3)	C809—C808	1.540 (13)
N311—C329	1.32 (3)	C809—C810	1.537 (13)
N311—C330	1.33 (3)	C808—H80C	0.9900
C332—H332	0.9500	C808—H80D	0.9900
C332—C333	1.33 (3)	C808—C807	1.536 (13)
N320—C362	1.31 (2)	C807—H80E	0.9900
N320—C360	1.29 (2)	C807—H80F	0.9900
C343—C345	1.48 (3)	C807—C812	1.535 (13)
N303—C306	1.31 (3)	C812—H81A	0.9900
N303—C307	1.36 (3)	C812—H81B	0.9900
N304—C307	1.29 (3)	C812—C811	1.533 (13)
C306—C303	1.46 (3)	C811—H81C	0.9900
O2A—C8A	1.367 (17)	C811—H81D	0.9900
O2A—C14A	1.428 (18)	C811—C810	1.537 (13)
C351—H351	0.9500	C810—H81E	0.9900
C351—C352	1.38 (3)	C810—H81F	0.9900
C351—C350	1.40 (3)	C806—H80G	0.9900
C321—C320	1.36 (3)	C806—H80H	0.9900
C321—C322	1.37 (2)	C806—C805	1.538 (13)
C325—C327	1.46 (2)	C806—C801	1.539 (14)
C327—C331	1.41 (2)	C805—H80I	0.9900
C327—C328	1.39 (2)	C805—H80J	0.9900
C339—C340	1.32 (3)	C805—C804	1.537 (14)
C339—C342	1.57 (3)	C804—H80K	0.9900
C339—C338	1.37 (3)	C804—H80L	0.9900
C320—H320	0.9500	C804—C803	1.537 (14)
C320—C319	1.41 (2)	C803—H80M	0.9900
O3A—C12A	1.374 (17)	C803—H80N	0.9900
O3A—C15A	1.430 (17)	C803—C802	1.539 (13)
C329—H329	0.9500	C802—H80O	0.9900
C329—C328	1.39 (3)	C802—H80P	0.9900
C319—H319	0.9500	C802—C801	1.540 (13)
C340—H340	0.9500	C801—H80Q	0.9900
C340—C341	1.39 (4)	C801—H80R	0.9900
C334—C333	1.40 (3)	C816—H81G	0.9900
C334—C335	1.39 (3)	C816—H81H	0.9900
C363—C361	1.49 (2)	C816—C815	1.535 (13)
C363—C364	1.41 (3)	C816—C817	1.533 (14)
C363—C367	1.36 (3)	C815—H81I	0.9900
C357—C360	1.53 (3)	C815—H81J	0.9900
C357—C358	1.39 (3)	C815—C814	1.534 (14)
C357—C356	1.39 (3)	C814—H81K	0.9900
N319—C355	1.36 (3)	C814—H81L	0.9900
N319—C359	1.30 (3)	C814—C813	1.531 (13)
N319—Zn45	2.07 (2)	C813—H81M	0.9900
C314—H314	0.9500	C813—H81N	0.9900
C331—H331	0.9500	C813—C818	1.531 (13)
C331—C330	1.37 (3)	C818—H81O	0.9900
N305—C312	1.34 (3)	C818—H81P	0.9900
N305—C311	1.30 (3)	C818—C817	1.532 (14)
N305—Zn42	2.06 (2)	C817—H81Q	0.9900
C322—H322	0.9500	C817—H81R	0.9900
C322—C323	1.39 (3)	C4B—C3B	1.3900
C336—H336	0.9500	C4B—C5B	1.3900
C336—C335	1.32 (3)	C4B—C7B	1.50 (2)
C352—C353	1.39 (3)	C3B—H3B	0.9500
C333—H333	0.9500	C3B—C2B	1.3900
C303—C304	1.33 (3)	C2B—H2B	0.9500
C303—C302	1.34 (3)	C2B—C1B	1.3900
C330—H330	0.9500	C1B—H1B	0.9500
C317—H317	0.9500	C1B—C6B	1.3900
C317—C316	1.35 (3)	C6B—H6B	0.9500
C317—C318	1.42 (3)	C6B—C5B	1.3900
C372—H372	0.9500	C5B—C13B	1.52 (2)
C372—C371	1.40 (3)	O2B—C8B	1.37 (2)
C345—C349	1.29 (3)	O2B—C14B	1.44 (2)
C345—C346	1.41 (3)	O3B—C12B	1.37 (2)
C353—H353	0.9500	O3B—C15B	1.43 (2)
C353—C354	1.44 (3)	C7B—C12B	1.3900
C362—C370	1.48 (3)	C7B—C8B	1.3900
C354—H354	0.9500	C12B—C11B	1.3900
C348—H348	0.9500	C11B—H11B	0.9500
C348—C349	1.40 (3)	C11B—C10B	1.3900
C371—H371	0.9500	C10B—H10B	0.9500
C371—C370	1.41 (3)	C10B—C9B	1.3900
C369—H369	0.9500	C9B—H9B	0.9500
C369—C368	1.41 (3)	C9B—C8B	1.3900
C369—C370	1.39 (3)	C13B—H13C	0.9900
C349—H349	0.9500	C13B—H13D	0.9900
C358—H358	0.9500	C13B—O1B	1.43 (2)
C358—C359	1.35 (3)	O1B—H1BA	0.8400
C368—H368	0.9500	C15B—H15D	0.9800
C323—H323	0.9500	C15B—H15E	0.9800
C364—H364	0.9500	C15B—H15F	0.9800
C364—C365	1.40 (3)	C14B—H14D	0.9800
C3A—H3A	0.9500	C14B—H14E	0.9800
C3A—C4A	1.385 (15)	C14B—H14F	0.9800
C3A—C2A	1.391 (14)
I401—Zn41—I402	121.2 (9)	C346—C347—H347	116.3
N301—Zn41—I401	110.6 (9)	N319—C359—C358	124 (2)
N301—Zn41—I402	107.7 (9)	N319—C359—H359	117.8
N301—Zn41—N311^i	103.1 (8)	C358—C359—H359	117.8
N311^i—Zn41—I401	109.4 (8)	C3A—C2A—H2A	120.3
N311^i—Zn41—I402	103.2 (9)	C1A—C2A—C3A	119.3 (10)
I305—Zn33—I306	128.4 (5)	C1A—C2A—H2A	120.3
N306—Zn33—I305	106.0 (8)	C12A—C7A—C4A	120.5 (19)
N306—Zn33—I306	108.5 (8)	C12A—C7A—C8A	116.7 (18)
N307—Zn33—I305	98.7 (7)	C8A—C7A—C4A	122.8 (18)
N307—Zn33—I306	111.3 (8)	C312—C313—H313	119.5
N307—Zn33—N306	100.4 (7)	C312—C313—C309	121 (2)
I309—Zn35—I310	125.6 (2)	C309—C313—H313	119.5
N318—Zn35—I309	108.4 (6)	C2A—C1A—H1A	119.5
N318—Zn35—I310	106.2 (7)	C6A—C1A—C2A	120.9 (10)
N318—Zn35—N319	102.5 (7)	C6A—C1A—H1A	119.5
N319—Zn35—I309	105.8 (6)	N303—C307—C309	116.3 (19)
N319—Zn35—I310	106.1 (6)	N304—C307—N303	125 (2)
I307—Zn34—I308	122.1 (4)	N304—C307—C309	119 (2)
N313—Zn34—I307	107.7 (6)	C339—C338—H338	121.2
N313—Zn34—I308	106.0 (6)	C337—C338—C339	118 (2)
N313—Zn34—N312	101.5 (8)	C337—C338—H338	121.2
N312—Zn34—I307	108.9 (6)	O3A—C12A—C7A	116.2 (18)
N312—Zn34—I308	108.6 (6)	O3A—C12A—C11A	121.8 (17)
I312—Zn36—I311	127.1 (5)	C7A—C12A—C11A	122.0 (16)
N324—Zn36—I312	108.3 (7)	C313—C309—C307	121 (2)
N324—Zn36—I311	107.9 (6)	C313—C309—C310	116 (2)
N324—Zn36—N317^ii	95.3 (8)	C310—C309—C307	123 (2)
N317^ii—Zn36—I312	112.3 (9)	N313—C341—C340	125 (2)
N317^ii—Zn36—I311	101.2 (8)	N313—C341—H341	117.4
I304—Zn32—I303	121.6 (4)	C340—C341—H341	117.4
N323^iii—Zn32—I304	110.7 (6)	O2A—C8A—C7A	113.7 (17)
N323^iii—Zn32—I303	107.6 (6)	O2A—C8A—C9A	123.9 (18)
N323^iii—Zn32—N305	101.8 (9)	C9A—C8A—C7A	122.4 (16)
N305—Zn32—I304	104.7 (7)	N306—C318—C317	121 (2)
N305—Zn32—I303	108.6 (8)	N306—C318—H318	119.3
C324—N309—C325	115.4 (14)	C317—C318—H318	119.3
C325—N310—C326	113.2 (15)	C4A—C5A—C13A	119.4 (15)
C372—N324—Zn36	117.2 (15)	C6A—C5A—C4A	118.8 (9)
C372—N324—C368	118.5 (17)	C6A—C5A—C13A	121.9 (15)
C372—N324—Zn46	120.8 (15)	C9A—C10A—H10A	120.0
C368—N324—Zn36	122.8 (13)	C11A—C10A—H10A	120.0
C368—N324—Zn46	120.8 (14)	C11A—C10A—C9A	119.9 (11)
C344—N316—C343	109.1 (19)	N305—C311—H311	120.4
C314—N306—Zn33	126.4 (17)	N305—C311—C310	119 (3)
C314—N306—Zn43	116.3 (17)	C310—C311—H311	120.4
C314—N306—Zn53	111 (4)	C334—C335—H335	118.8
C318—N306—Zn33	112.3 (15)	C336—C335—C334	122.4 (19)
C318—N306—C314	121.3 (19)	C336—C335—H335	118.8
C318—N306—Zn43	122.4 (15)	C309—C310—C311	122 (3)
C318—N306—Zn53	128 (4)	C309—C310—H310	119.0
C305—N301—Zn41	125.8 (18)	C311—C310—H310	119.0
C305—N301—Zn31	124.5 (18)	C8A—C9A—C10A	119.3 (13)
C301—N301—Zn41	118.4 (17)	C8A—C9A—H9A	120.4
C301—N301—C305	116 (2)	C10A—C9A—H9A	120.4
C301—N301—Zn31	119.6 (16)	C303—C302—H302	122.7
C337—N313—Zn34	123.2 (17)	C303—C302—C301	115 (3)
C337—N313—Zn44	121.7 (18)	C301—C302—H302	122.7
C341—N313—Zn34	120.8 (17)	O3A—C15A—H15A	109.5
C341—N313—C337	116 (2)	O3A—C15A—H15B	109.5
C341—N313—Zn44	122.3 (17)	O3A—C15A—H15C	109.5
C306—N302—C308	113.3 (18)	H15A—C15A—H15B	109.5
C361—N322—C362	111.9 (16)	H15A—C15A—H15C	109.5
C344—N314—C342	111.8 (18)	H15B—C15A—H15C	109.5
C326—N308—C324	113.0 (14)	O1A—C13A—C5A	112.3 (16)
C360—N321—C361	112.4 (16)	O1A—C13A—H13A	109.1
C332—N312—Zn34	122.2 (14)	O1A—C13A—H13B	109.1
C332—N312—C336	116.3 (17)	C5A—C13A—H13A	109.1
C332—N312—Zn44	124.1 (15)	C5A—C13A—H13B	109.1
C336—N312—Zn34	121.4 (13)	H13A—C13A—H13B	107.9
C336—N312—Zn44	119.5 (13)	C1A—C6A—C5A	120.2 (10)
C319—N307—Zn33	117.0 (12)	C1A—C6A—H6A	119.9
C319—N307—C323	118.7 (15)	C5A—C6A—H6A	119.9
C319—N307—Zn43	122.0 (12)	C12A—C11A—H11A	120.2
C319—N307—Zn53	121 (3)	C10A—C11A—C12A	119.6 (14)
C323—N307—Zn33	124.3 (12)	C10A—C11A—H11A	120.2
C323—N307—Zn43	118.9 (12)	C345—C346—H346	121.5
C323—N307—Zn53	118 (3)	C347—C346—C345	117 (3)
N302—C308—C316	115.9 (18)	C347—C346—H346	121.5
N304—C308—N302	125.1 (16)	N301—C301—C302	127 (3)
N304—C308—C316	119.0 (17)	N301—C301—H301	116.5
C354—N318—Zn35	123 (2)	C302—C301—H301	116.5
C354—N318—C350	120 (2)	O2A—C14A—H14A	109.5
C354—N318—Zn45	115 (2)	O2A—C14A—H14B	109.5
C350—N318—Zn35	117.1 (14)	O2A—C14A—H14C	109.5
C350—N318—Zn45	125.3 (15)	H14A—C14A—H14B	109.5
N310—C326—C334	116.3 (15)	H14A—C14A—H14C	109.5
N308—C326—N310	126.4 (16)	H14B—C14A—H14C	109.5
N308—C326—C334	117.3 (15)	N318—Zn45—N319	102.9 (10)
C314—C315—H315	118.7	N318—Zn45—I409	108.7 (10)
C314—C315—C316	123 (2)	N318—Zn45—I410	109.7 (12)
C316—C315—H315	118.7	N319—Zn45—I409	100.6 (9)
C365—N323—Zn32^iv	126.4 (15)	N319—Zn45—I410	109.6 (12)
C365—N323—C366	116.3 (19)	I410—Zn45—I409	123.3 (9)
C365—N323—Zn42^iv	115.3 (16)	N306—Zn43—I406	106.0 (8)
C366—N323—Zn32^iv	117.4 (15)	N306—Zn43—I405	113.3 (8)
C366—N323—Zn42^iv	128.3 (17)	N307—Zn43—N306	99.0 (7)
N309—C324—N308	126.3 (15)	N307—Zn43—I406	104.8 (7)
N309—C324—C321	117.6 (16)	N307—Zn43—I405	108.8 (8)
N308—C324—C321	116.1 (15)	I405—Zn43—I406	122.2 (5)
C342—N315—C343	112.3 (19)	N301—Zn31—I301	105.2 (6)
C348—N317—Zn36^v	118 (2)	N301—Zn31—I302	105.3 (6)
C348—N317—Zn46^v	131 (2)	N311^i—Zn31—N301	104.0 (7)
C347—N317—Zn36^v	125.3 (19)	N311^i—Zn31—I301	108.8 (6)
C347—N317—C348	116 (2)	N311^i—Zn31—I302	104.0 (7)
C347—N317—Zn46^v	112.3 (19)	I301—Zn31—I302	127.4 (5)
N316—C344—C352	110.5 (19)	N324—Zn46—I411	109.8 (9)
N314—C344—N316	130 (2)	N324—Zn46—I412	100.8 (8)
N314—C344—C352	119.2 (16)	N317^ii—Zn46—N324	99.8 (10)
C329—N311—Zn41^vi	122.7 (15)	N317^ii—Zn46—I411	110.7 (10)
C329—N311—C330	115.3 (17)	N317^ii—Zn46—I412	101.0 (10)
C330—N311—Zn41^vi	122.0 (14)	I412—Zn46—I411	130.4 (8)
N312—C332—H332	118.0	N323^iii—Zn42—N305	103.2 (10)
N312—C332—C333	124.1 (19)	N323^iii—Zn42—I404	115.7 (9)
C333—C332—H332	118.0	N323^iii—Zn42—I403	99.5 (9)
C360—N320—C362	114.8 (16)	N305—Zn42—I404	111.8 (10)
N316—C343—C345	113 (2)	N305—Zn42—I403	101.2 (10)
N315—C343—N316	126.1 (17)	I404—Zn42—I403	122.8 (7)
N315—C343—C345	120.5 (19)	N306—Zn53—I506	115 (6)
C306—N303—C307	115.0 (18)	N306—Zn53—I505	113 (5)
C307—N304—C308	116.4 (19)	N307—Zn53—N306	90 (4)
N302—C306—C303	116.7 (19)	N307—Zn53—I506	101 (4)
N303—C306—N302	125.4 (19)	N307—Zn53—I505	115 (5)
N303—C306—C303	117.6 (18)	I506—Zn53—I505	118 (5)
C8A—O2A—C14A	119 (2)	N313—Zn44—N312	101.5 (8)
C352—C351—H351	121.3	N313—Zn44—I407	108.9 (8)
C352—C351—C350	117 (2)	N313—Zn44—I408	109.4 (7)
C350—C351—H351	121.3	N312—Zn44—I407	105.4 (7)
C320—C321—C324	120.0 (16)	N312—Zn44—I408	109.9 (7)
C320—C321—C322	119.0 (17)	I407—Zn44—I408	120.1 (6)
C322—C321—C324	120.9 (16)	H80A—C809—H80B	108.1
N309—C325—N310	125.5 (16)	C808—C809—H80A	109.5
N309—C325—C327	117.4 (15)	C808—C809—H80B	109.5
N310—C325—C327	117.0 (15)	C810—C809—H80A	109.5
C331—C327—C325	121.9 (16)	C810—C809—H80B	109.5
C328—C327—C325	121.3 (16)	C810—C809—C808	111 (2)
C328—C327—C331	116.7 (16)	C809—C808—H80C	109.5
C340—C339—C342	121 (2)	C809—C808—H80D	109.5
C340—C339—C338	120 (2)	H80C—C808—H80D	108.1
C338—C339—C342	118.7 (18)	C807—C808—C809	110.9 (18)
C321—C320—H320	120.3	C807—C808—H80C	109.5
C321—C320—C319	119.4 (17)	C807—C808—H80D	109.5
C319—C320—H320	120.3	C808—C807—H80E	109.3
C12A—O3A—C15A	118.7 (17)	C808—C807—H80F	109.3
N311—C329—H329	116.9	H80E—C807—H80F	108.0
N311—C329—C328	126 (2)	C812—C807—C808	111.5 (18)
C328—C329—H329	116.9	C812—C807—H80E	109.3
N307—C319—C320	122.3 (18)	C812—C807—H80F	109.3
N307—C319—H319	118.9	C807—C812—H81A	109.3
C320—C319—H319	118.9	C807—C812—H81B	109.3
C339—C340—H340	121.1	H81A—C812—H81B	107.9
C339—C340—C341	118 (2)	C811—C812—C807	111.7 (18)
C341—C340—H340	121.1	C811—C812—H81A	109.3
C333—C334—C326	123.3 (16)	C811—C812—H81B	109.3
C335—C334—C326	122.6 (18)	C812—C811—H81C	109.4
C335—C334—C333	114.1 (17)	C812—C811—H81D	109.4
C364—C363—C361	121.7 (18)	C812—C811—C810	111.0 (18)
C367—C363—C361	122.2 (18)	H81C—C811—H81D	108.0
C367—C363—C364	116.2 (18)	C810—C811—H81C	109.4
C358—C357—C360	122.0 (18)	C810—C811—H81D	109.4
C356—C357—C360	120 (2)	C809—C810—H81E	109.4
C356—C357—C358	117 (2)	C809—C810—H81F	109.4
C355—N319—Zn35	120.5 (13)	C811—C810—C809	111.3 (18)
C355—N319—Zn45	113.8 (15)	C811—C810—H81E	109.4
C359—N319—Zn35	122.0 (15)	C811—C810—H81F	109.4
C359—N319—C355	117.5 (18)	H81E—C810—H81F	108.0
C359—N319—Zn45	128.2 (16)	H80G—C806—H80H	108.1
N306—C314—H314	120.9	C805—C806—H80G	109.6
C315—C314—N306	118 (2)	C805—C806—H80H	109.6
C315—C314—H314	120.9	C805—C806—C801	110 (2)
C327—C331—H331	120.4	C801—C806—H80G	109.6
C330—C331—C327	119.3 (19)	C801—C806—H80H	109.6
C330—C331—H331	120.4	C806—C805—H80I	109.4
C312—N305—Zn32	124.6 (18)	C806—C805—H80J	109.4
C312—N305—Zn42	115.8 (18)	H80I—C805—H80J	108.0
C311—N305—Zn32	114.5 (18)	C804—C805—C806	111 (2)
C311—N305—C312	121 (2)	C804—C805—H80I	109.4
C311—N305—Zn42	122.6 (19)	C804—C805—H80J	109.4
C321—C322—H322	120.2	C805—C804—H80K	109.4
C321—C322—C323	119.6 (17)	C805—C804—H80L	109.4
C323—C322—H322	120.2	C805—C804—C803	111 (2)
N312—C336—H336	118.8	H80K—C804—H80L	108.0
C335—C336—N312	122.3 (18)	C803—C804—H80K	109.4
C335—C336—H336	118.8	C803—C804—H80L	109.4
N314—C342—C339	113.9 (18)	C804—C803—H80M	109.6
N315—C342—N314	130 (2)	C804—C803—H80N	109.6
N315—C342—C339	115.7 (19)	C804—C803—C802	110 (2)
C351—C352—C344	116.4 (19)	H80M—C803—H80N	108.1
C351—C352—C353	121.6 (19)	C802—C803—H80M	109.6
C353—C352—C344	122.0 (16)	C802—C803—H80N	109.6
C332—C333—C334	120.7 (18)	C803—C802—H80O	109.7
C332—C333—H333	119.7	C803—C802—H80P	109.7
C334—C333—H333	119.7	C803—C802—C801	110 (2)
C304—C303—C306	121.1 (19)	H80O—C802—H80P	108.2
C304—C303—C302	117 (2)	C801—C802—H80O	109.7
C302—C303—C306	122 (2)	C801—C802—H80P	109.7
N311—C330—C331	124.7 (19)	C806—C801—C802	110 (2)
N311—C330—H330	117.7	C806—C801—H80Q	109.6
C331—C330—H330	117.7	C806—C801—H80R	109.6
C316—C317—H317	120.8	C802—C801—H80Q	109.6
C316—C317—C318	118 (2)	C802—C801—H80R	109.6
C318—C317—H317	120.8	H80Q—C801—H80R	108.2
N324—C372—H372	117.0	H81G—C816—H81H	108.0
N324—C372—C371	126 (2)	C815—C816—H81G	109.3
C371—C372—H372	117.0	C815—C816—H81H	109.3
C349—C345—C343	126 (2)	C817—C816—H81G	109.3
C349—C345—C346	115 (2)	C817—C816—H81H	109.3
C346—C345—C343	118 (2)	C817—C816—C815	112 (3)
C352—C353—H353	122.5	C816—C815—H81I	109.3
C352—C353—C354	115 (2)	C816—C815—H81J	109.3
C354—C353—H353	122.5	H81I—C815—H81J	107.9
N322—C362—C370	113.7 (17)	C814—C815—C816	112 (2)
N320—C362—N322	124.9 (16)	C814—C815—H81I	109.3
N320—C362—C370	121.4 (17)	C814—C815—H81J	109.3
N318—C354—C353	124 (3)	C815—C814—H81K	109.1
N318—C354—H354	117.8	C815—C814—H81L	109.1
C353—C354—H354	117.8	H81K—C814—H81L	107.8
N317—C348—H348	119.3	C813—C814—C815	113 (2)
N317—C348—C349	121 (3)	C813—C814—H81K	109.1
C349—C348—H348	119.3	C813—C814—H81L	109.1
C372—C371—H371	122.5	C814—C813—H81M	108.9
C372—C371—C370	114.9 (19)	C814—C813—H81N	108.9
C370—C371—H371	122.5	C814—C813—C818	113 (2)
N321—C360—C357	116.8 (17)	H81M—C813—H81N	107.7
N320—C360—N321	128.8 (18)	C818—C813—H81M	108.9
N320—C360—C357	114.3 (17)	C818—C813—H81N	108.9
C368—C369—H369	121.7	C813—C818—H81O	108.9
C370—C369—H369	121.7	C813—C818—H81P	108.9
C370—C369—C368	116.5 (19)	C813—C818—C817	113 (2)
C345—C349—C348	122 (3)	H81O—C818—H81P	107.7
C345—C349—H349	118.8	C817—C818—H81O	108.9
C348—C349—H349	118.8	C817—C818—H81P	108.9
C357—C358—H358	120.7	C816—C817—H81Q	109.1
C359—C358—C357	119 (2)	C816—C817—H81R	109.1
C359—C358—H358	120.7	C818—C817—C816	112 (2)
N324—C368—C369	123.4 (18)	C818—C817—H81Q	109.1
N324—C368—H368	118.3	C818—C817—H81R	109.1
C369—C368—H368	118.3	H81Q—C817—H81R	107.9
C371—C370—C362	120.2 (18)	C3B—C4B—C5B	120.0
C369—C370—C362	119.6 (18)	C3B—C4B—C7B	118.9 (16)
C369—C370—C371	120.2 (18)	C5B—C4B—C7B	121.0 (16)
N322—C361—C363	112.6 (17)	C4B—C3B—H3B	120.0
N321—C361—N322	126.7 (17)	C2B—C3B—C4B	120.0
N321—C361—C363	120.7 (17)	C2B—C3B—H3B	120.0
C315—C316—C308	121.9 (17)	C3B—C2B—H2B	120.0
C317—C316—C308	120 (2)	C3B—C2B—C1B	120.0
C317—C316—C315	117.9 (18)	C1B—C2B—H2B	120.0
N307—C323—C322	120.9 (16)	C2B—C1B—H1B	120.0
N307—C323—H323	119.5	C6B—C1B—C2B	120.0
C322—C323—H323	119.5	C6B—C1B—H1B	120.0
C363—C364—H364	120.5	C1B—C6B—H6B	120.0
C365—C364—C363	119 (2)	C1B—C6B—C5B	120.0
C365—C364—H364	120.5	C5B—C6B—H6B	120.0
C4A—C3A—H3A	120.0	C4B—C5B—C13B	121 (5)
C4A—C3A—C2A	120.0 (10)	C6B—C5B—C4B	120.0
C2A—C3A—H3A	120.0	C6B—C5B—C13B	119 (5)
C13A—O1A—H1AA	109.5	C8B—O2B—C14B	118 (3)
N323—C365—C364	124 (2)	C12B—O3B—C15B	116 (7)
N323—C365—H365	118.1	C12B—C7B—C4B	118.5 (16)
C364—C365—H365	118.1	C12B—C7B—C8B	120.0
N318—C350—C351	122 (2)	C8B—C7B—C4B	120.3 (16)
N318—C350—H350	119.1	O3B—C12B—C7B	119 (4)
C351—C350—H350	119.1	O3B—C12B—C11B	121 (4)
N313—C337—H337	118.4	C11B—C12B—C7B	120.0
C338—C337—N313	123 (2)	C12B—C11B—H11B	120.0
C338—C337—H337	118.4	C12B—C11B—C10B	120.0
C363—C367—H367	120.4	C10B—C11B—H11B	120.0
C363—C367—C366	119 (2)	C11B—C10B—H10B	120.0
C366—C367—H367	120.4	C11B—C10B—C9B	120.0
C327—C328—C329	117.7 (18)	C9B—C10B—H10B	120.0
C327—C328—H328	121.2	C10B—C9B—H9B	120.0
C329—C328—H328	121.2	C8B—C9B—C10B	120.0
N305—C312—H312	119.7	C8B—C9B—H9B	120.0
N305—C312—C313	121 (2)	O2B—C8B—C7B	118 (3)
C313—C312—H312	119.7	O2B—C8B—C9B	122 (3)
N301—C305—H305	118.2	C9B—C8B—C7B	120.0
N301—C305—C304	124 (3)	C5B—C13B—H13C	110.0
C304—C305—H305	118.2	C5B—C13B—H13D	110.0
C357—C356—H356	119.7	H13C—C13B—H13D	108.4
C355—C356—C357	121 (2)	O1B—C13B—C5B	109 (3)
C355—C356—H356	119.7	O1B—C13B—H13C	110.0
C303—C304—C305	121 (2)	O1B—C13B—H13D	110.0
C303—C304—H304	119.3	C13B—O1B—H1BA	109.5
C305—C304—H304	119.3	O3B—C15B—H15D	109.5
N323—C366—C367	125 (2)	O3B—C15B—H15E	109.5
N323—C366—H366	117.3	O3B—C15B—H15F	109.5
C367—C366—H366	117.3	H15D—C15B—H15E	109.5
N319—C355—H355	119.2	H15D—C15B—H15F	109.5
C356—C355—N319	121.6 (19)	H15E—C15B—H15F	109.5
C356—C355—H355	119.2	O2B—C14B—H14D	109.5
C3A—C4A—C7A	117.4 (16)	O2B—C14B—H14E	109.5
C3A—C4A—C5A	120.7 (9)	O2B—C14B—H14F	109.5
C5A—C4A—C7A	121.9 (16)	H14D—C14B—H14E	109.5
N317—C347—H347	116.3	H14D—C14B—H14F	109.5
N317—C347—C346	127 (3)	H14E—C14B—H14F	109.5
Zn41—N301—C305—C304	180 (2)	C368—C369—C370—C362	177 (2)
Zn41—N301—C301—C302	176 (3)	C368—C369—C370—C371	−1 (4)
Zn41^vi—N311—C329—C328	177.4 (18)	C370—C369—C368—N324	7 (4)
Zn41^vi—N311—C330—C331	180 (2)	C361—N322—C362—N320	5 (3)
Zn33—N306—C314—C315	172.4 (14)	C361—N322—C362—C370	−174 (2)
Zn33—N306—C318—C317	−172 (2)	C361—N321—C360—N320	4 (4)
Zn33—N307—C319—C320	179 (2)	C361—N321—C360—C357	−180 (2)
Zn33—N307—C323—C322	−178.2 (19)	C361—C363—C364—C365	−180 (2)
Zn35—N318—C354—C353	−171 (2)	C361—C363—C367—C366	−178 (3)
Zn35—N318—C350—C351	173.3 (15)	C316—C308—N304—C307	176.1 (18)
Zn35—N319—C355—C356	−171 (2)	C316—C315—C314—N306	2 (3)
Zn35—N319—C359—C358	174 (2)	C316—C317—C318—N306	−3 (4)
Zn34—N313—C337—C338	177 (2)	C323—N307—C319—C320	2 (4)
Zn34—N313—C341—C340	−177 (3)	C364—C363—C361—N322	−172 (2)
Zn34—N312—C332—C333	178.1 (19)	C364—C363—C361—N321	6 (4)
Zn34—N312—C336—C335	−179 (2)	C364—C363—C367—C366	1 (4)
Zn36—N324—C372—C371	164 (3)	C3A—C4A—C7A—C12A	74 (4)
Zn36—N324—C368—C369	−170 (2)	C3A—C4A—C7A—C8A	−106 (3)
Zn36^v—N317—C348—C349	−172.9 (17)	C3A—C4A—C5A—C13A	178 (3)
Zn36^v—N317—C347—C346	170 (3)	C3A—C4A—C5A—C6A	−1 (3)
Zn32^iv—N323—C365—C364	−176.3 (19)	C3A—C2A—C1A—C6A	−1 (4)
Zn32^iv—N323—C366—C367	179 (2)	C365—N323—C366—C367	−1 (4)
Zn32—N305—C312—C313	−173 (2)	C350—N318—C354—C353	3 (4)
Zn32—N305—C311—C310	172 (3)	C350—C351—C352—C344	−176.3 (16)
N309—C324—C321—C320	−3 (3)	C350—C351—C352—C353	3 (3)
N309—C324—C321—C322	−179 (2)	C337—N313—C341—C340	3 (5)
N309—C325—C327—C331	−172 (2)	C367—C363—C361—N322	8 (4)
N309—C325—C327—C328	12 (3)	C367—C363—C361—N321	−174 (2)
N310—C326—C334—C333	−167 (2)	C367—C363—C364—C365	1 (4)
N310—C326—C334—C335	12 (3)	C328—C327—C331—C330	−3 (4)
N310—C325—C327—C331	5 (3)	C312—N305—C311—C310	−9 (5)
N310—C325—C327—C328	−171 (2)	C312—C313—C309—C307	−177 (3)
N324—C372—C371—C370	7 (5)	C312—C313—C309—C310	−1 (5)
N316—C344—C352—C351	−175.8 (15)	C305—N301—C301—C302	−9 (5)
N316—C344—C352—C353	5 (2)	C356—C357—C360—N321	11 (4)
N316—C343—C345—C349	−3 (3)	C356—C357—C360—N320	−172 (3)
N316—C343—C345—C346	177 (2)	C356—C357—C358—C359	−6 (5)
N301—C305—C304—C303	−3 (4)	C304—C303—C302—C301	−5 (4)
N313—C337—C338—C339	1 (4)	C366—N323—C365—C364	4 (4)
N302—C308—N304—C307	−1 (3)	C355—N319—C359—C358	−4 (4)
N302—C308—C316—C315	8 (3)	C4A—C3A—C2A—C1A	3 (4)
N302—C308—C316—C317	−166.6 (19)	C4A—C7A—C12A—O3A	2 (4)
N302—C306—C303—C304	27 (3)	C4A—C7A—C12A—C11A	180 (3)
N302—C306—C303—C302	−156 (3)	C4A—C7A—C8A—O2A	−3 (4)
N322—C362—C370—C371	0 (4)	C4A—C7A—C8A—C9A	177 (3)
N322—C362—C370—C369	−179 (2)	C4A—C5A—C13A—O1A	157 (2)
N314—C344—C352—C351	8 (2)	C4A—C5A—C6A—C1A	3 (3)
N314—C344—C352—C353	−171.0 (19)	C347—N317—C348—C349	3 (4)
N308—C326—C334—C333	15 (3)	C359—N319—C355—C356	7 (4)
N308—C326—C334—C335	−167 (2)	C2A—C3A—C4A—C7A	175 (2)
N308—C324—C321—C320	176 (2)	C2A—C3A—C4A—C5A	−2 (4)
N308—C324—C321—C322	0 (3)	C2A—C1A—C6A—C5A	−2 (4)
N312—C332—C333—C334	1 (4)	C7A—C4A—C5A—C13A	1 (3)
N312—C336—C335—C334	1 (5)	C7A—C4A—C5A—C6A	−178 (2)
C308—N302—C306—N303	−1 (3)	C7A—C12A—C11A—C10A	2 (5)
C308—N302—C306—C303	173.2 (17)	C7A—C8A—C9A—C10A	3 (5)
C308—N304—C307—N303	−3 (3)	C313—C309—C310—C311	0 (5)
C308—N304—C307—C309	179.4 (19)	C307—N303—C306—N302	−2 (3)
C326—N310—C325—N309	−4 (3)	C307—N303—C306—C303	−176.2 (19)
C326—N310—C325—C327	179.2 (19)	C307—C309—C310—C311	176 (3)
C326—N308—C324—N309	2 (3)	C338—C339—C340—C341	−1 (4)
C326—N308—C324—C321	−176.3 (17)	C338—C339—C342—N314	−160 (2)
C326—C334—C333—C332	−179 (2)	C338—C339—C342—N315	20 (3)
C326—C334—C335—C336	178 (2)	C12A—C7A—C8A—O2A	178 (3)
C324—N309—C325—N310	1 (3)	C12A—C7A—C8A—C9A	−2 (4)
C324—N309—C325—C327	177.6 (18)	C341—N313—C337—C338	−3 (4)
C324—N308—C326—N310	−6 (3)	C8A—C7A—C12A—O3A	−179 (3)
C324—N308—C326—C334	171.9 (18)	C8A—C7A—C12A—C11A	−1 (4)
C324—C321—C320—C319	−177 (2)	C318—N306—C314—C315	−5 (3)
C324—C321—C322—C323	177 (2)	C318—C317—C316—C308	176 (2)
N315—C343—C345—C349	175 (2)	C318—C317—C316—C315	1 (3)
N315—C343—C345—C346	−5 (3)	C5A—C4A—C7A—C12A	−110 (3)
N317—C348—C349—C345	2 (4)	C5A—C4A—C7A—C8A	71 (3)
N317—C347—C346—C345	2 (6)	C311—N305—C312—C313	8 (5)
C344—N316—C343—N315	−1 (2)	C335—C334—C333—C332	2 (3)
C344—N316—C343—C345	177.2 (14)	C9A—C10A—C11A—C12A	0 (5)
C344—N314—C342—N315	−2 (3)	C302—C303—C304—C305	2 (4)
C344—N314—C342—C339	177.4 (14)	C15A—O3A—C12A—C7A	174 (3)
C344—C352—C353—C354	177.6 (19)	C15A—O3A—C12A—C11A	−4 (4)
N311—C329—C328—C327	3 (4)	C13A—C5A—C6A—C1A	−176 (3)
C332—N312—C336—C335	2 (4)	C6A—C5A—C13A—O1A	−24 (3)
N320—C362—C370—C371	−178 (3)	C11A—C10A—C9A—C8A	−2 (5)
N320—C362—C370—C369	3 (4)	C346—C345—C349—C348	−4 (4)
C343—N316—C344—N314	−3 (2)	C301—N301—C305—C304	6 (4)
C343—N316—C344—C352	−178.1 (12)	C14A—O2A—C8A—C7A	177 (3)
C343—N315—C342—N314	−1 (3)	C14A—O2A—C8A—C9A	−4 (5)
C343—N315—C342—C339	179.7 (14)	Zn45—N318—C354—C353	−171 (2)
C343—C345—C349—C348	176.2 (19)	Zn45—N318—C350—C351	172.2 (16)
C343—C345—C346—C347	−178 (3)	Zn45—N319—C355—C356	−166 (3)
N303—C306—C303—C304	−159 (2)	Zn45—N319—C359—C358	167 (2)
N303—C306—C303—C302	18 (3)	Zn43—N306—C314—C315	171.8 (14)
N303—C307—C309—C313	164 (3)	Zn43—N306—C318—C317	−171.0 (19)
N303—C307—C309—C310	−12 (4)	Zn43—N307—C319—C320	−171.2 (19)
N304—C308—C316—C315	−168.7 (18)	Zn43—N307—C323—C322	172 (2)
N304—C308—C316—C317	16 (3)	Zn31—N301—C305—C304	178 (2)
N304—C307—C309—C313	−18 (4)	Zn31—N301—C301—C302	178 (3)
N304—C307—C309—C310	166 (3)	Zn46—N324—C372—C371	178 (3)
C306—N302—C308—N304	2 (3)	Zn46—N324—C368—C369	174 (2)
C306—N302—C308—C316	−174.5 (16)	Zn46^v—N317—C348—C349	−172.1 (18)
C306—N303—C307—N304	4 (3)	Zn46^v—N317—C347—C346	171 (3)
C306—N303—C307—C309	−178.0 (19)	Zn42^iv—N323—C365—C364	−178 (2)
C306—C303—C304—C305	179 (2)	Zn42^iv—N323—C366—C367	−179 (2)
C306—C303—C302—C301	178 (3)	Zn42—N305—C312—C313	179 (3)
O2A—C8A—C9A—C10A	−176 (3)	Zn42—N305—C311—C310	−180 (3)
C351—C352—C353—C354	−2 (3)	Zn53—N306—C314—C315	176 (3)
C321—C320—C319—N307	−1 (4)	Zn53—N306—C318—C317	−175 (3)
C321—C322—C323—N307	0 (4)	Zn53—N307—C319—C320	−164 (4)
C325—N309—C324—N308	0 (3)	Zn53—N307—C323—C322	164 (4)
C325—N309—C324—C321	178.7 (17)	Zn44—N313—C337—C338	179 (2)
C325—N310—C326—N308	7 (3)	Zn44—N313—C341—C340	−179 (2)
C325—N310—C326—C334	−171.1 (18)	Zn44—N312—C332—C333	178.6 (19)
C325—C327—C331—C330	−179 (2)	Zn44—N312—C336—C335	−180 (2)
C325—C327—C328—C329	177 (2)	C809—C808—C807—C812	55 (4)
C327—C331—C330—N311	2 (4)	C808—C809—C810—C811	57 (4)
C339—C340—C341—N313	−1 (5)	C808—C807—C812—C811	−55 (4)
C320—C321—C322—C323	1 (4)	C807—C812—C811—C810	55 (4)
O3A—C12A—C11A—C10A	180 (3)	C812—C811—C810—C809	−56 (4)
C329—N311—C330—C331	0 (4)	C810—C809—C808—C807	−56 (4)
C319—N307—C323—C322	−2 (4)	C806—C805—C804—C803	56 (5)
C340—C339—C342—N314	20 (3)	C805—C806—C801—C802	59 (5)
C340—C339—C342—N315	−161 (2)	C805—C804—C803—C802	−57 (5)
C340—C339—C338—C337	1 (4)	C804—C803—C802—C801	58 (4)
C363—C364—C365—N323	−3 (4)	C803—C802—C801—C806	−60 (4)
C363—C367—C366—N323	−1 (5)	C801—C806—C805—C804	−56 (5)
C357—C358—C359—N319	4 (5)	C816—C815—C814—C813	53 (6)
C357—C356—C355—N319	−9 (5)	C815—C816—C817—C818	54 (6)
C314—N306—C318—C317	6 (4)	C815—C814—C813—C818	−49 (6)
C314—C315—C316—C308	−175.2 (18)	C814—C813—C818—C817	48 (6)
C314—C315—C316—C317	0 (3)	C813—C818—C817—C816	−50 (6)
C331—C327—C328—C329	0 (3)	C817—C816—C815—C814	−55 (6)
N305—C312—C313—C309	−3 (5)	C4B—C3B—C2B—C1B	0.0
N305—C311—C310—C309	5 (6)	C4B—C5B—C13B—O1B	70 (9)
C322—C321—C320—C319	−1 (4)	C4B—C7B—C12B—O3B	10 (7)
C336—N312—C332—C333	−3 (4)	C4B—C7B—C12B—C11B	−168 (4)
C342—N314—C344—N316	4 (2)	C4B—C7B—C8B—O2B	−6 (7)
C342—N314—C344—C352	178.9 (14)	C4B—C7B—C8B—C9B	168 (4)
C342—N315—C343—N316	2 (2)	C3B—C4B—C5B—C6B	0.0
C342—N315—C343—C345	−175.4 (15)	C3B—C4B—C5B—C13B	−179 (2)
C342—C339—C340—C341	179 (2)	C3B—C4B—C7B—C12B	81 (4)
C342—C339—C338—C337	−180 (2)	C3B—C4B—C7B—C8B	−86 (4)
C352—C351—C350—N318	−1 (3)	C3B—C2B—C1B—C6B	0.0
C352—C353—C354—N318	−2 (4)	C2B—C1B—C6B—C5B	0.0
C333—C334—C335—C336	−3 (4)	C1B—C6B—C5B—C4B	0.0
C303—C302—C301—N301	9 (6)	C1B—C6B—C5B—C13B	179 (2)
C330—N311—C329—C328	−3 (4)	C6B—C5B—C13B—O1B	−108 (9)
C372—N324—C368—C369	−5 (4)	C5B—C4B—C3B—C2B	0.0
C372—C371—C370—C362	176 (3)	C5B—C4B—C7B—C12B	−102 (4)
C372—C371—C370—C369	−5 (4)	C5B—C4B—C7B—C8B	90 (5)
C362—N322—C361—N321	−7 (4)	O3B—C12B—C11B—C10B	−178 (8)
C362—N322—C361—C363	171 (2)	C7B—C4B—C3B—C2B	176 (4)
C362—N320—C360—N321	−5 (4)	C7B—C4B—C5B—C6B	−176 (4)
C362—N320—C360—C357	178 (2)	C7B—C4B—C5B—C13B	5 (4)
C354—N318—C350—C351	−2 (3)	C7B—C12B—C11B—C10B	0.0
C348—N317—C347—C346	−5 (5)	C12B—C7B—C8B—O2B	−173 (7)
C360—N321—C361—N322	3 (4)	C12B—C7B—C8B—C9B	0.0
C360—N321—C361—C363	−174 (2)	C12B—C11B—C10B—C9B	0.0
C360—N320—C362—N322	1 (4)	C11B—C10B—C9B—C8B	0.0
C360—N320—C362—C370	179 (2)	C10B—C9B—C8B—O2B	173 (7)
C360—C357—C358—C359	−174 (3)	C10B—C9B—C8B—C7B	0.0
C360—C357—C356—C355	176 (3)	C8B—C7B—C12B—O3B	178 (8)
C349—C345—C346—C347	2 (4)	C8B—C7B—C12B—C11B	0.0
C358—C357—C360—N321	179 (3)	C15B—O3B—C12B—C7B	176 (8)
C358—C357—C360—N320	−4 (4)	C15B—O3B—C12B—C11B	−6 (11)
C358—C357—C356—C355	8 (5)	C14B—O2B—C8B—C7B	174 (8)
C368—N324—C372—C371	−3 (5)	C14B—O2B—C8B—C9B	1 (10)

Symmetry codes: (i) x−1/2, −y+1, z−1/2; (ii) x−1/2, −y, z−1/2; (iii) x−1/2, −y, z+1/2; (iv) x+1/2, −y, z−1/2; (v) x+1/2, −y, z+1/2; (vi) x+1/2, −y+1, z+1/2.

catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc (4_mbp_4_10_96a)

Crystal data

C36H24I6N12Zn3	F(000) = 5856
Mr = 1582.18	Dx = 1.291 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 35.2833 (5) Å	Cell parameters from 14130 reflections
b = 14.9084 (2) Å	θ = 2.9–68.9°
c = 31.7352 (4) Å	µ = 19.08 mm^−1
β = 102.721 (1)°	T = 100 K
V = 16283.5 (4) Å^3	Block, colourless
Z = 8	0.37 × 0.1 × 0.07 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	14786 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	13046 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.026
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −42→41
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −14→17
Tmin = 0.063, Tmax = 0.379	l = −38→38
71698 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.032	H-atom parameters constrained
wR(F^2) = 0.095	w = 1/[σ^2(Fo^2) + (0.0472P)^2 + 20.8502P] where P = (Fo^2 + 2Fc^2)/3
S = 1.10	(Δ/σ)max = 0.002
14786 reflections	Δρmax = 0.75 e Å^−3
606 parameters	Δρmin = −0.44 e Å^−3
27 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. No guests or solvent were identified from the electron density map, SQUEEZE has been applied to address the residual electron density within the pore. SQUEEZE analysis indicated one void with a volume of 1018 Ang**3 and an electron count of 299. This is equivalent to 6.23 cyclohexane molecules or 2.88 4-methylbenzophenone molecules.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I404	0.27009 (7)	0.73921 (12)	0.70237 (5)	0.0616 (4)	0.496 (8)
I302	0.38529 (3)	−0.23801 (7)	0.93598 (3)	0.06961 (18)	0.6942
I301	0.47879 (4)	−0.13628 (10)	0.87131 (4)	0.0702 (2)	0.6942
I306	0.64207 (4)	0.40652 (14)	0.49442 (5)	0.0760 (3)	0.695 (8)
I403	0.37670 (6)	0.66761 (13)	0.79924 (5)	0.0680 (4)	0.496 (8)
I305	0.60340 (4)	0.26410 (9)	0.60188 (4)	0.0850 (3)	0.695 (8)
Zn31	0.42011 (6)	−0.1161 (2)	0.90472 (9)	0.0494 (3)	0.6942
Zn33	0.62249 (12)	0.4043 (2)	0.56672 (12)	0.0532 (5)	0.695 (8)
Zn42	0.33062 (14)	0.6455 (3)	0.72616 (13)	0.0519 (7)	0.496 (8)
N302	0.31648 (7)	0.18227 (16)	0.75233 (8)	0.0457 (6)
N303	0.27760 (7)	0.05422 (16)	0.72973 (8)	0.0452 (6)
N309	0.42290 (8)	0.77699 (18)	0.56195 (9)	0.0505 (6)
N304	0.26241 (7)	0.19317 (16)	0.69325 (8)	0.0473 (6)
N310	0.47449 (8)	0.72878 (17)	0.53063 (8)	0.0491 (6)
N306	0.31399 (9)	0.50958 (18)	0.72157 (9)	0.0571 (7)
N308	0.46040 (8)	0.64986 (18)	0.59000 (9)	0.0531 (6)
N305	0.16606 (8)	−0.02870 (18)	0.60989 (9)	0.0565 (7)
N312	0.57778 (8)	0.49442 (19)	0.56144 (9)	0.0569 (7)
N301	0.37848 (9)	−0.04888 (17)	0.85898 (9)	0.0589 (7)
N311	0.43096 (9)	1.01325 (19)	0.45093 (9)	0.0591 (7)
N307	0.35906 (10)	0.66184 (19)	0.67810 (10)	0.0639 (8)
C306	0.30700 (9)	0.09601 (19)	0.75553 (10)	0.0456 (7)
C308	0.29228 (9)	0.2280 (2)	0.72155 (10)	0.0458 (7)
C326	0.48095 (9)	0.6636 (2)	0.55988 (10)	0.0481 (7)
C309	0.22454 (9)	0.0597 (2)	0.66756 (10)	0.0483 (7)
C307	0.25671 (9)	0.10528 (19)	0.69824 (10)	0.0451 (7)
C325	0.44583 (9)	0.7857 (2)	0.53430 (10)	0.0473 (7)
C303	0.33168 (9)	0.04464 (19)	0.79138 (10)	0.0469 (7)
C327	0.44086 (10)	0.8660 (2)	0.50525 (10)	0.0525 (8)
C334	0.51449 (9)	0.6045 (2)	0.55991 (10)	0.0503 (7)
C321	0.40601 (10)	0.6912 (2)	0.61964 (11)	0.0537 (8)
C302	0.32537 (10)	−0.0450 (2)	0.79816 (11)	0.0530 (8)
H302	0.304969	−0.076150	0.779316	0.064*
C324	0.43087 (10)	0.7067 (2)	0.58885 (10)	0.0515 (7)
C316	0.29982 (9)	0.3260 (2)	0.72063 (10)	0.0483 (7)
C301	0.34879 (10)	−0.0891 (2)	0.83239 (10)	0.0544 (8)
H301	0.343598	−0.150356	0.837220	0.065*
C331	0.46811 (10)	0.8876 (2)	0.48226 (11)	0.0539 (8)
H331	0.490835	0.851995	0.484695	0.065*
C314	0.33903 (12)	0.4527 (2)	0.74534 (14)	0.0689 (10)
H314	0.362256	0.476277	0.762821	0.083*
C311	0.18796 (11)	−0.0715 (2)	0.64361 (12)	0.0641 (10)
H311	0.182918	−0.133132	0.647644	0.077*
C330	0.46222 (10)	0.9620 (2)	0.45530 (11)	0.0567 (8)
H330	0.481286	0.976715	0.439454	0.068*
C315	0.33294 (11)	0.3616 (2)	0.74583 (13)	0.0652 (10)
H315	0.351548	0.323744	0.763510	0.078*
C310	0.21743 (10)	−0.0305 (2)	0.67269 (12)	0.0601 (9)
H310	0.232691	−0.063443	0.695970	0.072*
C335	0.52941 (10)	0.5944 (2)	0.52423 (12)	0.0600 (9)
H335	0.518246	0.625437	0.498321	0.072*
C320	0.36928 (11)	0.7260 (3)	0.61273 (13)	0.0681 (10)
H320	0.359404	0.760661	0.587591	0.082*
C336	0.56084 (11)	0.5388 (3)	0.52599 (12)	0.0627 (9)
H336	0.570876	0.531938	0.500746	0.075*
C313	0.20193 (11)	0.1046 (2)	0.63341 (12)	0.0659 (10)
H313	0.206059	0.166621	0.629110	0.079*
C319	0.34674 (13)	0.7109 (3)	0.64208 (14)	0.0712 (10)
H319	0.321380	0.735958	0.636788	0.085*
C317	0.27424 (12)	0.3837 (2)	0.69541 (13)	0.0657 (10)
H317	0.251175	0.361359	0.677095	0.079*
C318	0.28217 (12)	0.4742 (2)	0.69676 (13)	0.0673 (10)
H318	0.264061	0.513222	0.679137	0.081*
C312	0.17312 (12)	0.0585 (2)	0.60543 (13)	0.0719 (11)
H312	0.157534	0.090174	0.581877	0.086*
C322	0.41865 (14)	0.6402 (3)	0.65627 (14)	0.0794 (12)
H322	0.443771	0.613763	0.661972	0.095*
C329	0.40528 (13)	0.9938 (3)	0.47390 (15)	0.0797 (12)
H329	0.383487	1.032297	0.471839	0.096*
C304	0.36096 (14)	0.0865 (2)	0.82026 (15)	0.0918 (17)
H304	0.365170	0.149133	0.818096	0.110*
C323	0.39448 (15)	0.6277 (3)	0.68457 (15)	0.0870 (14)
H323	0.403712	0.592993	0.709861	0.104*
C328	0.40844 (13)	0.9191 (3)	0.50132 (15)	0.0769 (12)
H328	0.388836	0.905647	0.516628	0.092*
C305	0.38408 (15)	0.0370 (3)	0.85228 (16)	0.0976 (18)
H305	0.405379	0.066136	0.870726	0.117*
C333	0.53209 (15)	0.5587 (4)	0.59688 (15)	0.0948 (16)
H333	0.522376	0.563761	0.622419	0.114*
C332	0.56374 (14)	0.5060 (4)	0.59623 (14)	0.0953 (17)
H332	0.576157	0.476371	0.622094	0.114*
I405	0.6138 (2)	0.26639 (16)	0.5874 (3)	0.121 (2)	0.305 (8)
Zn43	0.6276 (3)	0.4177 (5)	0.5579 (3)	0.0622 (16)	0.305 (8)
I406	0.64615 (12)	0.4372 (5)	0.48536 (19)	0.0941 (12)	0.305 (8)
I303	0.36403 (16)	0.6784 (2)	0.79599 (10)	0.1038 (8)	0.504 (8)
Zn32	0.32174 (18)	0.6458 (4)	0.72177 (17)	0.0724 (11)	0.504 (8)
I304	0.25808 (13)	0.72923 (17)	0.69242 (16)	0.0973 (8)	0.504 (8)
I401	0.47091 (11)	−0.1512 (3)	0.87811 (11)	0.1254 (14)	0.2726
Zn41	0.41280 (19)	−0.1170 (5)	0.9101 (2)	0.089 (2)	0.2726
I402	0.37469 (11)	−0.2278 (2)	0.94510 (11)	0.1254 (14)	0.2726
I501	0.4450 (3)	−0.2010 (7)	0.9080 (3)	0.080*	0.0332
I502	0.3288 (3)	−0.1938 (6)	0.9441 (3)	0.080*	0.0332
Zn51	0.3833 (4)	−0.1204 (12)	0.9177 (5)	0.080*	0.0332

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I404	0.0745 (7)	0.0388 (4)	0.0769 (7)	0.0105 (4)	0.0283 (5)	0.0119 (3)
I302	0.0912 (3)	0.0392 (3)	0.0685 (4)	−0.0075 (2)	−0.0042 (3)	0.0000 (3)
I301	0.0720 (3)	0.0756 (4)	0.0594 (3)	0.0302 (3)	0.0063 (2)	−0.0008 (3)
I306	0.0697 (3)	0.0909 (7)	0.0622 (4)	0.0028 (4)	0.0033 (3)	−0.0252 (4)
I403	0.0986 (8)	0.0477 (4)	0.0522 (5)	−0.0067 (5)	0.0046 (6)	−0.0035 (3)
I305	0.1139 (5)	0.0442 (3)	0.0856 (4)	−0.0188 (3)	−0.0023 (6)	−0.0011 (3)
Zn31	0.0557 (4)	0.0364 (6)	0.0474 (6)	0.0087 (4)	−0.0074 (4)	−0.0048 (4)
Zn33	0.0522 (8)	0.0402 (12)	0.0573 (9)	0.0046 (7)	−0.0091 (5)	−0.0071 (7)
Zn42	0.0693 (14)	0.0345 (8)	0.0510 (9)	−0.0033 (8)	0.0113 (9)	0.0025 (6)
N302	0.0478 (14)	0.0288 (12)	0.0537 (14)	0.0056 (10)	−0.0036 (11)	−0.0013 (10)
N303	0.0467 (13)	0.0291 (12)	0.0527 (14)	0.0078 (10)	−0.0045 (11)	−0.0031 (10)
N309	0.0497 (14)	0.0440 (14)	0.0511 (14)	0.0018 (11)	−0.0031 (12)	0.0041 (11)
N304	0.0508 (14)	0.0324 (13)	0.0521 (14)	0.0050 (11)	−0.0026 (11)	−0.0012 (11)
N310	0.0522 (15)	0.0417 (14)	0.0470 (13)	0.0020 (11)	−0.0027 (11)	0.0037 (11)
N306	0.0749 (19)	0.0347 (14)	0.0619 (16)	−0.0018 (13)	0.0153 (14)	0.0002 (12)
N308	0.0528 (15)	0.0447 (15)	0.0559 (15)	0.0016 (12)	−0.0010 (12)	0.0084 (12)
N305	0.0537 (15)	0.0391 (14)	0.0651 (16)	0.0108 (12)	−0.0120 (13)	−0.0098 (12)
N312	0.0536 (15)	0.0453 (15)	0.0613 (17)	0.0079 (12)	−0.0099 (13)	0.0014 (13)
N301	0.0737 (18)	0.0305 (13)	0.0585 (16)	0.0075 (12)	−0.0157 (14)	−0.0048 (11)
N311	0.0701 (19)	0.0450 (16)	0.0529 (15)	−0.0027 (14)	−0.0065 (14)	0.0043 (12)
N307	0.086 (2)	0.0404 (15)	0.0671 (18)	−0.0007 (15)	0.0204 (16)	0.0060 (13)
C306	0.0477 (16)	0.0306 (14)	0.0546 (17)	0.0056 (12)	0.0028 (13)	−0.0025 (12)
C308	0.0468 (16)	0.0337 (15)	0.0538 (17)	0.0062 (12)	0.0042 (13)	−0.0019 (12)
C326	0.0492 (17)	0.0424 (16)	0.0464 (16)	−0.0015 (13)	−0.0029 (13)	0.0027 (13)
C309	0.0496 (17)	0.0366 (15)	0.0524 (17)	0.0072 (13)	−0.0021 (13)	−0.0062 (13)
C307	0.0491 (16)	0.0297 (14)	0.0503 (16)	0.0078 (12)	−0.0024 (13)	−0.0031 (12)
C325	0.0501 (17)	0.0403 (16)	0.0444 (15)	−0.0003 (13)	−0.0049 (13)	0.0015 (13)
C303	0.0511 (17)	0.0312 (14)	0.0518 (16)	0.0070 (12)	−0.0027 (13)	−0.0034 (12)
C327	0.063 (2)	0.0398 (17)	0.0460 (16)	0.0072 (14)	−0.0073 (14)	0.0007 (13)
C334	0.0505 (17)	0.0413 (16)	0.0523 (17)	0.0005 (13)	−0.0032 (14)	0.0074 (13)
C321	0.0592 (19)	0.0410 (17)	0.0578 (18)	0.0015 (14)	0.0064 (15)	0.0051 (14)
C302	0.0593 (19)	0.0355 (16)	0.0553 (18)	−0.0007 (14)	−0.0069 (14)	0.0007 (13)
C324	0.0544 (18)	0.0436 (17)	0.0510 (17)	0.0009 (14)	−0.0003 (14)	0.0034 (14)
C316	0.0558 (18)	0.0333 (15)	0.0521 (17)	0.0058 (13)	0.0036 (14)	0.0004 (13)
C301	0.070 (2)	0.0359 (16)	0.0488 (17)	0.0001 (14)	−0.0048 (15)	−0.0014 (13)
C331	0.0498 (18)	0.0454 (18)	0.0591 (19)	−0.0034 (14)	−0.0039 (15)	0.0053 (15)
C314	0.071 (2)	0.0395 (18)	0.087 (3)	−0.0066 (16)	−0.003 (2)	0.0084 (18)
C311	0.064 (2)	0.0368 (17)	0.076 (2)	0.0062 (15)	−0.0192 (18)	−0.0024 (16)
C330	0.0586 (19)	0.0440 (18)	0.0581 (19)	−0.0058 (15)	−0.0073 (15)	0.0049 (15)
C315	0.065 (2)	0.0389 (18)	0.081 (2)	−0.0008 (15)	−0.0076 (18)	0.0075 (16)
C310	0.063 (2)	0.0372 (17)	0.066 (2)	0.0036 (15)	−0.0159 (16)	0.0026 (15)
C335	0.059 (2)	0.055 (2)	0.060 (2)	0.0103 (16)	−0.0014 (16)	0.0102 (16)
C320	0.064 (2)	0.072 (3)	0.069 (2)	0.0054 (19)	0.0143 (18)	0.0214 (19)
C336	0.063 (2)	0.059 (2)	0.061 (2)	0.0093 (17)	0.0029 (16)	0.0017 (17)
C313	0.077 (2)	0.0349 (17)	0.068 (2)	0.0067 (16)	−0.0214 (18)	−0.0028 (15)
C319	0.074 (3)	0.064 (2)	0.078 (3)	0.0091 (19)	0.022 (2)	0.016 (2)
C317	0.075 (2)	0.0335 (16)	0.073 (2)	0.0061 (16)	−0.0171 (18)	−0.0005 (16)
C318	0.085 (3)	0.0369 (18)	0.070 (2)	0.0132 (17)	−0.0050 (19)	0.0052 (16)
C312	0.083 (3)	0.0393 (18)	0.073 (2)	0.0089 (17)	−0.028 (2)	−0.0012 (16)
C322	0.082 (3)	0.086 (3)	0.072 (3)	0.024 (2)	0.020 (2)	0.025 (2)
C329	0.080 (3)	0.066 (3)	0.091 (3)	0.030 (2)	0.014 (2)	0.020 (2)
C304	0.105 (3)	0.0300 (17)	0.104 (3)	−0.0100 (19)	−0.055 (3)	0.0114 (19)
C323	0.104 (3)	0.088 (3)	0.075 (3)	0.029 (3)	0.031 (2)	0.034 (2)
C328	0.079 (3)	0.070 (3)	0.086 (3)	0.025 (2)	0.027 (2)	0.028 (2)
C305	0.108 (3)	0.0351 (19)	0.111 (3)	−0.007 (2)	−0.059 (3)	0.012 (2)
C333	0.101 (3)	0.118 (4)	0.067 (2)	0.058 (3)	0.022 (2)	0.038 (3)
C332	0.099 (3)	0.120 (4)	0.065 (2)	0.061 (3)	0.014 (2)	0.034 (3)
I405	0.136 (3)	0.0420 (7)	0.133 (3)	−0.0314 (10)	−0.084 (2)	0.0257 (11)
Zn43	0.058 (3)	0.0320 (16)	0.079 (4)	0.0038 (15)	−0.024 (2)	−0.0045 (19)
I406	0.0732 (11)	0.110 (2)	0.0922 (17)	0.0210 (13)	0.0037 (10)	−0.0394 (16)
I303	0.153 (2)	0.0718 (10)	0.1000 (10)	−0.0490 (11)	0.0558 (10)	−0.0316 (7)
Zn32	0.097 (3)	0.0310 (9)	0.102 (2)	−0.0035 (13)	0.0502 (18)	0.0030 (14)
I304	0.0968 (14)	0.0455 (6)	0.1728 (18)	0.0254 (7)	0.0798 (13)	0.0372 (9)
I401	0.130 (3)	0.0912 (19)	0.114 (2)	0.0676 (18)	−0.0615 (16)	−0.0461 (16)
Zn41	0.148 (5)	0.0244 (16)	0.062 (3)	0.016 (3)	−0.048 (3)	−0.0068 (16)
I402	0.231 (4)	0.0371 (9)	0.0873 (14)	−0.0334 (16)	−0.0092 (16)	−0.0061 (8)

Geometric parameters (Å, º)

I404—Zn42	2.524 (5)	C327—C328	1.374 (5)
I302—Zn31	2.517 (3)	C334—C335	1.358 (5)
I301—Zn31	2.543 (2)	C334—C333	1.381 (5)
I306—Zn33	2.538 (3)	C321—C324	1.468 (5)
I403—Zn42	2.544 (4)	C321—C320	1.368 (5)
I305—Zn33	2.530 (3)	C321—C322	1.379 (5)
Zn31—N301	2.081 (4)	C302—H302	0.9500
Zn31—N311^i	2.098 (4)	C302—C301	1.379 (4)
Zn33—N305^ii	2.076 (5)	C316—C315	1.369 (5)
Zn33—N312	2.050 (5)	C316—C317	1.370 (4)
Zn42—N306	2.106 (6)	C301—H301	0.9500
Zn42—N307	2.017 (6)	C331—H331	0.9500
N302—C306	1.338 (4)	C331—C330	1.389 (5)
N302—C308	1.334 (4)	C314—H314	0.9500
N303—C306	1.327 (4)	C314—C315	1.376 (5)
N303—C307	1.340 (4)	C311—H311	0.9500
N309—C325	1.324 (4)	C311—C310	1.373 (5)
N309—C324	1.342 (4)	C330—H330	0.9500
N304—C308	1.330 (4)	C315—H315	0.9500
N304—C307	1.340 (4)	C310—H310	0.9500
N310—C326	1.328 (4)	C335—H335	0.9500
N310—C325	1.345 (4)	C335—C336	1.375 (5)
N306—C314	1.332 (5)	C320—H320	0.9500
N306—C318	1.330 (5)	C320—C319	1.370 (6)
N306—Zn32	2.049 (6)	C336—H336	0.9500
N308—C326	1.337 (4)	C313—H313	0.9500
N308—C324	1.337 (4)	C313—C312	1.377 (5)
N305—C311	1.336 (4)	C319—H319	0.9500
N305—C312	1.338 (5)	C317—H317	0.9500
N305—Zn43^iii	2.054 (10)	C317—C318	1.377 (5)
N312—C336	1.329 (4)	C318—H318	0.9500
N312—C332	1.317 (5)	C312—H312	0.9500
N312—Zn43	2.120 (9)	C322—H322	0.9500
N301—C301	1.334 (4)	C322—C323	1.381 (6)
N301—C305	1.319 (5)	C329—H329	0.9500
N301—Zn41	2.064 (7)	C329—C328	1.403 (6)
N301—Zn51	2.119 (14)	C329—Zn51^iv	2.60 (2)
N311—C330	1.323 (5)	C304—H304	0.9500
N311—C329	1.314 (5)	C304—C305	1.371 (5)
N311—Zn41^iv	2.029 (8)	C323—H323	0.9500
N311—Zn51^iv	2.39 (2)	C328—H328	0.9500
N307—C319	1.346 (5)	C305—H305	0.9500
N307—C323	1.323 (6)	C333—H333	0.9500
N307—Zn32	2.125 (7)	C333—C332	1.369 (6)
C306—C303	1.484 (4)	C332—H332	0.9500
C308—C316	1.487 (4)	I405—Zn43	2.531 (7)
C326—C334	1.476 (5)	Zn43—I406	2.544 (7)
C309—C307	1.487 (4)	I303—Zn32	2.542 (5)
C309—C310	1.384 (5)	Zn32—I304	2.557 (5)
C309—C313	1.370 (4)	I401—Zn41	2.532 (7)
C325—C327	1.497 (4)	Zn41—I402	2.536 (7)
C303—C302	1.379 (4)	I501—Zn51	2.563 (14)
C303—C304	1.371 (5)	I502—Zn51	2.515 (14)
C327—C331	1.367 (5)
I302—Zn31—I301	126.27 (12)	N301—C301—C302	122.3 (3)
N301—Zn31—I302	106.98 (13)	N301—C301—H301	118.9
N301—Zn31—I301	106.29 (14)	C302—C301—H301	118.9
N301—Zn31—N311^i	97.35 (15)	C327—C331—H331	120.4
N311^i—Zn31—I302	106.39 (14)	C327—C331—C330	119.3 (3)
N311^i—Zn31—I301	109.75 (14)	C330—C331—H331	120.4
I305—Zn33—I306	124.13 (15)	N306—C314—H314	118.4
N305^ii—Zn33—I306	106.33 (16)	N306—C314—C315	123.3 (4)
N305^ii—Zn33—I305	109.68 (17)	C315—C314—H314	118.4
N312—Zn33—I306	105.99 (16)	N305—C311—H311	118.5
N312—Zn33—I305	107.60 (17)	N305—C311—C310	123.0 (3)
N312—Zn33—N305^ii	100.6 (2)	C310—C311—H311	118.5
I404—Zn42—I403	122.0 (2)	N311—C330—C331	122.3 (4)
N306—Zn42—I404	107.9 (2)	N311—C330—H330	118.9
N306—Zn42—I403	107.5 (2)	C331—C330—H330	118.9
N307—Zn42—I404	103.7 (2)	C316—C315—C314	119.4 (3)
N307—Zn42—I403	110.4 (2)	C316—C315—H315	120.3
N307—Zn42—N306	104.0 (2)	C314—C315—H315	120.3
C308—N302—C306	114.6 (3)	C309—C310—H310	120.5
C306—N303—C307	114.9 (3)	C311—C310—C309	119.0 (3)
C325—N309—C324	115.2 (3)	C311—C310—H310	120.5
C308—N304—C307	114.8 (3)	C334—C335—H335	120.3
C326—N310—C325	114.7 (3)	C334—C335—C336	119.3 (3)
C314—N306—Zn42	115.7 (3)	C336—C335—H335	120.3
C314—N306—Zn32	123.9 (3)	C321—C320—H320	120.0
C318—N306—Zn42	127.5 (3)	C321—C320—C319	120.0 (4)
C318—N306—C314	116.8 (3)	C319—C320—H320	120.0
C318—N306—Zn32	119.3 (3)	N312—C336—C335	122.9 (4)
C326—N308—C324	115.2 (3)	N312—C336—H336	118.6
C311—N305—Zn33^iii	120.8 (2)	C335—C336—H336	118.6
C311—N305—C312	117.4 (3)	C309—C313—H313	120.5
C311—N305—Zn43^iii	128.4 (3)	C309—C313—C312	119.0 (3)
C312—N305—Zn33^iii	121.7 (2)	C312—C313—H313	120.5
C312—N305—Zn43^iii	113.5 (3)	N307—C319—C320	122.7 (4)
C336—N312—Zn33	126.2 (3)	N307—C319—H319	118.7
C336—N312—Zn43	116.6 (4)	C320—C319—H319	118.7
C332—N312—Zn33	116.2 (3)	C316—C317—H317	120.2
C332—N312—C336	117.5 (3)	C316—C317—C318	119.6 (3)
C332—N312—Zn43	125.8 (3)	C318—C317—H317	120.2
C301—N301—Zn31	124.1 (2)	N306—C318—C317	123.1 (3)
C301—N301—Zn41	121.2 (3)	N306—C318—H318	118.4
C301—N301—Zn51	103.3 (6)	C317—C318—H318	118.4
C305—N301—Zn31	118.2 (3)	N305—C312—C313	123.0 (3)
C305—N301—C301	117.3 (3)	N305—C312—H312	118.5
C305—N301—Zn41	121.4 (3)	C313—C312—H312	118.5
C305—N301—Zn51	130.1 (6)	C321—C322—H322	120.3
Zn31^iv—N311—Zn51^iv	36.9 (4)	C321—C322—C323	119.4 (4)
C330—N311—Zn31^iv	121.0 (3)	C323—C322—H322	120.3
C330—N311—Zn41^iv	130.2 (3)	N311—C329—H329	118.4
C330—N311—Zn51^iv	157.0 (4)	N311—C329—C328	123.3 (4)
C329—N311—Zn31^iv	120.5 (3)	N311—C329—Zn51^iv	66.2 (4)
C329—N311—C330	118.4 (3)	C328—C329—H329	118.4
C329—N311—Zn41^iv	111.3 (3)	C328—C329—Zn51^iv	167.1 (5)
C329—N311—Zn51^iv	83.6 (4)	Zn51^iv—C329—H329	53.1
Zn41^iv—N311—Zn51^iv	27.8 (4)	C303—C304—H304	120.4
C319—N307—Zn42	125.9 (3)	C305—C304—C303	119.2 (3)
C319—N307—Zn32	119.0 (3)	C305—C304—H304	120.4
C323—N307—Zn42	116.5 (3)	N307—C323—C322	123.0 (4)
C323—N307—C319	117.3 (3)	N307—C323—H323	118.5
C323—N307—Zn32	123.7 (3)	C322—C323—H323	118.5
N302—C306—C303	116.1 (3)	C327—C328—C329	117.7 (4)
N303—C306—N302	125.4 (3)	C327—C328—H328	121.2
N303—C306—C303	118.5 (3)	C329—C328—H328	121.2
N302—C308—C316	115.3 (3)	N301—C305—C304	123.8 (4)
N304—C308—N302	125.4 (3)	N301—C305—H305	118.1
N304—C308—C316	119.3 (3)	C304—C305—H305	118.1
N310—C326—N308	125.1 (3)	C334—C333—H333	120.5
N310—C326—C334	116.8 (3)	C332—C333—C334	119.1 (4)
N308—C326—C334	118.0 (3)	C332—C333—H333	120.5
C310—C309—C307	119.9 (3)	N312—C332—C333	123.1 (4)
C313—C309—C307	121.5 (3)	N312—C332—H332	118.4
C313—C309—C310	118.6 (3)	C333—C332—H332	118.4
N303—C307—C309	116.4 (3)	N305^ii—Zn43—N312	99.0 (4)
N304—C307—N303	124.8 (3)	N305^ii—Zn43—I405	101.3 (3)
N304—C307—C309	118.8 (3)	N305^ii—Zn43—I406	115.2 (4)
N309—C325—N310	125.2 (3)	N312—Zn43—I405	103.4 (3)
N309—C325—C327	118.7 (3)	N312—Zn43—I406	111.6 (3)
N310—C325—C327	116.1 (3)	I405—Zn43—I406	123.1 (4)
C302—C303—C306	122.1 (3)	N306—Zn32—N307	102.2 (3)
C304—C303—C306	120.4 (3)	N306—Zn32—I303	104.1 (2)
C304—C303—C302	117.4 (3)	N306—Zn32—I304	112.0 (2)
C331—C327—C325	121.0 (3)	N307—Zn32—I303	105.1 (2)
C331—C327—C328	119.0 (3)	N307—Zn32—I304	109.2 (2)
C328—C327—C325	119.9 (3)	I303—Zn32—I304	122.3 (2)
C335—C334—C326	121.6 (3)	N301—Zn41—I401	99.9 (3)
C335—C334—C333	118.0 (3)	N301—Zn41—I402	112.9 (3)
C333—C334—C326	120.4 (3)	N311^i—Zn41—N301	100.1 (3)
C320—C321—C324	121.2 (3)	N311^i—Zn41—I401	103.9 (3)
C320—C321—C322	117.6 (4)	N311^i—Zn41—I402	109.9 (3)
C322—C321—C324	121.2 (3)	I401—Zn41—I402	126.8 (3)
C303—C302—H302	120.1	N301—Zn51—N311^i	88.0 (6)
C301—C302—C303	119.8 (3)	N301—Zn51—C329^i	101.1 (7)
C301—C302—H302	120.1	N301—Zn51—I501	92.2 (5)
N309—C324—C321	118.3 (3)	N301—Zn51—I502	126.3 (8)
N308—C324—N309	124.4 (3)	N311^i—Zn51—C329^i	30.2 (3)
N308—C324—C321	117.3 (3)	N311^i—Zn51—I501	80.4 (5)
C315—C316—C308	120.2 (3)	N311^i—Zn51—I502	131.2 (8)
C315—C316—C317	117.8 (3)	I502—Zn51—I501	124.7 (7)
C317—C316—C308	122.0 (3)
Zn31—N301—C301—C302	−169.6 (3)	C303—C304—C305—N301	−4.4 (10)
Zn31—N301—C305—C304	173.4 (5)	C327—C331—C330—N311	−0.1 (5)
Zn31^iv—N311—C330—C331	−173.0 (3)	C334—C335—C336—N312	−0.6 (6)
Zn31^iv—N311—C329—C328	171.8 (4)	C334—C333—C332—N312	−2.0 (9)
Zn33^iii—N305—C311—C310	179.1 (3)	C321—C320—C319—N307	−0.5 (7)
Zn33^iii—N305—C312—C313	−179.7 (4)	C321—C322—C323—N307	0.8 (8)
Zn33—N312—C336—C335	176.1 (3)	C302—C303—C304—C305	4.5 (8)
Zn33—N312—C332—C333	−175.1 (5)	C324—N309—C325—N310	2.6 (4)
Zn42—N306—C314—C315	−179.3 (4)	C324—N309—C325—C327	−175.6 (3)
Zn42—N306—C318—C317	178.6 (4)	C324—N308—C326—N310	1.3 (5)
Zn42—N307—C319—C320	173.5 (4)	C324—N308—C326—C334	178.7 (3)
Zn42—N307—C323—C322	−174.3 (4)	C324—C321—C320—C319	−179.7 (4)
N302—C306—C303—C302	−179.4 (3)	C324—C321—C322—C323	179.6 (4)
N302—C306—C303—C304	3.2 (5)	C316—C317—C318—N306	0.2 (7)
N302—C308—C316—C315	9.3 (5)	C301—N301—C305—C304	1.0 (8)
N302—C308—C316—C317	−170.0 (3)	C331—C327—C328—C329	−0.6 (6)
N303—C306—C303—C302	1.1 (5)	C314—N306—C318—C317	1.0 (6)
N303—C306—C303—C304	−176.3 (4)	C311—N305—C312—C313	1.0 (7)
N309—C325—C327—C331	167.3 (3)	C330—N311—C329—C328	−3.1 (7)
N309—C325—C327—C328	−13.0 (5)	C330—N311—C329—Zn51^iv	−173.0 (5)
N304—C308—C316—C315	−172.1 (3)	C315—C316—C317—C318	−1.1 (6)
N304—C308—C316—C317	8.6 (5)	C310—C309—C307—N303	0.5 (5)
N310—C326—C334—C335	−22.9 (5)	C310—C309—C307—N304	−178.3 (3)
N310—C326—C334—C333	155.9 (4)	C310—C309—C313—C312	−0.2 (6)
N310—C325—C327—C331	−11.1 (4)	C335—C334—C333—C332	0.4 (8)
N310—C325—C327—C328	168.7 (3)	C320—C321—C324—N309	21.3 (5)
N306—C314—C315—C316	0.5 (7)	C320—C321—C324—N308	−159.5 (3)
N308—C326—C334—C335	159.5 (3)	C320—C321—C322—C323	−1.3 (7)
N308—C326—C334—C333	−21.7 (5)	C336—N312—C332—C333	2.3 (8)
N305—C311—C310—C309	1.2 (6)	C313—C309—C307—N303	−178.2 (3)
N311—C329—C328—C327	2.5 (7)	C313—C309—C307—N304	3.0 (5)
C306—N302—C308—N304	−4.9 (5)	C313—C309—C310—C311	−0.3 (6)
C306—N302—C308—C316	173.6 (3)	C319—N307—C323—C322	−0.1 (7)
C306—N303—C307—N304	−3.7 (5)	C317—C316—C315—C314	0.8 (6)
C306—N303—C307—C309	177.5 (3)	C318—N306—C314—C315	−1.4 (6)
C306—C303—C302—C301	−178.9 (3)	C312—N305—C311—C310	−1.5 (6)
C306—C303—C304—C305	−178.0 (5)	C322—C321—C324—N309	−159.6 (4)
C308—N302—C306—N303	3.5 (5)	C322—C321—C324—N308	19.6 (5)
C308—N302—C306—C303	−175.9 (3)	C322—C321—C320—C319	1.1 (6)
C308—N304—C307—N303	2.6 (5)	C329—N311—C330—C331	1.8 (5)
C308—N304—C307—C309	−178.7 (3)	C304—C303—C302—C301	−1.5 (6)
C308—C316—C315—C314	−178.5 (4)	C323—N307—C319—C320	−0.1 (7)
C308—C316—C317—C318	178.1 (4)	C328—C327—C331—C330	−0.5 (5)
C326—N310—C325—N309	−5.2 (4)	C305—N301—C301—C302	2.3 (6)
C326—N310—C325—C327	173.1 (3)	C333—C334—C335—C336	0.8 (6)
C326—N308—C324—N309	−4.3 (5)	C332—N312—C336—C335	−1.0 (6)
C326—N308—C324—C321	176.5 (3)	Zn43^iii—N305—C311—C310	168.5 (4)
C326—C334—C335—C336	179.6 (3)	Zn43^iii—N305—C312—C313	−170.5 (5)
C326—C334—C333—C332	−178.4 (5)	Zn43—N312—C336—C335	−177.0 (4)
C309—C313—C312—N305	−0.1 (7)	Zn43—N312—C332—C333	177.9 (5)
C307—N303—C306—N302	0.4 (5)	Zn32—N306—C314—C315	178.1 (4)
C307—N303—C306—C303	179.9 (3)	Zn32—N306—C318—C317	−178.5 (4)
C307—N304—C308—N302	2.1 (5)	Zn32—N307—C319—C320	178.6 (4)
C307—N304—C308—C316	−176.4 (3)	Zn32—N307—C323—C322	−178.7 (4)
C307—C309—C310—C311	−179.0 (4)	Zn41—N301—C301—C302	179.7 (4)
C307—C309—C313—C312	178.5 (4)	Zn41—N301—C305—C304	−176.5 (5)
C325—N309—C324—N308	2.5 (5)	Zn41^iv—N311—C330—C331	−173.3 (3)
C325—N309—C324—C321	−178.4 (3)	Zn41^iv—N311—C329—C328	173.0 (4)
C325—N310—C326—N308	3.1 (4)	Zn51—N301—C301—C302	152.3 (5)
C325—N310—C326—C334	−174.3 (3)	Zn51—N301—C305—C304	−139.6 (7)
C325—C327—C331—C330	179.3 (3)	Zn51^iv—N311—C330—C331	−160.2 (10)
C325—C327—C328—C329	179.6 (4)	Zn51^iv—N311—C329—C328	170.0 (6)
C303—C302—C301—N301	−2.0 (6)	Zn51^iv—C329—C328—C327	137.0 (19)

Symmetry codes: (i) x, −y+1, z+1/2; (ii) x+1/2, y+1/2, z; (iii) x−1/2, y−1/2, z; (iv) x, −y+1, z−1/2.

catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc (4_mbp_4_10_96b)

Crystal data

C36H24I6N12Zn3	F(000) = 5856
Mr = 1582.18	Dx = 1.286 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 35.3636 (7) Å	Cell parameters from 15140 reflections
b = 14.9223 (2) Å	θ = 2.6–68.6°
c = 31.7483 (6) Å	µ = 19.02 mm^−1
β = 102.783 (2)°	T = 100 K
V = 16338.5 (5) Å^3	Block, colourless
Z = 8	0.21 × 0.15 × 0.11 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	14822 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	12287 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.036
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −42→36
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −17→15
Tmin = 0.118, Tmax = 0.309	l = −38→36
65436 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.047	H-atom parameters constrained
wR(F^2) = 0.151	w = 1/[σ^2(Fo^2) + (0.0967P)^2 + 13.1558P] where P = (Fo^2 + 2Fc^2)/3
S = 1.08	(Δ/σ)max = 0.001
14822 reflections	Δρmax = 1.27 e Å^−3
606 parameters	Δρmin = −0.61 e Å^−3
21 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. No guests or solvent were identified from the electron density map, SQUEEZE has been applied to address the residual electron density within the pore. SQUEEZE analysis indicated one void with a volume of 1027 Ang**3 and an electron count of 261. This is equivalent to 5.44 cyclohexane molecules or 2.51 4-methylbenzophenone molecules.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I306	0.64128 (9)	0.5928 (2)	0.49453 (8)	0.0807 (4)	0.598 (9)
I304	0.26909 (10)	0.2620 (2)	0.70210 (8)	0.0728 (5)	0.530 (13)
I301	0.38561 (4)	1.23755 (11)	0.93605 (5)	0.0731 (2)	0.6509
I302	0.47867 (5)	1.13558 (13)	0.87148 (5)	0.0742 (3)	0.6509
I303	0.37600 (9)	0.33249 (19)	0.79892 (7)	0.0751 (6)	0.530 (13)
I305	0.60355 (6)	0.73523 (12)	0.60208 (6)	0.0884 (5)	0.598 (9)
Zn33	0.62273 (17)	0.5947 (4)	0.56712 (19)	0.0576 (7)	0.598 (9)
Zn31	0.42037 (8)	1.1154 (2)	0.90487 (11)	0.0540 (5)	0.6509
Zn32	0.32895 (15)	0.3573 (3)	0.72656 (16)	0.0620 (9)	0.530 (13)
N303	0.27762 (10)	0.9456 (2)	0.72993 (11)	0.0502 (8)
N302	0.31616 (10)	0.8175 (2)	0.75238 (11)	0.0525 (8)
N304	0.26250 (10)	0.8073 (2)	0.69351 (11)	0.0544 (8)
N310	0.47419 (11)	0.2715 (2)	0.53090 (12)	0.0569 (9)
N309	0.42268 (11)	0.2232 (3)	0.56193 (12)	0.0597 (9)
N312	0.57738 (11)	0.5051 (3)	0.56175 (13)	0.0626 (9)
N306	0.31392 (12)	0.4915 (2)	0.72151 (13)	0.0626 (9)
N308	0.46042 (11)	0.3496 (3)	0.59047 (12)	0.0583 (9)
N305	0.16576 (11)	1.0286 (2)	0.61021 (12)	0.0610 (9)
N301	0.37811 (13)	1.0493 (2)	0.85913 (13)	0.0680 (11)
N311	0.43078 (13)	−0.0123 (3)	0.45074 (13)	0.0664 (10)
N307	0.35875 (14)	0.3387 (3)	0.67817 (14)	0.0712 (11)
C308	0.29214 (13)	0.7716 (3)	0.72169 (14)	0.0528 (9)
C306	0.30705 (12)	0.9045 (3)	0.75565 (13)	0.0513 (9)
C325	0.44547 (13)	0.2143 (3)	0.53434 (13)	0.0527 (10)
C326	0.48079 (12)	0.3354 (3)	0.56017 (13)	0.0538 (10)
C327	0.44062 (14)	0.1339 (3)	0.50506 (14)	0.0570 (11)
C307	0.25656 (12)	0.8955 (3)	0.69847 (14)	0.0529 (9)
C303	0.33106 (12)	0.9565 (3)	0.79161 (13)	0.0529 (10)
C309	0.22439 (13)	0.9404 (3)	0.66768 (14)	0.0545 (10)
C302	0.32545 (14)	1.0450 (3)	0.79827 (14)	0.0589 (11)
H302	0.305167	1.076512	0.779460	0.071*
C331	0.46776 (14)	0.1125 (3)	0.48257 (15)	0.0605 (11)
H331	0.490533	0.147746	0.485261	0.073*
C316	0.29949 (13)	0.6747 (3)	0.72061 (14)	0.0557 (10)
C324	0.43095 (13)	0.2936 (3)	0.58879 (14)	0.0576 (10)
C334	0.51423 (13)	0.3956 (3)	0.56022 (14)	0.0570 (10)
C321	0.40583 (14)	0.3083 (3)	0.61964 (15)	0.0606 (11)
C301	0.34911 (14)	1.0892 (3)	0.83224 (15)	0.0612 (11)
H301	0.344402	1.150868	0.836513	0.073*
C335	0.52930 (15)	0.4055 (3)	0.52484 (16)	0.0683 (13)
H335	0.518256	0.374023	0.499050	0.082*
C330	0.46181 (15)	0.0376 (3)	0.45533 (15)	0.0644 (12)
H330	0.480918	0.022595	0.439672	0.077*
C336	0.56053 (15)	0.4611 (4)	0.52614 (17)	0.0700 (13)
H336	0.570383	0.468203	0.500823	0.084*
C314	0.33911 (16)	0.5475 (3)	0.74548 (18)	0.0738 (14)
H314	0.362396	0.524005	0.762779	0.089*
C313	0.20159 (16)	0.8957 (3)	0.63416 (17)	0.0737 (15)
H313	0.205521	0.833587	0.630133	0.088*
C310	0.21709 (15)	1.0311 (3)	0.67290 (16)	0.0680 (13)
H310	0.232249	1.064253	0.696167	0.082*
C317	0.27450 (15)	0.6177 (3)	0.69523 (17)	0.0694 (13)
H317	0.251695	0.640018	0.676481	0.083*
C311	0.18793 (15)	1.0710 (3)	0.64407 (18)	0.0725 (14)
H311	0.182905	1.132561	0.648105	0.087*
C315	0.33251 (15)	0.6380 (3)	0.74598 (18)	0.0714 (14)
H315	0.350896	0.675683	0.764014	0.086*
C312	0.17265 (16)	0.9415 (3)	0.60601 (18)	0.0786 (16)
H312	0.156958	0.909539	0.582650	0.094*
C320	0.36851 (16)	0.2745 (4)	0.61294 (19)	0.0761 (14)
H320	0.358279	0.240145	0.587813	0.091*
C318	0.28242 (17)	0.5274 (3)	0.69684 (18)	0.0765 (15)
H318	0.264262	0.488509	0.679241	0.092*
C329	0.40474 (18)	0.0063 (4)	0.4737 (2)	0.0835 (16)
H329	0.383305	−0.032997	0.471945	0.100*
C328	0.40771 (19)	0.0818 (4)	0.5003 (2)	0.0855 (17)
H328	0.387697	0.096710	0.514727	0.103*
C304	0.3614 (2)	0.9131 (3)	0.8198 (2)	0.103 (3)
H304	0.366115	0.851138	0.816560	0.124*
C319	0.34685 (18)	0.2901 (4)	0.64171 (19)	0.0796 (15)
H319	0.321470	0.265385	0.636202	0.096*
C332	0.5639 (2)	0.4923 (5)	0.5968 (2)	0.105 (2)
H332	0.577058	0.520300	0.622861	0.126*
C322	0.41826 (19)	0.3591 (4)	0.65652 (19)	0.0846 (16)
H322	0.443335	0.385425	0.662373	0.102*
C323	0.3946 (2)	0.3714 (5)	0.6844 (2)	0.0901 (18)
H323	0.404123	0.405321	0.709846	0.108*
C305	0.3841 (2)	0.9616 (3)	0.8522 (2)	0.109 (3)
H305	0.405151	0.932196	0.870893	0.131*
C333	0.5320 (2)	0.4410 (5)	0.5978 (2)	0.101 (2)
H333	0.522333	0.436441	0.623315	0.121*
I405	0.60963 (18)	0.73385 (17)	0.5925 (2)	0.1630 (16)	0.402 (9)
Zn43	0.6247 (3)	0.5862 (7)	0.5610 (3)	0.083 (2)	0.402 (9)
I406	0.64474 (16)	0.5732 (5)	0.48892 (18)	0.1190 (16)	0.402 (9)
I402	0.47146 (12)	1.1512 (3)	0.87734 (12)	0.1305 (16)	0.3181
Zn41	0.4129 (2)	1.1178 (4)	0.9095 (2)	0.097 (3)	0.3181
I401	0.37557 (14)	1.2298 (3)	0.94478 (13)	0.1376 (18)	0.3181
I501	0.3295 (4)	1.1943 (9)	0.9445 (4)	0.080*	0.031
I502	0.4449 (4)	1.1999 (9)	0.9068 (4)	0.080*	0.031
Zn51	0.3812 (9)	1.122 (2)	0.9194 (9)	0.080*	0.031
Zn42	0.3231 (2)	0.3522 (4)	0.7208 (2)	0.0789 (15)	0.470 (13)
I403	0.3642 (3)	0.3218 (4)	0.79569 (16)	0.1080 (12)	0.470 (13)
I404	0.2587 (2)	0.2713 (3)	0.6919 (3)	0.1042 (13)	0.470 (13)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I306	0.0803 (7)	0.0947 (8)	0.0591 (6)	0.0013 (5)	−0.0015 (4)	0.0235 (5)
I304	0.0939 (11)	0.0461 (6)	0.0803 (11)	−0.0130 (6)	0.0231 (7)	−0.0129 (4)
I301	0.0970 (4)	0.0460 (4)	0.0660 (5)	0.0073 (3)	−0.0040 (4)	−0.0020 (3)
I302	0.0806 (5)	0.0805 (7)	0.0577 (4)	−0.0281 (4)	0.0070 (4)	−0.0017 (4)
I303	0.1097 (11)	0.0541 (6)	0.0538 (8)	0.0072 (7)	0.0014 (8)	0.0040 (5)
I305	0.1186 (8)	0.0527 (6)	0.0847 (7)	0.0159 (5)	0.0029 (10)	0.0036 (4)
Zn33	0.0590 (13)	0.0467 (16)	0.0551 (10)	−0.0048 (10)	−0.0134 (9)	0.0093 (9)
Zn31	0.0629 (7)	0.0443 (10)	0.0453 (7)	−0.0086 (5)	−0.0083 (6)	0.0028 (6)
Zn32	0.0885 (14)	0.0335 (13)	0.0573 (11)	0.0036 (9)	0.0017 (11)	−0.0021 (8)
N303	0.0572 (18)	0.0338 (16)	0.0508 (18)	−0.0042 (14)	−0.0066 (14)	0.0013 (13)
N302	0.0581 (19)	0.0331 (16)	0.0567 (19)	−0.0041 (14)	−0.0083 (15)	0.0008 (14)
N304	0.066 (2)	0.0360 (18)	0.0530 (19)	−0.0064 (15)	−0.0046 (16)	−0.0006 (14)
N310	0.064 (2)	0.049 (2)	0.0503 (19)	−0.0031 (16)	−0.0041 (16)	−0.0062 (15)
N309	0.064 (2)	0.050 (2)	0.055 (2)	−0.0041 (16)	−0.0072 (17)	−0.0045 (16)
N312	0.064 (2)	0.050 (2)	0.063 (2)	−0.0029 (17)	−0.0090 (17)	−0.0010 (16)
N306	0.082 (2)	0.0391 (19)	0.064 (2)	0.0005 (17)	0.0121 (19)	−0.0009 (16)
N308	0.059 (2)	0.052 (2)	0.055 (2)	0.0030 (16)	−0.0063 (16)	−0.0088 (15)
N305	0.067 (2)	0.0422 (19)	0.060 (2)	−0.0103 (16)	−0.0155 (17)	0.0072 (15)
N301	0.090 (3)	0.0325 (18)	0.063 (2)	−0.0079 (17)	−0.0234 (19)	0.0079 (15)
N311	0.075 (2)	0.052 (2)	0.060 (2)	0.0022 (19)	−0.0126 (19)	−0.0059 (17)
N307	0.093 (3)	0.053 (2)	0.067 (3)	−0.002 (2)	0.017 (2)	−0.0087 (18)
C308	0.060 (2)	0.040 (2)	0.050 (2)	−0.0031 (17)	−0.0055 (18)	0.0016 (16)
C306	0.062 (2)	0.034 (2)	0.051 (2)	−0.0065 (17)	−0.0002 (18)	0.0016 (16)
C325	0.063 (2)	0.044 (2)	0.043 (2)	−0.0028 (18)	−0.0068 (18)	−0.0027 (16)
C326	0.058 (2)	0.047 (2)	0.047 (2)	0.0055 (18)	−0.0091 (17)	−0.0027 (17)
C327	0.071 (3)	0.043 (2)	0.047 (2)	−0.0098 (19)	−0.0085 (19)	−0.0027 (17)
C307	0.058 (2)	0.041 (2)	0.053 (2)	−0.0077 (17)	−0.0026 (18)	0.0029 (17)
C303	0.062 (2)	0.038 (2)	0.050 (2)	−0.0069 (17)	−0.0065 (18)	0.0034 (16)
C309	0.061 (2)	0.040 (2)	0.054 (2)	−0.0059 (17)	−0.0054 (18)	0.0066 (17)
C302	0.071 (3)	0.043 (2)	0.053 (2)	−0.0020 (19)	−0.0075 (19)	−0.0003 (18)
C331	0.059 (2)	0.055 (3)	0.057 (2)	0.001 (2)	−0.009 (2)	−0.0084 (19)
C316	0.067 (3)	0.042 (2)	0.054 (2)	−0.0039 (19)	0.0051 (19)	0.0016 (17)
C324	0.064 (3)	0.048 (2)	0.052 (2)	0.0012 (19)	−0.0059 (19)	−0.0040 (18)
C334	0.061 (2)	0.051 (2)	0.050 (2)	0.0016 (19)	−0.0063 (18)	−0.0107 (18)
C321	0.070 (3)	0.049 (2)	0.058 (2)	0.000 (2)	0.002 (2)	−0.0047 (19)
C301	0.074 (3)	0.042 (2)	0.057 (2)	0.0036 (19)	−0.008 (2)	0.0047 (18)
C335	0.076 (3)	0.066 (3)	0.054 (3)	−0.010 (2)	−0.007 (2)	−0.013 (2)
C330	0.075 (3)	0.047 (2)	0.060 (3)	0.012 (2)	−0.011 (2)	0.0001 (19)
C336	0.071 (3)	0.068 (3)	0.063 (3)	−0.007 (2)	−0.002 (2)	−0.005 (2)
C314	0.080 (3)	0.045 (3)	0.084 (3)	0.005 (2)	−0.007 (3)	−0.006 (2)
C313	0.087 (3)	0.039 (2)	0.073 (3)	0.001 (2)	−0.029 (3)	−0.001 (2)
C310	0.076 (3)	0.043 (2)	0.068 (3)	−0.008 (2)	−0.021 (2)	−0.003 (2)
C317	0.079 (3)	0.042 (2)	0.070 (3)	−0.002 (2)	−0.020 (2)	0.002 (2)
C311	0.076 (3)	0.047 (3)	0.077 (3)	−0.005 (2)	−0.019 (2)	0.001 (2)
C315	0.073 (3)	0.042 (2)	0.085 (3)	0.003 (2)	−0.013 (3)	−0.008 (2)
C312	0.091 (3)	0.043 (2)	0.076 (3)	−0.006 (2)	−0.037 (3)	0.002 (2)
C320	0.074 (3)	0.080 (4)	0.072 (3)	0.001 (3)	0.011 (3)	−0.020 (3)
C318	0.100 (4)	0.038 (2)	0.075 (3)	−0.010 (2)	−0.015 (3)	−0.007 (2)
C329	0.088 (4)	0.065 (3)	0.094 (4)	−0.027 (3)	0.013 (3)	−0.019 (3)
C328	0.096 (4)	0.081 (4)	0.081 (4)	−0.024 (3)	0.023 (3)	−0.032 (3)
C304	0.124 (5)	0.036 (3)	0.108 (5)	0.005 (3)	−0.062 (4)	−0.009 (3)
C319	0.078 (3)	0.079 (4)	0.078 (3)	−0.005 (3)	0.009 (3)	−0.019 (3)
C332	0.110 (5)	0.130 (6)	0.070 (4)	−0.061 (4)	0.011 (3)	−0.039 (4)
C322	0.089 (4)	0.090 (4)	0.071 (3)	−0.017 (3)	0.010 (3)	−0.023 (3)
C323	0.108 (5)	0.090 (4)	0.072 (4)	−0.025 (4)	0.019 (3)	−0.029 (3)
C305	0.121 (5)	0.039 (3)	0.121 (5)	0.005 (3)	−0.072 (4)	−0.011 (3)
C333	0.112 (5)	0.121 (6)	0.072 (4)	−0.061 (4)	0.023 (3)	−0.040 (4)
I405	0.200 (3)	0.0423 (9)	0.169 (2)	0.0325 (13)	−0.126 (2)	−0.0232 (12)
Zn43	0.090 (4)	0.0449 (18)	0.087 (4)	−0.011 (2)	−0.039 (2)	0.007 (2)
I406	0.0870 (16)	0.152 (3)	0.106 (2)	−0.0290 (19)	−0.0034 (13)	0.059 (2)
I402	0.141 (3)	0.0864 (18)	0.118 (3)	−0.0591 (19)	−0.0706 (19)	0.0392 (17)
Zn41	0.153 (6)	0.0257 (17)	0.073 (3)	−0.008 (3)	−0.061 (3)	0.0063 (18)
I401	0.240 (5)	0.0469 (11)	0.0971 (19)	0.036 (2)	−0.024 (2)	0.0053 (10)
Zn42	0.122 (3)	0.0420 (15)	0.086 (3)	−0.0069 (18)	0.052 (3)	−0.0115 (16)
I403	0.155 (3)	0.0780 (16)	0.0999 (16)	0.0459 (16)	0.0481 (15)	0.0331 (11)
I404	0.117 (2)	0.0537 (11)	0.164 (3)	−0.0291 (13)	0.078 (2)	−0.0368 (16)

Geometric parameters (Å, º)

I306—Zn33	2.532 (5)	C309—C310	1.395 (6)
I304—Zn32	2.526 (6)	C302—H302	0.9500
I301—Zn31	2.520 (3)	C302—C301	1.378 (6)
I302—Zn31	2.536 (3)	C331—H331	0.9500
I303—Zn32	2.548 (5)	C331—C330	1.400 (7)
I305—Zn33	2.534 (6)	C316—C317	1.356 (6)
Zn33—N312	2.066 (6)	C316—C315	1.377 (7)
Zn33—N305^i	2.059 (8)	C324—C321	1.477 (7)
Zn31—N301	2.087 (5)	C334—C335	1.354 (7)
Zn31—N311^ii	2.094 (5)	C334—C333	1.395 (7)
Zn32—N306	2.069 (6)	C321—C320	1.384 (7)
Zn32—N307	2.065 (7)	C321—C322	1.383 (7)
N303—C306	1.323 (5)	C301—H301	0.9500
N303—C307	1.335 (5)	C335—H335	0.9500
N302—C308	1.331 (5)	C335—C336	1.374 (7)
N302—C306	1.348 (5)	C330—H330	0.9500
N304—C308	1.330 (5)	C336—H336	0.9500
N304—C307	1.348 (6)	C314—H314	0.9500
N310—C325	1.350 (6)	C314—C315	1.371 (7)
N310—C326	1.316 (5)	C313—H313	0.9500
N309—C325	1.322 (6)	C313—C312	1.381 (6)
N309—C324	1.344 (6)	C310—H310	0.9500
N312—C336	1.329 (6)	C310—C311	1.356 (7)
N312—C332	1.318 (8)	C317—H317	0.9500
N312—Zn43	2.070 (10)	C317—C318	1.375 (7)
N306—C314	1.330 (6)	C311—H311	0.9500
N306—C318	1.325 (7)	C315—H315	0.9500
N306—Zn42	2.105 (7)	C312—H312	0.9500
N308—C326	1.340 (6)	C320—H320	0.9500
N308—C324	1.328 (6)	C320—C319	1.336 (8)
N305—C311	1.341 (6)	C318—H318	0.9500
N305—C312	1.335 (6)	C329—H329	0.9500
N305—Zn43^iii	2.070 (12)	C329—C328	1.400 (8)
N301—C301	1.322 (6)	C329—Zn51^iv	2.59 (3)
N301—C305	1.351 (7)	C328—H328	0.9500
N301—Zn41	2.062 (7)	C304—H304	0.9500
N301—Zn51	2.18 (3)	C304—C305	1.364 (7)
N311—C330	1.308 (7)	C319—H319	0.9500
N311—C329	1.323 (7)	C332—H332	0.9500
N311—Zn41^iv	2.055 (8)	C332—C333	1.369 (8)
N311—Zn51^iv	2.45 (3)	C322—H322	0.9500
N307—C319	1.352 (7)	C322—C323	1.360 (9)
N307—C323	1.330 (8)	C323—H323	0.9500
N307—Zn42	2.053 (7)	C305—H305	0.9500
C308—C316	1.470 (6)	C333—H333	0.9500
C306—C303	1.483 (5)	I405—Zn43	2.526 (9)
C325—C327	1.504 (6)	Zn43—I406	2.547 (8)
C326—C334	1.485 (7)	I402—Zn41	2.552 (8)
C327—C331	1.355 (7)	Zn41—I401	2.539 (8)
C327—C328	1.380 (7)	I501—Zn51	2.40 (3)
C307—C309	1.485 (6)	I502—Zn51	2.64 (3)
C303—C302	1.359 (6)	Zn42—I403	2.538 (6)
C303—C304	1.395 (6)	Zn42—I404	2.562 (7)
C309—C313	1.359 (6)
I306—Zn33—I305	123.8 (2)	C333—C334—C326	120.3 (5)
N312—Zn33—I306	105.7 (3)	C320—C321—C324	122.5 (4)
N312—Zn33—I305	107.1 (2)	C322—C321—C324	121.2 (5)
N305^i—Zn33—I306	107.3 (3)	C322—C321—C320	116.3 (5)
N305^i—Zn33—I305	109.6 (3)	N301—C301—C302	122.6 (4)
N305^i—Zn33—N312	101.0 (3)	N301—C301—H301	118.7
I301—Zn31—I302	126.20 (14)	C302—C301—H301	118.7
N301—Zn31—I301	106.19 (18)	C334—C335—H335	119.9
N301—Zn31—I302	106.76 (19)	C334—C335—C336	120.2 (4)
N301—Zn31—N311^ii	97.2 (2)	C336—C335—H335	119.9
N311^ii—Zn31—I301	106.50 (18)	N311—C330—C331	122.1 (5)
N311^ii—Zn31—I302	110.11 (19)	N311—C330—H330	118.9
I304—Zn32—I303	122.1 (2)	C331—C330—H330	118.9
N306—Zn32—I304	109.7 (2)	N312—C336—C335	122.0 (5)
N306—Zn32—I303	108.4 (2)	N312—C336—H336	119.0
N307—Zn32—I304	103.1 (3)	C335—C336—H336	119.0
N307—Zn32—I303	108.2 (2)	N306—C314—H314	119.0
N307—Zn32—N306	103.7 (3)	N306—C314—C315	122.1 (5)
C306—N303—C307	115.7 (4)	C315—C314—H314	119.0
C308—N302—C306	115.3 (3)	C309—C313—H313	120.3
C308—N304—C307	115.6 (3)	C309—C313—C312	119.4 (4)
C326—N310—C325	114.9 (4)	C312—C313—H313	120.3
C325—N309—C324	114.8 (4)	C309—C310—H310	120.7
C336—N312—Zn33	125.7 (4)	C311—C310—C309	118.6 (4)
C336—N312—Zn43	119.3 (5)	C311—C310—H310	120.7
C332—N312—Zn33	116.2 (4)	C316—C317—H317	120.3
C332—N312—C336	118.0 (5)	C316—C317—C318	119.5 (4)
C332—N312—Zn43	122.6 (4)	C318—C317—H317	120.3
C314—N306—Zn32	115.8 (4)	N305—C311—C310	123.8 (5)
C314—N306—Zn42	122.7 (4)	N305—C311—H311	118.1
C318—N306—Zn32	127.2 (4)	C310—C311—H311	118.1
C318—N306—C314	117.0 (4)	C316—C315—H315	119.7
C318—N306—Zn42	120.3 (4)	C314—C315—C316	120.6 (5)
C324—N308—C326	114.4 (4)	C314—C315—H315	119.7
Zn33^iii—N305—Zn43^iii	7.1 (4)	N305—C312—C313	122.8 (4)
C311—N305—Zn33^iii	121.4 (4)	N305—C312—H312	118.6
C311—N305—Zn43^iii	126.7 (4)	C313—C312—H312	118.6
C312—N305—Zn33^iii	121.6 (3)	C321—C320—H320	119.9
C312—N305—C311	116.9 (4)	C319—C320—C321	120.2 (5)
C312—N305—Zn43^iii	116.2 (4)	C319—C320—H320	119.9
C301—N301—Zn31	124.7 (3)	N306—C318—C317	123.8 (4)
C301—N301—C305	117.3 (4)	N306—C318—H318	118.1
C301—N301—Zn41	121.5 (4)	C317—C318—H318	118.1
C301—N301—Zn51	102.8 (9)	N311—C329—H329	118.9
C305—N301—Zn31	117.2 (3)	N311—C329—C328	122.2 (5)
C305—N301—Zn41	121.2 (4)	N311—C329—Zn51^iv	68.9 (7)
C305—N301—Zn51	130.2 (9)	C328—C329—H329	118.9
Zn31^iv—N311—Zn51^iv	39.2 (7)	C328—C329—Zn51^iv	165.7 (8)
C330—N311—Zn31^iv	120.7 (4)	Zn51^iv—C329—H329	51.0
C330—N311—C329	119.2 (4)	C327—C328—C329	117.9 (6)
C330—N311—Zn41^iv	129.7 (4)	C327—C328—H328	121.0
C330—N311—Zn51^iv	159.4 (8)	C329—C328—H328	121.0
C329—N311—Zn31^iv	120.0 (3)	C303—C304—H304	120.7
C329—N311—Zn41^iv	111.0 (4)	C305—C304—C303	118.6 (5)
C329—N311—Zn51^iv	80.8 (8)	C305—C304—H304	120.7
Zn41^iv—N311—Zn51^iv	30.2 (7)	N307—C319—H319	117.9
C319—N307—Zn32	126.6 (4)	C320—C319—N307	124.2 (6)
C319—N307—Zn42	119.8 (5)	C320—C319—H319	117.9
C323—N307—Zn32	117.7 (4)	N312—C332—H332	118.2
C323—N307—C319	115.5 (5)	N312—C332—C333	123.5 (5)
C323—N307—Zn42	124.6 (4)	C333—C332—H332	118.2
N302—C308—C316	115.8 (4)	C321—C322—H322	120.0
N304—C308—N302	124.5 (4)	C323—C322—C321	119.9 (6)
N304—C308—C316	119.7 (4)	C323—C322—H322	120.0
N303—C306—N302	124.6 (4)	N307—C323—C322	123.9 (5)
N303—C306—C303	118.1 (4)	N307—C323—H323	118.1
N302—C306—C303	117.3 (4)	C322—C323—H323	118.1
N310—C325—C327	116.1 (4)	N301—C305—C304	123.3 (5)
N309—C325—N310	124.8 (4)	N301—C305—H305	118.4
N309—C325—C327	119.1 (4)	C304—C305—H305	118.4
N310—C326—N308	125.6 (4)	C334—C333—H333	120.9
N310—C326—C334	117.1 (4)	C332—C333—C334	118.1 (6)
N308—C326—C334	117.3 (4)	C332—C333—H333	120.9
C331—C327—C325	121.1 (4)	N312—Zn43—I405	105.2 (4)
C331—C327—C328	119.2 (4)	N312—Zn43—I406	110.7 (4)
C328—C327—C325	119.7 (5)	N305^i—Zn43—N312	100.5 (4)
N303—C307—N304	124.0 (4)	N305^i—Zn43—I405	103.7 (4)
N303—C307—C309	117.3 (4)	N305^i—Zn43—I406	111.1 (4)
N304—C307—C309	118.7 (4)	I405—Zn43—I406	123.2 (4)
C302—C303—C306	123.4 (4)	N301—Zn41—I402	100.6 (3)
C302—C303—C304	118.0 (4)	N301—Zn41—I401	112.9 (3)
C304—C303—C306	118.6 (4)	N311^ii—Zn41—N301	99.3 (3)
C313—C309—C307	122.0 (4)	N311^ii—Zn41—I402	104.0 (3)
C313—C309—C310	118.4 (4)	N311^ii—Zn41—I401	109.9 (3)
C310—C309—C307	119.6 (4)	I401—Zn41—I402	126.5 (3)
C303—C302—H302	119.9	N301—Zn51—N311^ii	85.1 (10)
C303—C302—C301	120.2 (4)	N301—Zn51—C329^ii	99.2 (11)
C301—C302—H302	119.9	N301—Zn51—I501	128.4 (14)
C327—C331—H331	120.4	N301—Zn51—I502	88.0 (10)
C327—C331—C330	119.1 (5)	N311^ii—Zn51—C329^ii	30.3 (4)
C330—C331—H331	120.4	N311^ii—Zn51—I502	78.2 (9)
C317—C316—C308	122.3 (4)	C329^ii—Zn51—I502	105.4 (11)
C317—C316—C315	117.0 (4)	I501—Zn51—I502	126.2 (13)
C315—C316—C308	120.6 (4)	N306—Zn42—I403	103.0 (3)
N309—C324—C321	117.2 (4)	N306—Zn42—I404	110.0 (3)
N308—C324—N309	125.2 (5)	N307—Zn42—N306	102.9 (3)
N308—C324—C321	117.5 (4)	N307—Zn42—I403	107.0 (3)
C335—C334—C326	121.7 (4)	N307—Zn42—I404	110.1 (3)
C335—C334—C333	118.0 (5)	I403—Zn42—I404	122.1 (3)
Zn33—N312—C336—C335	−177.0 (5)	C327—C331—C330—N311	0.2 (7)
Zn33—N312—C332—C333	174.5 (7)	C307—N303—C306—N302	−1.2 (7)
Zn33^iii—N305—C311—C310	−178.7 (5)	C307—N303—C306—C303	−179.0 (4)
Zn33^iii—N305—C312—C313	179.3 (5)	C307—N304—C308—N302	−2.5 (7)
Zn31—N301—C301—C302	169.7 (4)	C307—N304—C308—C316	176.2 (4)
Zn31—N301—C305—C304	−171.9 (7)	C307—C309—C313—C312	−178.6 (5)
Zn31^iv—N311—C330—C331	173.6 (4)	C307—C309—C310—C311	179.1 (5)
Zn31^iv—N311—C329—C328	−171.1 (5)	C303—C302—C301—N301	0.9 (8)
Zn32—N306—C314—C315	−178.7 (5)	C303—C304—C305—N301	1.8 (13)
Zn32—N306—C318—C317	−179.9 (5)	C309—C313—C312—N305	−0.2 (10)
Zn32—N307—C319—C320	−174.7 (5)	C309—C310—C311—N305	−0.9 (9)
Zn32—N307—C323—C322	175.7 (6)	C302—C303—C304—C305	−0.8 (11)
N303—C306—C303—C302	−3.1 (7)	C331—C327—C328—C329	2.7 (9)
N303—C306—C303—C304	177.9 (6)	C316—C317—C318—N306	−1.3 (10)
N303—C307—C309—C313	179.0 (5)	C324—N309—C325—N310	−2.6 (6)
N303—C307—C309—C310	−0.9 (7)	C324—N309—C325—C327	175.5 (4)
N302—C308—C316—C317	170.8 (5)	C324—N308—C326—N310	−1.4 (6)
N302—C308—C316—C315	−8.8 (7)	C324—N308—C326—C334	−179.9 (4)
N302—C306—C303—C302	179.0 (5)	C324—C321—C320—C319	−179.6 (5)
N302—C306—C303—C304	−0.1 (7)	C324—C321—C322—C323	−179.9 (6)
N304—C308—C316—C317	−8.0 (7)	C334—C335—C336—N312	1.3 (8)
N304—C308—C316—C315	172.3 (5)	C321—C320—C319—N307	0.6 (10)
N304—C307—C309—C313	−1.8 (7)	C321—C322—C323—N307	−1.6 (11)
N304—C307—C309—C310	178.3 (5)	C301—N301—C305—C304	−1.3 (12)
N310—C325—C327—C331	11.5 (6)	C335—C334—C333—C332	−0.6 (11)
N310—C325—C327—C328	−167.4 (5)	C330—N311—C329—C328	5.0 (9)
N310—C326—C334—C335	21.4 (6)	C330—N311—C329—Zn51^iv	174.8 (8)
N310—C326—C334—C333	−156.0 (6)	C336—N312—C332—C333	−4.5 (11)
N309—C325—C327—C331	−166.8 (4)	C314—N306—C318—C317	−0.7 (9)
N309—C325—C327—C328	14.3 (7)	C313—C309—C310—C311	−0.8 (8)
N309—C324—C321—C320	−22.2 (7)	C310—C309—C313—C312	1.3 (9)
N309—C324—C321—C322	159.6 (5)	C317—C316—C315—C314	−0.6 (8)
N312—C332—C333—C334	3.9 (13)	C311—N305—C312—C313	−1.4 (9)
N306—C314—C315—C316	−1.4 (9)	C315—C316—C317—C318	1.9 (8)
N308—C326—C334—C335	−159.9 (4)	C312—N305—C311—C310	2.0 (9)
N308—C326—C334—C333	22.7 (7)	C320—C321—C322—C323	1.8 (9)
N308—C324—C321—C320	159.4 (5)	C318—N306—C314—C315	2.1 (9)
N308—C324—C321—C322	−18.8 (7)	C329—N311—C330—C331	−2.5 (7)
N311—C329—C328—C327	−5.1 (10)	C328—C327—C331—C330	−0.4 (7)
C308—N302—C306—N303	−2.7 (7)	C304—C303—C302—C301	−0.5 (8)
C308—N302—C306—C303	175.2 (4)	C319—N307—C323—C322	0.8 (10)
C308—N304—C307—N303	−2.0 (7)	C332—N312—C336—C335	1.8 (8)
C308—N304—C307—C309	178.9 (4)	C322—C321—C320—C319	−1.3 (9)
C308—C316—C317—C318	−177.7 (5)	C323—N307—C319—C320	−0.2 (9)
C308—C316—C315—C314	179.0 (5)	C305—N301—C301—C302	0.0 (9)
C306—N303—C307—N304	3.6 (7)	C333—C334—C335—C336	−1.9 (8)
C306—N303—C307—C309	−177.2 (4)	Zn43—N312—C336—C335	179.3 (5)
C306—N302—C308—N304	4.6 (7)	Zn43—N312—C332—C333	178.2 (8)
C306—N302—C308—C316	−174.1 (4)	Zn43^iii—N305—C311—C310	−172.9 (5)
C306—C303—C302—C301	−179.5 (5)	Zn43^iii—N305—C312—C313	174.0 (6)
C306—C303—C304—C305	178.3 (7)	Zn41—N301—C301—C302	179.9 (5)
C325—N310—C326—N308	−3.6 (6)	Zn41—N301—C305—C304	178.7 (7)
C325—N310—C326—C334	174.9 (4)	Zn41^iv—N311—C330—C331	174.1 (4)
C325—N309—C324—N308	−3.2 (6)	Zn41^iv—N311—C329—C328	−172.2 (6)
C325—N309—C324—C321	178.5 (4)	Zn51—N301—C301—C302	−149.7 (9)
C325—C327—C331—C330	−179.3 (4)	Zn51—N301—C305—C304	138.5 (13)
C325—C327—C328—C329	−178.4 (5)	Zn51^iv—N311—C330—C331	163 (2)
C326—N310—C325—N309	5.7 (6)	Zn51^iv—N311—C329—C328	−169.8 (10)
C326—N310—C325—C327	−172.4 (4)	Zn51^iv—C329—C328—C327	−143 (3)
C326—N308—C324—N309	5.1 (6)	Zn42—N306—C314—C315	−179.2 (5)
C326—N308—C324—C321	−176.7 (4)	Zn42—N306—C318—C317	−179.5 (5)
C326—C334—C335—C336	−179.3 (5)	Zn42—N307—C319—C320	−177.2 (5)
C326—C334—C333—C332	176.9 (7)	Zn42—N307—C323—C322	177.6 (6)

Symmetry codes: (i) x+1/2, y−1/2, z; (ii) x, −y+1, z+1/2; (iii) x−1/2, y+1/2, z; (iv) x, −y+1, z−1/2.

catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc (4_mbp_4_10_96c)

Crystal data

C36H24I6N12Zn3	F(000) = 5856
Mr = 1582.18	Dx = 1.288 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 35.3704 (5) Å	Cell parameters from 17533 reflections
b = 14.9099 (2) Å	θ = 2.6–69.2°
c = 31.7401 (4) Å	µ = 19.03 mm^−1
β = 102.780 (1)°	T = 100 K
V = 16324.1 (4) Å^3	Block, colourless
Z = 8	0.29 × 0.17 × 0.08 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	14777 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	12540 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.033
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −42→41
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −17→14
Tmin = 0.084, Tmax = 0.336	l = −38→36
64990 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.044	H-atom parameters constrained
wR(F^2) = 0.139	w = 1/[σ^2(Fo^2) + (0.0811P)^2 + 19.7653P] where P = (Fo^2 + 2Fc^2)/3
S = 1.12	(Δ/σ)max = 0.003
14777 reflections	Δρmax = 1.06 e Å^−3
614 parameters	Δρmin = −0.67 e Å^−3
25 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. No guests or solvent were identified from the electron density map, SQUEEZE has been applied to address the residual electron density within the pore. SQUEEZE analysis indicated one void with a volume of 1005 Ang**3 and an electron count of 301. This is equivalent to 6.27 cyclohexane molecules or 2.89 4-methylbenzophenone molecules.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I304	0.26902 (9)	0.26252 (19)	0.70194 (7)	0.0668 (5)	0.551 (11)
I306	0.64263 (15)	0.5956 (5)	0.49431 (14)	0.0735 (6)	0.5057
I301	0.38561 (4)	1.23738 (10)	0.93617 (5)	0.0666 (2)	0.6488
I302	0.47874 (5)	1.13604 (13)	0.87141 (4)	0.0675 (3)	0.6488
I303	0.37592 (8)	0.33218 (16)	0.79875 (6)	0.0691 (5)	0.551 (11)
I305	0.59955 (6)	0.73311 (17)	0.60047 (7)	0.0713 (5)	0.5057
Zn33	0.62213 (11)	0.5943 (3)	0.56607 (12)	0.0547 (14)	0.5057
Zn31	0.42029 (7)	1.1154 (2)	0.90478 (10)	0.0466 (4)	0.6488
Zn32	0.32871 (13)	0.3576 (3)	0.72638 (13)	0.0560 (8)	0.551 (11)
N303	0.27762 (9)	0.9465 (2)	0.72987 (10)	0.0447 (7)
N309	0.42268 (10)	0.2231 (2)	0.56213 (11)	0.0518 (8)
N302	0.31620 (9)	0.8174 (2)	0.75242 (11)	0.0460 (7)
N310	0.47407 (10)	0.2718 (2)	0.53081 (11)	0.0499 (8)
N304	0.26224 (10)	0.8072 (2)	0.69356 (11)	0.0470 (8)
N312	0.57764 (11)	0.5048 (2)	0.56206 (12)	0.0574 (9)
N308	0.46045 (10)	0.3495 (2)	0.59021 (11)	0.0527 (8)
N307	0.35886 (13)	0.3385 (3)	0.67795 (13)	0.0640 (10)
N306	0.31401 (12)	0.4917 (2)	0.72134 (12)	0.0577 (9)
N305	0.16561 (11)	1.0286 (2)	0.61035 (12)	0.0572 (9)
N311	0.43103 (12)	−0.0123 (3)	0.45087 (12)	0.0599 (10)
N301	0.37854 (12)	1.0489 (2)	0.85903 (12)	0.0598 (10)
C326	0.48084 (12)	0.3359 (3)	0.55994 (13)	0.0491 (9)
C308	0.29214 (11)	0.7721 (3)	0.72190 (13)	0.0445 (8)
C306	0.30709 (12)	0.9044 (3)	0.75580 (13)	0.0454 (9)
C303	0.33106 (12)	0.9563 (3)	0.79135 (13)	0.0477 (9)
C324	0.43084 (12)	0.2927 (3)	0.58875 (13)	0.0498 (9)
C325	0.44543 (12)	0.2144 (3)	0.53413 (12)	0.0483 (9)
C302	0.32509 (13)	1.0454 (3)	0.79820 (13)	0.0509 (10)
H302	0.304678	1.076975	0.779598	0.061*
C316	0.29954 (12)	0.6747 (3)	0.72056 (13)	0.0488 (9)
C309	0.22449 (12)	0.9405 (3)	0.66767 (13)	0.0475 (9)
C334	0.51436 (13)	0.3954 (3)	0.56027 (14)	0.0531 (10)
C307	0.25642 (11)	0.8949 (3)	0.69854 (13)	0.0449 (9)
C321	0.40597 (13)	0.3081 (3)	0.61954 (14)	0.0556 (10)
C327	0.44069 (13)	0.1344 (3)	0.50518 (13)	0.0510 (10)
C331	0.46785 (13)	0.1118 (3)	0.48250 (14)	0.0562 (11)
H331	0.490760	0.146691	0.485390	0.067*
C301	0.34896 (13)	1.0889 (3)	0.83230 (14)	0.0529 (10)
H301	0.344099	1.150354	0.836977	0.064*
C330	0.46211 (14)	0.0382 (3)	0.45531 (15)	0.0581 (11)
H330	0.481133	0.023771	0.439439	0.070*
C310	0.21736 (14)	1.0308 (3)	0.67289 (15)	0.0615 (12)
H310	0.232633	1.063989	0.696070	0.074*
C313	0.20134 (15)	0.8957 (3)	0.63405 (16)	0.0663 (14)
H313	0.205298	0.833620	0.629779	0.080*
C335	0.52936 (14)	0.4054 (3)	0.52464 (15)	0.0620 (12)
H335	0.518304	0.374211	0.498751	0.074*
C336	0.56046 (14)	0.4608 (4)	0.52634 (16)	0.0631 (12)
H336	0.570267	0.468232	0.501012	0.076*
C314	0.33902 (16)	0.5479 (3)	0.74555 (18)	0.0690 (13)
H314	0.362262	0.524432	0.762929	0.083*
C312	0.17227 (16)	0.9414 (3)	0.60651 (17)	0.0733 (15)
H312	0.156118	0.909205	0.583579	0.088*
C311	0.18779 (14)	1.0710 (3)	0.64383 (17)	0.0671 (14)
H311	0.182801	1.132679	0.647786	0.080*
C317	0.27451 (15)	0.6174 (3)	0.69517 (16)	0.0637 (13)
H317	0.251498	0.639550	0.676766	0.076*
C320	0.36914 (16)	0.2744 (4)	0.61264 (18)	0.0707 (13)
H320	0.359020	0.240191	0.587426	0.085*
C315	0.33249 (15)	0.6379 (3)	0.74630 (17)	0.0668 (13)
H315	0.350714	0.675517	0.764631	0.080*
C318	0.28267 (16)	0.5274 (3)	0.69627 (16)	0.0666 (13)
H318	0.264908	0.488628	0.678075	0.080*
C329	0.40520 (18)	0.0065 (4)	0.47344 (19)	0.0782 (15)
H329	0.383598	−0.032455	0.471218	0.094*
C319	0.34688 (17)	0.2900 (4)	0.64208 (18)	0.0732 (14)
H319	0.321559	0.265027	0.636723	0.088*
C323	0.39450 (19)	0.3724 (5)	0.68448 (19)	0.0847 (17)
H323	0.403774	0.407142	0.709757	0.102*
C304	0.36140 (19)	0.9133 (3)	0.8201 (2)	0.096 (2)
H304	0.366141	0.851133	0.817386	0.115*
C328	0.40786 (17)	0.0815 (4)	0.50079 (19)	0.0763 (15)
H328	0.388018	0.095228	0.515617	0.092*
C322	0.41857 (18)	0.3595 (4)	0.65632 (17)	0.0781 (15)
H322	0.443667	0.385755	0.662084	0.094*
C332	0.56375 (19)	0.4923 (5)	0.59681 (18)	0.094 (2)
H332	0.576391	0.520986	0.622846	0.113*
C305	0.38402 (19)	0.9631 (3)	0.8522 (2)	0.099 (2)
H305	0.405119	0.933838	0.870909	0.119*
C333	0.5321 (2)	0.4402 (5)	0.59739 (19)	0.093 (2)
H333	0.522488	0.434899	0.622955	0.111*
I405	0.61107 (8)	0.7353 (2)	0.59893 (13)	0.0911 (9)	0.4084
Zn43	0.62408 (15)	0.5897 (3)	0.56502 (16)	0.065 (2)	0.4084
I406	0.6414 (2)	0.5799 (7)	0.4923 (2)	0.090 (2)	0.4084
I401	0.37550 (13)	1.2302 (2)	0.94445 (13)	0.1359 (17)	0.3186
Zn41	0.41296 (19)	1.1180 (4)	0.9098 (2)	0.094 (2)	0.3186
I402	0.47135 (11)	1.1506 (3)	0.87744 (11)	0.1268 (15)	0.3186
I505	0.62485 (18)	0.7417 (4)	0.57758 (17)	0.080*	0.0859
Zn53	0.6287 (6)	0.5824 (10)	0.5523 (5)	0.080*	0.0859
I506	0.6477 (3)	0.5480 (6)	0.4807 (3)	0.080*	0.0859
I502	0.4447 (4)	1.2005 (9)	0.9080 (4)	0.080*	0.0326
I501	0.3288 (4)	1.1941 (9)	0.9441 (4)	0.080*	0.0326
Zn51	0.3817 (9)	1.121 (2)	0.9187 (9)	0.080*	0.0326
I403	0.3638 (3)	0.3219 (3)	0.79569 (14)	0.1025 (11)	0.449 (11)
Zn42	0.3231 (2)	0.3517 (4)	0.7206 (2)	0.0743 (15)	0.449 (11)
I404	0.2582 (2)	0.2713 (3)	0.6915 (3)	0.0976 (13)	0.449 (11)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I304	0.0852 (10)	0.0394 (5)	0.0798 (9)	−0.0143 (6)	0.0269 (6)	−0.0142 (4)
I306	0.0691 (11)	0.087 (2)	0.0598 (10)	−0.0053 (13)	0.0037 (8)	0.0258 (8)
I301	0.0870 (4)	0.0394 (4)	0.0644 (5)	0.0079 (3)	−0.0023 (3)	−0.0022 (3)
I302	0.0724 (4)	0.0731 (6)	0.0545 (3)	−0.0283 (4)	0.0087 (3)	−0.0015 (4)
I303	0.1017 (10)	0.0483 (5)	0.0518 (7)	0.0079 (6)	0.0051 (6)	0.0038 (5)
I305	0.0773 (13)	0.0411 (5)	0.0790 (6)	0.0135 (7)	−0.0179 (6)	−0.0028 (4)
Zn33	0.0580 (19)	0.048 (2)	0.0539 (19)	−0.0013 (13)	0.0030 (13)	0.0107 (13)
Zn31	0.0536 (6)	0.0369 (9)	0.0414 (7)	−0.0083 (5)	−0.0066 (5)	0.0026 (5)
Zn32	0.0819 (13)	0.0267 (13)	0.0546 (10)	0.0052 (9)	0.0050 (10)	−0.0018 (8)
N303	0.0487 (17)	0.0271 (15)	0.0506 (17)	−0.0049 (13)	−0.0052 (14)	0.0047 (13)
N309	0.0536 (19)	0.0399 (19)	0.0534 (19)	−0.0019 (15)	−0.0063 (15)	−0.0037 (15)
N302	0.0513 (18)	0.0261 (15)	0.0530 (18)	−0.0033 (13)	−0.0048 (14)	0.0029 (13)
N310	0.0538 (19)	0.0435 (19)	0.0467 (17)	−0.0024 (15)	−0.0013 (14)	−0.0060 (15)
N304	0.0530 (18)	0.0260 (16)	0.0558 (18)	−0.0050 (14)	−0.0012 (15)	0.0009 (14)
N312	0.058 (2)	0.040 (2)	0.063 (2)	−0.0039 (16)	−0.0096 (17)	−0.0006 (16)
N308	0.0540 (19)	0.0440 (19)	0.0515 (19)	0.0015 (16)	−0.0064 (15)	−0.0061 (15)
N307	0.086 (3)	0.044 (2)	0.061 (2)	−0.001 (2)	0.016 (2)	−0.0048 (18)
N306	0.075 (2)	0.0322 (18)	0.065 (2)	0.0022 (17)	0.0126 (19)	−0.0019 (16)
N305	0.060 (2)	0.0379 (19)	0.061 (2)	−0.0131 (16)	−0.0139 (16)	0.0055 (16)
N311	0.069 (2)	0.046 (2)	0.054 (2)	0.0047 (18)	−0.0094 (17)	−0.0037 (17)
N301	0.080 (2)	0.0274 (17)	0.057 (2)	−0.0070 (16)	−0.0181 (18)	0.0070 (15)
C326	0.054 (2)	0.040 (2)	0.045 (2)	0.0024 (17)	−0.0066 (17)	−0.0016 (17)
C308	0.046 (2)	0.031 (2)	0.051 (2)	−0.0038 (15)	−0.0014 (16)	0.0018 (16)
C306	0.052 (2)	0.0301 (19)	0.049 (2)	−0.0074 (16)	0.0017 (17)	0.0026 (16)
C303	0.055 (2)	0.0295 (19)	0.050 (2)	−0.0045 (16)	−0.0070 (17)	0.0039 (16)
C324	0.055 (2)	0.041 (2)	0.046 (2)	0.0021 (18)	−0.0034 (17)	−0.0032 (17)
C325	0.056 (2)	0.040 (2)	0.0415 (19)	−0.0009 (18)	−0.0050 (17)	−0.0025 (17)
C302	0.060 (2)	0.034 (2)	0.052 (2)	0.0000 (18)	−0.0043 (18)	−0.0002 (17)
C316	0.059 (2)	0.030 (2)	0.054 (2)	−0.0016 (17)	0.0054 (18)	0.0027 (17)
C309	0.053 (2)	0.033 (2)	0.050 (2)	−0.0067 (17)	−0.0034 (17)	0.0082 (16)
C334	0.054 (2)	0.047 (2)	0.050 (2)	0.0042 (19)	−0.0045 (18)	−0.0100 (18)
C307	0.049 (2)	0.0310 (19)	0.049 (2)	−0.0051 (16)	−0.0007 (16)	0.0003 (16)
C321	0.063 (3)	0.041 (2)	0.056 (2)	−0.0018 (19)	−0.0010 (19)	−0.0048 (19)
C327	0.063 (2)	0.035 (2)	0.046 (2)	−0.0065 (18)	−0.0075 (18)	−0.0034 (17)
C331	0.053 (2)	0.047 (2)	0.058 (2)	0.0023 (19)	−0.0109 (19)	−0.010 (2)
C301	0.068 (3)	0.032 (2)	0.052 (2)	0.0029 (18)	−0.0035 (19)	0.0015 (17)
C330	0.061 (3)	0.044 (2)	0.060 (2)	0.009 (2)	−0.007 (2)	−0.001 (2)
C310	0.065 (3)	0.040 (2)	0.064 (3)	−0.007 (2)	−0.018 (2)	0.000 (2)
C313	0.076 (3)	0.035 (2)	0.067 (3)	−0.002 (2)	−0.027 (2)	0.001 (2)
C335	0.066 (3)	0.057 (3)	0.056 (2)	−0.007 (2)	−0.002 (2)	−0.012 (2)
C336	0.065 (3)	0.061 (3)	0.058 (2)	−0.012 (2)	0.002 (2)	−0.006 (2)
C314	0.075 (3)	0.039 (2)	0.081 (3)	0.006 (2)	−0.009 (2)	−0.010 (2)
C312	0.083 (3)	0.038 (2)	0.075 (3)	−0.007 (2)	−0.034 (3)	0.001 (2)
C311	0.068 (3)	0.037 (2)	0.079 (3)	−0.003 (2)	−0.021 (2)	−0.004 (2)
C317	0.070 (3)	0.035 (2)	0.069 (3)	−0.006 (2)	−0.020 (2)	0.005 (2)
C320	0.068 (3)	0.071 (3)	0.071 (3)	−0.004 (3)	0.012 (2)	−0.020 (3)
C315	0.066 (3)	0.041 (3)	0.080 (3)	0.005 (2)	−0.013 (2)	−0.008 (2)
C318	0.082 (3)	0.034 (2)	0.073 (3)	−0.011 (2)	−0.007 (2)	−0.009 (2)
C329	0.082 (4)	0.065 (3)	0.086 (4)	−0.029 (3)	0.015 (3)	−0.020 (3)
C319	0.074 (3)	0.069 (3)	0.075 (3)	−0.004 (3)	0.013 (3)	−0.016 (3)
C323	0.096 (4)	0.089 (4)	0.070 (3)	−0.029 (3)	0.019 (3)	−0.029 (3)
C304	0.119 (5)	0.025 (2)	0.105 (4)	0.003 (3)	−0.060 (4)	−0.011 (2)
C328	0.083 (3)	0.068 (3)	0.081 (3)	−0.023 (3)	0.024 (3)	−0.026 (3)
C322	0.084 (4)	0.084 (4)	0.065 (3)	−0.020 (3)	0.013 (3)	−0.022 (3)
C332	0.100 (4)	0.118 (6)	0.061 (3)	−0.054 (4)	0.013 (3)	−0.032 (3)
C305	0.113 (4)	0.031 (2)	0.109 (4)	0.002 (3)	−0.067 (4)	−0.011 (3)
C333	0.106 (4)	0.107 (5)	0.066 (3)	−0.055 (4)	0.021 (3)	−0.033 (3)
I405	0.0660 (15)	0.0391 (6)	0.1430 (15)	0.0106 (8)	−0.0310 (10)	0.0058 (7)
Zn43	0.059 (3)	0.028 (2)	0.079 (3)	−0.0117 (15)	−0.047 (2)	0.0131 (17)
I406	0.0827 (18)	0.092 (3)	0.081 (2)	−0.0228 (14)	−0.0100 (12)	0.0345 (16)
I401	0.242 (4)	0.0386 (10)	0.0983 (19)	0.038 (2)	−0.025 (2)	0.0027 (10)
Zn41	0.152 (5)	0.0193 (16)	0.072 (3)	−0.009 (3)	−0.057 (3)	0.0068 (18)
I402	0.131 (3)	0.0853 (19)	0.119 (2)	−0.0623 (19)	−0.0682 (17)	0.0427 (17)
I403	0.145 (3)	0.0718 (15)	0.1019 (15)	0.0481 (15)	0.0519 (14)	0.0378 (11)
Zn42	0.119 (3)	0.0346 (15)	0.085 (3)	−0.0108 (17)	0.058 (3)	−0.0145 (15)
I404	0.105 (2)	0.0477 (11)	0.162 (3)	−0.0296 (13)	0.077 (2)	−0.0386 (16)

Geometric parameters (Å, º)

I304—Zn32	2.519 (5)	C316—C315	1.381 (6)
I306—Zn33	2.539 (4)	C309—C307	1.486 (5)
I301—Zn31	2.519 (3)	C309—C310	1.386 (6)
I302—Zn31	2.541 (2)	C309—C313	1.367 (6)
I303—Zn32	2.552 (4)	C334—C335	1.359 (7)
I305—Zn33	2.549 (5)	C334—C333	1.379 (7)
Zn33—N312	2.046 (5)	C321—C320	1.368 (7)
Zn33—N305^i	2.084 (5)	C321—C322	1.385 (7)
Zn31—N311^ii	2.098 (5)	C327—C331	1.364 (7)
Zn31—N301	2.079 (5)	C327—C328	1.386 (7)
Zn32—N307	2.075 (6)	C331—H331	0.9500
Zn32—N306	2.063 (5)	C331—C330	1.383 (6)
N303—C306	1.334 (5)	C301—H301	0.9500
N303—C307	1.346 (5)	C330—H330	0.9500
N309—C324	1.329 (5)	C310—H310	0.9500
N309—C325	1.330 (6)	C310—C311	1.370 (6)
N302—C308	1.324 (5)	C313—H313	0.9500
N302—C306	1.346 (5)	C313—C312	1.374 (6)
N310—C326	1.315 (5)	C335—H335	0.9500
N310—C325	1.347 (6)	C335—C336	1.367 (7)
N304—C308	1.334 (5)	C336—H336	0.9500
N304—C307	1.339 (5)	C314—H314	0.9500
N312—C336	1.334 (6)	C314—C315	1.362 (7)
N312—C332	1.316 (7)	C312—H312	0.9500
N312—Zn43	2.059 (6)	C311—H311	0.9500
N312—Zn53	2.22 (2)	C317—H317	0.9500
N308—C326	1.338 (6)	C317—C318	1.371 (7)
N308—C324	1.340 (6)	C320—H320	0.9500
N307—C319	1.336 (7)	C320—C319	1.368 (7)
N307—C323	1.331 (7)	C315—H315	0.9500
N307—Zn42	2.057 (7)	C318—H318	0.9500
N306—C314	1.332 (6)	C329—H329	0.9500
N306—C318	1.325 (6)	C329—C328	1.405 (7)
N306—Zn42	2.113 (7)	C329—Zn51^iv	2.59 (3)
N305—C312	1.331 (6)	C319—H319	0.9500
N305—C311	1.333 (6)	C323—H323	0.9500
N305—Zn43^iii	2.030 (6)	C323—C322	1.378 (8)
N305—Zn53^iii	2.163 (17)	C304—H304	0.9500
N311—C330	1.314 (6)	C304—C305	1.366 (6)
N311—C329	1.310 (7)	C328—H328	0.9500
N311—Zn41^iv	2.056 (7)	C322—H322	0.9500
N311—Zn51^iv	2.44 (3)	C332—H332	0.9500
N301—C301	1.334 (5)	C332—C333	1.366 (8)
N301—C305	1.319 (6)	C305—H305	0.9500
N301—Zn41	2.066 (7)	C333—H333	0.9500
N301—Zn51	2.16 (3)	I405—Zn43	2.511 (6)
C326—C334	1.479 (6)	Zn43—I406	2.519 (7)
C308—C316	1.478 (5)	I401—Zn41	2.533 (7)
C306—C303	1.472 (5)	Zn41—I402	2.548 (7)
C303—C302	1.371 (6)	I505—Zn53	2.521 (13)
C303—C304	1.401 (6)	Zn53—I506	2.559 (14)
C324—C321	1.470 (6)	I502—Zn51	2.61 (3)
C325—C327	1.492 (6)	I501—Zn51	2.45 (3)
C302—H302	0.9500	I403—Zn42	2.534 (6)
C302—C301	1.378 (6)	Zn42—I404	2.574 (6)
C316—C317	1.360 (6)
I306—Zn33—I305	123.8 (2)	C327—C331—C330	120.2 (4)
N312—Zn33—I306	108.5 (3)	C330—C331—H331	119.9
N312—Zn33—I305	104.3 (2)	N301—C301—C302	123.2 (4)
N312—Zn33—N305^i	100.2 (2)	N301—C301—H301	118.4
N305^i—Zn33—I306	107.1 (2)	C302—C301—H301	118.4
N305^i—Zn33—I305	110.32 (19)	N311—C330—C331	121.7 (5)
I301—Zn31—I302	126.11 (13)	N311—C330—H330	119.2
N311^ii—Zn31—I301	106.39 (16)	C331—C330—H330	119.2
N311^ii—Zn31—I302	109.94 (17)	C309—C310—H310	120.8
N301—Zn31—I301	106.73 (16)	C311—C310—C309	118.5 (4)
N301—Zn31—I302	106.52 (17)	C311—C310—H310	120.8
N301—Zn31—N311^ii	97.38 (18)	C309—C313—H313	120.4
I304—Zn32—I303	122.03 (18)	C309—C313—C312	119.3 (4)
N307—Zn32—I304	103.2 (2)	C312—C313—H313	120.4
N307—Zn32—I303	107.8 (2)	C334—C335—H335	120.3
N306—Zn32—I304	110.0 (2)	C334—C335—C336	119.5 (4)
N306—Zn32—I303	108.5 (2)	C336—C335—H335	120.3
N306—Zn32—N307	103.7 (2)	N312—C336—C335	122.8 (5)
C306—N303—C307	114.8 (3)	N312—C336—H336	118.6
C324—N309—C325	115.0 (4)	C335—C336—H336	118.6
C308—N302—C306	115.0 (3)	N306—C314—H314	118.8
C326—N310—C325	115.4 (4)	N306—C314—C315	122.4 (5)
C308—N304—C307	115.0 (3)	C315—C314—H314	118.8
C336—N312—Zn33	125.0 (4)	N305—C312—C313	123.3 (4)
C336—N312—Zn43	123.3 (4)	N305—C312—H312	118.4
C336—N312—Zn53	111.6 (5)	C313—C312—H312	118.4
C332—N312—Zn33	117.7 (3)	N305—C311—C310	123.8 (4)
C332—N312—C336	117.3 (4)	N305—C311—H311	118.1
C332—N312—Zn43	119.4 (4)	C310—C311—H311	118.1
C332—N312—Zn53	131.0 (5)	C316—C317—H317	120.2
C326—N308—C324	114.9 (4)	C316—C317—C318	119.6 (4)
C319—N307—Zn32	126.0 (4)	C318—C317—H317	120.2
C319—N307—Zn42	119.2 (4)	C321—C320—H320	120.0
C323—N307—Zn32	117.2 (4)	C321—C320—C319	120.0 (5)
C323—N307—C319	116.7 (5)	C319—C320—H320	120.0
C323—N307—Zn42	124.0 (4)	C316—C315—H315	119.8
C314—N306—Zn32	116.2 (3)	C314—C315—C316	120.4 (4)
C314—N306—Zn42	123.0 (4)	C314—C315—H315	119.8
C318—N306—Zn32	126.8 (3)	N306—C318—C317	123.5 (4)
C318—N306—C314	117.0 (4)	N306—C318—H318	118.2
C318—N306—Zn42	120.0 (4)	C317—C318—H318	118.2
Zn33^iii—N305—Zn53^iii	15.2 (4)	N311—C329—H329	118.4
C312—N305—Zn33^iii	121.1 (3)	N311—C329—C328	123.2 (5)
C312—N305—C311	116.8 (4)	N311—C329—Zn51^iv	68.6 (7)
C312—N305—Zn43^iii	119.2 (3)	C328—C329—H329	118.4
C312—N305—Zn53^iii	111.7 (4)	C328—C329—Zn51^iv	165.3 (8)
C311—N305—Zn33^iii	122.1 (3)	Zn51^iv—C329—H329	50.6
C311—N305—Zn43^iii	123.9 (3)	N307—C319—C320	123.5 (5)
C311—N305—Zn53^iii	129.9 (5)	N307—C319—H319	118.3
Zn31^iv—N311—Zn51^iv	38.5 (7)	C320—C319—H319	118.3
C330—N311—Zn31^iv	120.8 (4)	N307—C323—H323	118.5
C330—N311—Zn41^iv	130.0 (4)	N307—C323—C322	123.1 (5)
C330—N311—Zn51^iv	158.7 (7)	C322—C323—H323	118.5
C329—N311—Zn31^iv	119.8 (3)	C303—C304—H304	120.8
C329—N311—C330	119.2 (4)	C305—C304—C303	118.4 (4)
C329—N311—Zn41^iv	110.8 (4)	C305—C304—H304	120.8
C329—N311—Zn51^iv	81.4 (7)	C327—C328—C329	117.1 (5)
Zn41^iv—N311—Zn51^iv	29.5 (6)	C327—C328—H328	121.4
C301—N301—Zn31	124.5 (3)	C329—C328—H328	121.4
C301—N301—Zn41	121.1 (3)	C321—C322—H322	120.2
C301—N301—Zn51	102.4 (8)	C323—C322—C321	119.6 (5)
C305—N301—Zn31	118.0 (3)	C323—C322—H322	120.2
C305—N301—C301	116.9 (4)	N312—C332—H332	118.3
C305—N301—Zn41	121.9 (4)	N312—C332—C333	123.4 (5)
C305—N301—Zn51	130.3 (9)	C333—C332—H332	118.3
N310—C326—N308	124.9 (4)	N301—C305—C304	124.4 (5)
N310—C326—C334	117.5 (4)	N301—C305—H305	117.8
N308—C326—C334	117.6 (4)	C304—C305—H305	117.8
N302—C308—N304	125.4 (4)	C334—C333—H333	120.5
N302—C308—C316	115.6 (3)	C332—C333—C334	118.9 (5)
N304—C308—C316	119.0 (3)	C332—C333—H333	120.5
N303—C306—N302	124.9 (4)	N312—Zn43—I405	109.3 (3)
N303—C306—C303	117.7 (3)	N312—Zn43—I406	106.0 (3)
N302—C306—C303	117.4 (3)	N305^i—Zn43—N312	101.6 (3)
C302—C303—C306	123.3 (4)	N305^i—Zn43—I405	104.9 (2)
C302—C303—C304	117.5 (4)	N305^i—Zn43—I406	109.8 (4)
C304—C303—C306	119.2 (4)	I405—Zn43—I406	123.2 (3)
N309—C324—N308	125.0 (4)	N311^ii—Zn41—N301	99.1 (3)
N309—C324—C321	117.9 (4)	N311^ii—Zn41—I401	110.5 (3)
N308—C324—C321	117.1 (4)	N311^ii—Zn41—I402	103.7 (3)
N309—C325—N310	124.5 (4)	N301—Zn41—I401	113.2 (3)
N309—C325—C327	119.1 (4)	N301—Zn41—I402	99.9 (3)
N310—C325—C327	116.3 (4)	I401—Zn41—I402	126.7 (3)
C303—C302—H302	120.3	N312—Zn53—I505	110.1 (7)
C303—C302—C301	119.4 (4)	N312—Zn53—I506	113.6 (6)
C301—C302—H302	120.3	N305^i—Zn53—N312	92.5 (6)
C317—C316—C308	122.6 (4)	N305^i—Zn53—I505	98.2 (5)
C317—C316—C315	117.0 (4)	N305^i—Zn53—I506	117.1 (8)
C315—C316—C308	120.4 (4)	I505—Zn53—I506	121.0 (7)
C310—C309—C307	119.8 (4)	N311^ii—Zn51—C329^ii	30.0 (4)
C313—C309—C307	121.9 (4)	N311^ii—Zn51—I502	78.6 (9)
C313—C309—C310	118.3 (4)	N311^ii—Zn51—I501	133.4 (12)
C335—C334—C326	121.3 (4)	N301—Zn51—N311^ii	85.8 (10)
C335—C334—C333	118.0 (5)	N301—Zn51—C329^ii	99.6 (11)
C333—C334—C326	120.6 (4)	N301—Zn51—I502	89.5 (10)
N303—C307—C309	116.4 (3)	N301—Zn51—I501	127.9 (14)
N304—C307—N303	124.7 (4)	C329^ii—Zn51—I502	105.3 (11)
N304—C307—C309	118.9 (3)	I501—Zn51—I502	125.4 (13)
C320—C321—C324	121.6 (4)	N307—Zn42—N306	102.6 (3)
C320—C321—C322	117.1 (5)	N307—Zn42—I403	107.4 (3)
C322—C321—C324	121.2 (4)	N307—Zn42—I404	110.4 (3)
C331—C327—C325	121.8 (4)	N306—Zn42—I403	102.7 (3)
C331—C327—C328	118.6 (4)	N306—Zn42—I404	109.7 (3)
C328—C327—C325	119.7 (4)	I403—Zn42—I404	122.1 (2)
C327—C331—H331	119.9
Zn33—N312—C336—C335	−176.1 (4)	C325—N310—C326—C334	174.4 (4)
Zn33—N312—C332—C333	174.4 (7)	C325—C327—C331—C330	−178.7 (4)
Zn33^iii—N305—C312—C313	177.9 (5)	C325—C327—C328—C329	−179.3 (5)
Zn33^iii—N305—C311—C310	−178.0 (4)	C302—C303—C304—C305	−2.3 (10)
Zn31^iv—N311—C330—C331	173.7 (3)	C316—C317—C318—N306	0.5 (9)
Zn31^iv—N311—C329—C328	−171.6 (5)	C309—C310—C311—N305	−0.8 (9)
Zn31—N301—C301—C302	170.1 (4)	C309—C313—C312—N305	1.1 (10)
Zn31—N301—C305—C304	−172.6 (7)	C334—C335—C336—N312	1.4 (8)
Zn32—N307—C319—C320	−175.2 (5)	C307—N303—C306—N302	−0.1 (6)
Zn32—N307—C323—C322	175.6 (5)	C307—N303—C306—C303	−178.8 (4)
Zn32—N306—C314—C315	−178.2 (5)	C307—N304—C308—N302	−2.3 (6)
Zn32—N306—C318—C317	178.9 (4)	C307—N304—C308—C316	176.6 (4)
N303—C306—C303—C302	−1.7 (6)	C307—C309—C310—C311	179.8 (5)
N303—C306—C303—C304	177.7 (5)	C307—C309—C313—C312	−179.9 (5)
N309—C324—C321—C320	−21.8 (7)	C321—C320—C319—N307	1.0 (9)
N309—C324—C321—C322	159.9 (5)	C327—C331—C330—N311	−0.8 (7)
N309—C325—C327—C331	−166.1 (4)	C331—C327—C328—C329	1.0 (8)
N309—C325—C327—C328	14.3 (6)	C301—N301—C305—C304	−0.5 (11)
N302—C308—C316—C317	170.9 (5)	C330—N311—C329—C328	3.6 (9)
N302—C308—C316—C315	−7.8 (6)	C330—N311—C329—Zn51^iv	173.9 (8)
N302—C306—C303—C302	179.5 (4)	C310—C309—C307—N303	−1.7 (6)
N302—C306—C303—C304	−1.1 (7)	C310—C309—C307—N304	178.4 (4)
N310—C326—C334—C335	22.2 (6)	C310—C309—C313—C312	0.7 (8)
N310—C326—C334—C333	−155.7 (5)	C313—C309—C307—N303	178.9 (4)
N310—C325—C327—C331	11.5 (6)	C313—C309—C307—N304	−1.0 (7)
N310—C325—C327—C328	−168.1 (4)	C313—C309—C310—C311	−0.8 (8)
N304—C308—C316—C317	−8.2 (7)	C335—C334—C333—C332	0.0 (10)
N304—C308—C316—C315	173.1 (4)	C336—N312—C332—C333	−2.8 (10)
N312—C332—C333—C334	2.4 (12)	C314—N306—C318—C317	−2.0 (8)
N308—C326—C334—C335	−160.0 (4)	C312—N305—C311—C310	2.5 (8)
N308—C326—C334—C333	22.2 (7)	C311—N305—C312—C313	−2.6 (9)
N308—C324—C321—C320	159.1 (5)	C317—C316—C315—C314	0.2 (8)
N308—C324—C321—C322	−19.2 (7)	C320—C321—C322—C323	1.7 (9)
N307—C323—C322—C321	−0.9 (10)	C315—C316—C317—C318	0.4 (8)
N306—C314—C315—C316	−1.8 (9)	C318—N306—C314—C315	2.6 (8)
N311—C329—C328—C327	−3.4 (9)	C329—N311—C330—C331	−1.4 (7)
C326—N310—C325—N309	5.2 (6)	C319—N307—C323—C322	0.1 (9)
C326—N310—C325—C327	−172.2 (3)	C323—N307—C319—C320	−0.1 (9)
C326—N308—C324—N309	4.7 (6)	C304—C303—C302—C301	0.6 (8)
C326—N308—C324—C321	−176.3 (4)	C328—C327—C331—C330	1.0 (7)
C326—C334—C335—C336	−179.7 (4)	C322—C321—C320—C319	−1.7 (8)
C326—C334—C333—C332	177.9 (6)	C332—N312—C336—C335	0.8 (8)
C308—N302—C306—N303	−3.4 (6)	C305—N301—C301—C302	−1.4 (8)
C308—N302—C306—C303	175.4 (4)	C333—C334—C335—C336	−1.8 (8)
C308—N304—C307—N303	−1.7 (6)	Zn43—N312—C336—C335	−179.2 (4)
C308—N304—C307—C309	178.2 (4)	Zn43—N312—C332—C333	177.2 (7)
C308—C316—C317—C318	−178.4 (5)	Zn43^iii—N305—C312—C313	175.8 (5)
C308—C316—C315—C314	179.0 (5)	Zn43^iii—N305—C311—C310	−175.9 (5)
C306—N303—C307—N304	2.8 (6)	Zn41^iv—N311—C330—C331	174.5 (4)
C306—N303—C307—C309	−177.1 (4)	Zn41^iv—N311—C329—C328	−173.1 (5)
C306—N302—C308—N304	4.7 (6)	Zn41—N301—C301—C302	−179.6 (4)
C306—N302—C308—C316	−174.3 (4)	Zn41—N301—C305—C304	177.7 (7)
C306—C303—C302—C301	−180.0 (4)	Zn53—N312—C336—C335	177.3 (6)
C306—C303—C304—C305	178.3 (6)	Zn53—N312—C332—C333	−178.5 (8)
C303—C302—C301—N301	1.3 (7)	Zn53^iii—N305—C312—C313	164.5 (8)
C303—C304—C305—N301	2.3 (13)	Zn53^iii—N305—C311—C310	−161.9 (8)
C324—N309—C325—N310	−2.2 (6)	Zn51^iv—N311—C330—C331	162 (2)
C324—N309—C325—C327	175.2 (4)	Zn51^iv—N311—C329—C328	−170.3 (9)
C324—N308—C326—N310	−1.3 (6)	Zn51—N301—C301—C302	−150.2 (9)
C324—N308—C326—C334	−178.9 (4)	Zn51—N301—C305—C304	137.9 (12)
C324—C321—C320—C319	179.8 (5)	Zn51^iv—C329—C328—C327	−145 (3)
C324—C321—C322—C323	−179.9 (5)	Zn42—N307—C319—C320	−177.3 (5)
C325—N309—C324—N308	−3.1 (6)	Zn42—N307—C323—C322	177.1 (5)
C325—N309—C324—C321	177.9 (4)	Zn42—N306—C314—C315	−178.8 (5)
C325—N310—C326—N308	−3.3 (6)	Zn42—N306—C318—C317	179.4 (5)

Symmetry codes: (i) x+1/2, y−1/2, z; (ii) x, −y+1, z+1/2; (iii) x−1/2, y+1/2, z; (iv) x, −y+1, z−1/2.

phenyl(p-tolyl)methanone (absorbed in crystalline sponge) (4_mbp_50_10_96a)

Crystal data

C144H96I24N48Zn12·7.746(C14H12O)	Z = 2
Mr = 7848.75	F(000) = 7467
Triclinic, P1	Dx = 1.627 Mg m^−3
a = 18.8343 (3) Å	Cu Kα radiation, λ = 1.54184 Å
b = 29.6438 (5) Å	Cell parameters from 53785 reflections
c = 32.8648 (5) Å	θ = 2.5–69.3°
α = 67.924 (1)°	µ = 19.55 mm^−1
β = 74.740 (1)°	T = 100 K
γ = 73.010 (1)°	Block, colourless
V = 16016.3 (5) Å^3	0.28 × 0.21 × 0.1 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	58479 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	43554 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.070
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.5°
profile data from ω–scans	h = −22→21
Absorption correction: gaussian CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Numerical absorption correction based on gaussian integration over a multifaceted crystal model Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −35→35
Tmin = 0.068, Tmax = 0.468	l = −39→39
254275 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.109	H-atom parameters constrained
wR(F^2) = 0.355	w = 1/[σ^2(Fo^2) + (0.1719P)^2 + 344.975P] where P = (Fo^2 + 2Fc^2)/3
S = 1.05	(Δ/σ)max = 0.002
58479 reflections	Δρmax = 2.70 e Å^−3
3592 parameters	Δρmin = −2.47 e Å^−3
1626 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I306	−0.02457 (5)	0.36544 (3)	−0.06973 (3)	0.0489 (2)
I317	0.48514 (6)	−0.13092 (3)	0.92564 (3)	0.0514 (2)
I305	0.11960 (6)	0.48081 (4)	−0.13593 (3)	0.0561 (3)
I519	0.4116 (5)	0.3625 (3)	1.0040 (2)	0.044 (3)	0.3679
I318	0.61947 (6)	−0.00966 (4)	0.86199 (3)	0.0602 (3)
I311	0.18760 (8)	0.87571 (4)	0.37506 (4)	0.0639 (3)	0.9586
I310	0.48375 (7)	0.44991 (4)	0.30536 (4)	0.0622 (3)	0.983 (2)
I520	0.2116 (6)	0.3581 (4)	1.1121 (4)	0.071 (5)	0.3679
I322	0.97590 (7)	−0.05104 (4)	1.30651 (4)	0.0640 (3)
I323	0.7014 (4)	0.3711 (2)	1.37358 (16)	0.0559 (12)	0.6047
I321	0.91031 (7)	−0.08423 (4)	1.20111 (4)	0.0661 (3)
I309	0.41153 (8)	0.42050 (4)	0.20011 (5)	0.0668 (4)	0.983 (2)
I307	−0.07458 (7)	0.86501 (4)	−0.00897 (4)	0.0691 (3)
I308	−0.27476 (7)	0.85980 (4)	0.09952 (5)	0.0736 (3)
I324	0.4870 (3)	0.33297 (16)	1.4623 (2)	0.0540 (8)	0.6047
I312	−0.02818 (7)	0.83623 (5)	0.46011 (5)	0.0700 (3)	0.9586
I316	0.2858 (2)	−0.08926 (11)	0.57179 (11)	0.0561 (10)	0.679 (17)
I315	0.30451 (18)	0.06683 (9)	0.47674 (9)	0.0584 (10)	0.679 (17)
I304	−0.4196 (3)	0.88522 (15)	−0.21875 (17)	0.1121 (14)	0.775 (9)
I303	−0.54968 (18)	0.90507 (12)	−0.32362 (18)	0.159 (2)	0.775 (9)
I502	−0.2217 (7)	0.4141 (2)	−0.4321 (4)	0.074 (2)	0.47 (2)
I501	−0.2116 (4)	0.5714 (3)	−0.5284 (2)	0.0754 (16)	0.47 (2)
Zn39	0.49792 (10)	−0.04050 (7)	0.89686 (6)	0.0443 (4)
Zn33	−0.00568 (10)	0.45448 (7)	−0.10259 (6)	0.0431 (4)
I313	−0.0527 (4)	0.4061 (2)	0.6769 (5)	0.200 (4)	0.71 (3)
Zn50	0.3380 (5)	0.3174 (3)	1.0776 (3)	0.037 (5)	0.3679
Zn42	0.6141 (3)	0.31132 (17)	1.41625 (18)	0.040 (2)	0.6047
Zn36	0.10112 (13)	0.81512 (7)	0.41469 (7)	0.0531 (5)	0.9586
Zn35	0.43826 (11)	0.47968 (7)	0.23092 (7)	0.0508 (5)
Zn41	0.93406 (11)	−0.02364 (7)	1.23127 (7)	0.0498 (5)
Zn34	−0.14617 (12)	0.81994 (7)	0.06547 (8)	0.0550 (5)
I314	0.0715 (12)	0.38317 (19)	0.7868 (2)	0.144 (4)	0.71 (3)
Zn38	0.2430 (4)	0.00531 (18)	0.54447 (18)	0.0448 (14)	0.679 (17)
Zn32	−0.4277 (4)	0.87976 (17)	−0.2931 (3)	0.0784 (12)	0.775 (9)
Zn51	−0.2676 (10)	0.5086 (4)	−0.4583 (4)	0.053 (2)	0.47 (2)
Zn37	0.0652 (6)	0.3797 (2)	0.7113 (4)	0.093 (3)	0.71 (3)
N311	−0.4806 (7)	0.5150 (4)	0.1827 (4)	0.053 (3)
N333	0.2387 (6)	0.0465 (4)	1.0625 (4)	0.042 (2)
N335	0.0156 (7)	0.0113 (5)	1.1834 (4)	0.051 (3)
N334	0.2138 (7)	0.1084 (4)	1.0967 (4)	0.045 (3)
N310	−0.2832 (7)	0.6131 (4)	0.0916 (4)	0.048 (3)
N307	−0.0669 (6)	0.4900 (4)	−0.0560 (4)	0.043 (2)
N312	−0.1636 (7)	0.7546 (5)	0.0639 (5)	0.050 (3)
N306	−0.0732 (7)	0.4936 (4)	−0.1508 (4)	0.046 (3)
N331	0.4369 (7)	−0.0082 (4)	0.9457 (4)	0.044 (3)
N330	0.4266 (7)	−0.0018 (4)	0.8503 (4)	0.048 (3)
N336	0.3230 (7)	0.2528 (4)	1.0735 (4)	0.047 (3)
N309	−0.2625 (7)	0.5497 (4)	0.0593 (4)	0.045 (3)
N304	−0.2334 (7)	0.6306 (4)	−0.2542 (4)	0.048 (3)
N340	0.6687 (7)	0.1827 (4)	1.2672 (4)	0.050 (3)
N316	0.1653 (7)	0.6850 (5)	0.2659 (4)	0.051 (3)
N326	0.2641 (7)	0.1336 (4)	0.7469 (4)	0.050 (3)
N308	−0.1856 (7)	0.6095 (4)	0.0300 (4)	0.047 (3)
N332	0.3147 (7)	0.1066 (4)	1.0356 (4)	0.046 (3)
N348	1.1269 (8)	0.0173 (5)	1.5433 (5)	0.059 (3)
N322	0.3399 (8)	0.5181 (5)	0.5779 (5)	0.059 (3)
N346	0.8549 (8)	0.0137 (5)	1.5741 (4)	0.056 (3)
N315	0.1244 (6)	0.6857 (4)	0.2023 (4)	0.043 (2)
N303	−0.2881 (7)	0.6396 (5)	−0.3155 (5)	0.055 (3)
N328	0.2844 (7)	0.0629 (4)	0.7230 (4)	0.050 (3)
N343	0.6716 (8)	0.2486 (5)	1.4573 (4)	0.054 (3)
N339	0.6222 (7)	0.1836 (4)	1.2056 (4)	0.048 (3)
N302	−0.2142 (7)	0.5609 (5)	−0.2789 (4)	0.055 (3)
N319	0.1589 (8)	0.7507 (5)	0.4568 (4)	0.052 (3)
N327	0.2127 (7)	0.1415 (5)	0.6851 (4)	0.050 (3)
N341	0.8440 (7)	0.0366 (4)	1.2310 (4)	0.050 (3)
N323	0.6123 (8)	0.5205 (5)	0.5446 (5)	0.065 (4)
C398	0.2719 (8)	0.1264 (5)	1.0659 (5)	0.044 (3)
N317	0.3475 (7)	0.5386 (5)	0.2318 (4)	0.051 (3)
N338	0.5594 (7)	0.2427 (4)	1.2430 (4)	0.045 (3)
N344	0.8631 (7)	0.0920 (5)	1.5186 (4)	0.049 (3)
N321	0.3462 (7)	0.5952 (5)	0.5215 (4)	0.051 (3)
N347	0.6437 (8)	−0.0770 (5)	1.6609 (5)	0.064 (4)
C379	0.2445 (8)	0.0938 (5)	0.6908 (5)	0.045 (3)
C378	0.2240 (7)	0.1589 (5)	0.7143 (5)	0.042 (3)
C326	−0.2256 (8)	0.6295 (5)	0.0605 (5)	0.046 (3)
C395	0.4579 (8)	0.0281 (5)	0.9516 (4)	0.044 (3)
H395	0.504107	0.037457	0.935331	0.053*
N345	0.7427 (8)	0.0711 (5)	1.5538 (4)	0.053 (3)
O1D	0.6452 (7)	0.3246 (5)	0.9119 (5)	0.076 (4)
N313	−0.0760 (7)	0.7898 (4)	0.1122 (5)	0.053 (3)
N320	0.2277 (8)	0.5760 (5)	0.5564 (5)	0.060 (4)
C315	−0.1401 (9)	0.5004 (5)	−0.2058 (5)	0.049 (3)
H315	−0.154867	0.484141	−0.221227	0.059*
C307	−0.2745 (8)	0.6565 (5)	−0.2858 (5)	0.047 (3)
C415	0.6706 (9)	0.1646 (5)	1.2352 (5)	0.050 (4)
C323	−0.0437 (8)	0.5254 (5)	−0.0500 (5)	0.044 (3)
H323	0.003976	0.532742	−0.065477	0.053*
C394	0.4122 (8)	0.0521 (5)	0.9814 (4)	0.045 (3)
H394	0.427180	0.078049	0.985160	0.054*
C343	0.1712 (8)	0.6668 (5)	0.2333 (5)	0.048 (3)
N337	0.4117 (7)	0.2864 (4)	1.1221 (4)	0.050 (3)
C322	−0.0880 (8)	0.5515 (5)	−0.0215 (5)	0.042 (3)
H322	−0.070771	0.576603	−0.017820	0.051*
C396	0.2959 (8)	0.0650 (5)	1.0365 (5)	0.041 (3)
N329	0.2335 (7)	0.0296 (5)	0.5967 (4)	0.053 (3)
N314	0.0583 (7)	0.7450 (4)	0.2390 (4)	0.046 (3)
C405	0.3283 (9)	0.2015 (5)	1.0318 (5)	0.052 (4)
H405	0.342968	0.194429	1.004460	0.062*
N324	0.1280 (9)	0.4273 (5)	0.6648 (5)	0.069 (4)
C397	0.1999 (8)	0.0696 (5)	1.0922 (5)	0.043 (3)
C429	0.7473 (8)	0.1535 (6)	1.5020 (5)	0.048 (3)
N342	0.6034 (8)	0.2793 (5)	1.3723 (4)	0.058 (3)
C399	0.1342 (8)	0.0506 (5)	1.1237 (5)	0.045 (3)
N318	0.0938 (8)	0.7822 (5)	0.3703 (5)	0.061 (4)
C442	0.9742 (9)	0.0362 (5)	1.5433 (5)	0.051 (4)
C414	0.5696 (8)	0.2219 (5)	1.2113 (5)	0.046 (3)
C321	−0.1562 (8)	0.5411 (5)	0.0010 (5)	0.043 (3)
C344	0.1078 (9)	0.7236 (5)	0.2675 (5)	0.048 (3)
N325	0.1164 (9)	0.3105 (5)	0.7063 (5)	0.069 (4)
C409	0.4607 (8)	0.2429 (5)	1.1230 (5)	0.046 (3)
H409	0.459738	0.226554	1.103322	0.055*
C324	−0.2048 (8)	0.5675 (5)	0.0319 (5)	0.042 (3)
C347	0.3056 (9)	0.5608 (5)	0.1993 (5)	0.052 (4)
H347	0.316345	0.547106	0.175867	0.062*
C325	−0.2998 (8)	0.5742 (5)	0.0884 (5)	0.046 (3)
O1A	0.0572 (8)	0.5983 (6)	0.9299 (7)	0.102 (5)
C334	−0.2031 (9)	0.6733 (5)	0.0618 (5)	0.051 (4)
C434	0.8922 (9)	0.0469 (6)	1.5453 (5)	0.052 (4)
C306	−0.2554 (10)	0.5919 (6)	−0.3103 (5)	0.055 (4)
C416	0.6116 (9)	0.2224 (5)	1.2693 (5)	0.049 (3)
C333	−0.1649 (10)	0.7021 (6)	0.0248 (5)	0.054 (4)
H333	−0.151411	0.694024	−0.002029	0.064*
C342	0.0718 (8)	0.7245 (5)	0.2067 (4)	0.042 (3)
C4D	0.6615 (8)	0.4832 (5)	0.9238 (6)	0.069 (4)
C412	0.4650 (9)	0.2902 (5)	1.1785 (5)	0.051 (4)
H412	0.465672	0.307061	1.197854	0.061*
C316	−0.1609 (8)	0.5516 (5)	−0.2165 (5)	0.045 (3)
C400	0.0973 (9)	0.0217 (6)	1.1141 (6)	0.056 (4)
H400	0.112170	0.015775	1.086267	0.068*
C430	0.7866 (10)	0.1907 (6)	1.4749 (5)	0.058 (4)
H430	0.839957	0.184333	1.471518	0.070*
N305	−0.3784 (9)	0.8077 (5)	−0.2918 (6)	0.066 (4)
C319	−0.1333 (8)	0.4800 (5)	−0.0341 (5)	0.046 (3)
H319	−0.148919	0.454548	−0.038310	0.055*
C411	0.5144 (8)	0.2451 (5)	1.1789 (5)	0.043 (3)
C351	0.0467 (10)	0.7864 (6)	0.3073 (5)	0.056 (4)
H351	0.011699	0.802990	0.287360	0.067*
C401	0.0414 (10)	0.0027 (6)	1.1442 (6)	0.061 (4)
H401	0.018697	−0.017854	1.137508	0.073*
C331	−0.3798 (10)	0.5557 (6)	0.1646 (5)	0.059 (4)
H331	−0.351677	0.571319	0.173419	0.071*
C433	0.7802 (10)	0.0263 (6)	1.5771 (5)	0.055 (4)
C357	0.2329 (9)	0.6572 (6)	0.5030 (5)	0.052 (4)
C361	0.3766 (10)	0.5515 (6)	0.5487 (5)	0.056 (4)
C406	0.2908 (8)	0.1699 (5)	1.0690 (5)	0.047 (3)
C337	−0.0266 (9)	0.7472 (5)	0.1138 (5)	0.052 (4)
H337	−0.024753	0.731573	0.092941	0.062*
C372	0.2023 (10)	0.4177 (6)	0.6666 (6)	0.063 (4)
H372	0.223711	0.387133	0.686935	0.075*
C339	0.0198 (8)	0.7470 (5)	0.1733 (5)	0.044 (3)
C5D	0.7331 (8)	0.4571 (5)	0.9118 (6)	0.060 (4)
H5D	0.774148	0.473150	0.902747	0.072*
C363	0.4596 (9)	0.5397 (5)	0.5459 (5)	0.051 (4)
C328	−0.4102 (9)	0.5333 (7)	0.1100 (5)	0.059 (4)
H328	−0.401426	0.531541	0.080725	0.071*
C340	−0.0306 (9)	0.7926 (5)	0.1723 (5)	0.053 (4)
H340	−0.032056	0.809364	0.192148	0.063*
C345	0.2309 (8)	0.6224 (5)	0.2322 (5)	0.045 (3)
C336	−0.1987 (10)	0.7253 (6)	0.1000 (6)	0.057 (4)
H336	−0.210228	0.733427	0.126638	0.069*
C329	−0.4680 (9)	0.5146 (6)	0.1415 (5)	0.057 (4)
H329	−0.499903	0.501106	0.133267	0.068*
C380	0.2916 (8)	0.0860 (5)	0.7497 (5)	0.046 (3)
C393	0.3471 (8)	0.0391 (5)	1.0050 (5)	0.042 (3)
C388	0.3386 (8)	0.0546 (5)	0.7848 (5)	0.046 (3)
C371	0.2485 (11)	0.4506 (6)	0.6398 (6)	0.068 (5)
H371	0.300691	0.441823	0.641255	0.081*
N301	−0.2716 (7)	0.5309 (5)	−0.4053 (5)	0.061 (4)
C318	−0.0930 (9)	0.5437 (5)	−0.1617 (5)	0.054 (4)
H318	−0.075885	0.559193	−0.146637	0.065*
C441	1.0213 (9)	0.0567 (6)	1.5065 (5)	0.050 (3)
H441	1.001585	0.077975	1.480275	0.061*
C408	0.2909 (9)	0.2223 (6)	1.1088 (5)	0.055 (4)
H408	0.279035	0.229460	1.135965	0.066*
C385	0.2716 (10)	0.0210 (6)	0.6647 (6)	0.059 (4)
H385	0.295823	0.000605	0.689525	0.071*
C423	0.5556 (10)	0.2858 (5)	1.3087 (5)	0.054 (4)
H423	0.520491	0.303112	1.288857	0.065*
C413	0.4148 (8)	0.3099 (5)	1.1491 (5)	0.048 (3)
H413	0.381343	0.341158	1.148001	0.057*
C427	0.6341 (11)	0.2133 (6)	1.4844 (6)	0.063 (4)
H427	0.580608	0.221436	1.488464	0.075*
C8B	0.5347 (7)	0.1838 (5)	0.9301 (6)	0.063 (4)
C410	0.5119 (8)	0.2214 (5)	1.1514 (5)	0.047 (3)
H410	0.545115	0.190208	1.151765	0.056*
C436	0.6569 (10)	0.0000 (6)	1.6031 (6)	0.065 (4)
H436	0.635221	0.029267	1.581638	0.078*
C370	0.2185 (11)	0.4961 (6)	0.6111 (6)	0.061 (4)
C417	0.7307 (8)	0.1199 (5)	1.2333 (5)	0.046 (3)
C364	0.5078 (9)	0.5572 (6)	0.5085 (5)	0.056 (4)
H364	0.488514	0.576915	0.481755	0.067*
C403	0.1091 (11)	0.0586 (7)	1.1643 (5)	0.063 (4)
H403	0.132329	0.077690	1.172445	0.076*
C4B	0.8190 (8)	0.0955 (6)	0.9422 (5)	0.070 (4)
C332	−0.1458 (9)	0.7430 (6)	0.0259 (6)	0.055 (4)
H332	−0.119817	0.763299	−0.000287	0.066*
C8A	0.0404 (7)	0.6825 (5)	0.9222 (6)	0.065 (4)
C439	0.7633 (10)	−0.0545 (6)	1.6353 (7)	0.067 (5)
H439	0.815654	−0.063678	1.636561	0.080*
C6A	0.1949 (8)	0.6290 (6)	0.9612 (6)	0.061 (4)
H6A	0.161877	0.648327	0.978898	0.073*
C422	0.5573 (10)	0.3039 (6)	1.3420 (5)	0.064 (5)
H422	0.524618	0.334743	1.343268	0.077*
C341	−0.0782 (10)	0.8123 (5)	0.1412 (6)	0.059 (4)
H341	−0.113565	0.842777	0.140411	0.070*
C391	0.3736 (9)	−0.0212 (5)	0.9684 (5)	0.049 (3)
H391	0.360754	−0.047811	0.964411	0.058*
C362	0.2643 (11)	0.5314 (6)	0.5811 (5)	0.059 (4)
C375	0.1866 (9)	0.2123 (5)	0.7106 (5)	0.052 (3)
C424	0.6056 (9)	0.2425 (5)	1.3050 (5)	0.049 (4)
C381	0.2390 (8)	0.0710 (5)	0.6585 (5)	0.048 (3)
O1B	0.5616 (10)	0.1010 (6)	0.9302 (9)	0.141 (8)
C338	0.0219 (9)	0.7244 (5)	0.1438 (5)	0.049 (3)
H338	0.056084	0.693577	0.143962	0.059*
C435	0.7335 (10)	−0.0098 (6)	1.6064 (6)	0.057 (4)
C431	0.7466 (9)	0.2366 (6)	1.4533 (6)	0.057 (4)
H431	0.773879	0.261424	1.434204	0.069*
C432	0.7867 (9)	0.1022 (5)	1.5258 (4)	0.049 (3)
C13D	0.7842 (9)	0.2559 (6)	0.9172 (6)	0.068 (4)
H13D	0.756732	0.256028	0.896692	0.081*
C356	0.2710 (10)	0.6930 (6)	0.4760 (5)	0.057 (4)
H356	0.324375	0.686218	0.472620	0.069*
C7D	0.6951 (8)	0.3340 (5)	0.9230 (6)	0.061 (4)
C384	0.2672 (9)	0.0020 (6)	0.6324 (5)	0.058 (4)
H384	0.289130	−0.032166	0.635944	0.070*
C368	0.0978 (11)	0.4725 (7)	0.6370 (7)	0.075 (5)
H368	0.045318	0.480668	0.636354	0.090*
C335	−0.2196 (9)	0.6841 (6)	0.1018 (5)	0.057 (4)
H335	−0.243979	0.663796	0.128664	0.068*
C314	−0.0981 (9)	0.4731 (5)	−0.1727 (5)	0.048 (3)
H314	−0.086132	0.437842	−0.164988	0.058*
C359	0.1200 (11)	0.7157 (7)	0.4841 (6)	0.072 (5)
H359	0.066619	0.723927	0.486857	0.086*
C444	1.0824 (10)	−0.0025 (8)	1.5786 (6)	0.071 (5)
H444	1.103822	−0.023503	1.604362	0.086*
C327	−0.3640 (8)	0.5549 (5)	0.1213 (5)	0.048 (3)
C350	0.0460 (11)	0.8044 (6)	0.3417 (5)	0.065 (5)
H350	0.009799	0.833595	0.344473	0.078*
C7A	0.0863 (8)	0.6308 (5)	0.9291 (7)	0.066 (4)
C358	0.1537 (10)	0.6686 (7)	0.5081 (6)	0.070 (5)
H358	0.124832	0.644840	0.527443	0.084*
C407	0.2730 (9)	0.1803 (6)	1.1092 (5)	0.050 (3)
H407	0.249413	0.159163	1.135834	0.059*
C419	0.7904 (10)	0.0512 (6)	1.2068 (5)	0.060 (4)
H419	0.791995	0.032846	1.188183	0.072*
C308	−0.2064 (8)	0.5826 (5)	−0.2517 (5)	0.049 (3)
C420	0.8406 (10)	0.0632 (7)	1.2566 (7)	0.074 (6)
H420	0.879178	0.052963	1.273894	0.089*
C374	0.1475 (11)	0.2423 (6)	0.6774 (7)	0.073 (5)
H374	0.144658	0.230371	0.654894	0.087*
C383	0.2025 (10)	0.0774 (6)	0.5928 (6)	0.062 (4)
H383	0.178257	0.097212	0.567879	0.074*
C11B	0.4362 (9)	0.2758 (7)	0.9207 (7)	0.073 (5)
H11B	0.401623	0.306693	0.919358	0.088*
C348	0.3285 (11)	0.5570 (6)	0.2650 (6)	0.070 (5)
H348	0.355281	0.540129	0.289268	0.084*
C309	−0.3115 (9)	0.7085 (5)	−0.2877 (6)	0.053 (4)
C320	−0.1808 (9)	0.5041 (6)	−0.0056 (5)	0.050 (3)
H320	−0.228471	0.496296	0.009051	0.060*
C428	0.6699 (11)	0.1647 (6)	1.5071 (6)	0.065 (4)
H428	0.641414	0.140261	1.525444	0.078*
C366	0.5668 (11)	0.5045 (8)	0.5813 (7)	0.075 (5)
H366	0.587991	0.486160	0.607571	0.090*
C301	−0.3108 (10)	0.5768 (7)	−0.4056 (6)	0.065 (5)
H301	−0.341496	0.595672	−0.427753	0.078*
C369	0.1407 (10)	0.5063 (7)	0.6100 (7)	0.074 (5)
H369	0.117966	0.536956	0.590310	0.089*
C302	−0.3081 (10)	0.5974 (6)	−0.3751 (6)	0.062 (4)
H302	−0.337644	0.629583	−0.375565	0.075*
C12B	0.4134 (9)	0.2358 (5)	0.9199 (6)	0.066 (4)
H12B	0.363329	0.240014	0.916081	0.079*
C8D	0.7629 (9)	0.2949 (5)	0.9350 (6)	0.063 (4)
C425	0.6520 (11)	0.2157 (6)	1.3379 (6)	0.071 (6)
H425	0.684906	0.184620	1.337596	0.085*
C330	−0.4347 (11)	0.5346 (7)	0.1944 (6)	0.063 (4)
H330	−0.441870	0.533287	0.224481	0.076*
C349	0.2739 (10)	0.5980 (6)	0.2673 (5)	0.059 (4)
H349	0.264544	0.610130	0.291554	0.071*
C355	0.2323 (10)	0.7393 (6)	0.4534 (5)	0.057 (4)
H355	0.260041	0.763940	0.434589	0.069*
C386	0.3909 (11)	0.0454 (6)	0.8463 (6)	0.064 (5)
H386	0.397367	0.060069	0.865874	0.077*
C437	0.6149 (11)	−0.0332 (7)	1.6312 (7)	0.071 (5)
H437	0.562694	−0.025557	1.629994	0.085*
C4E	0.1764 (11)	0.9737 (6)	−0.0832 (7)	0.090 (6)	0.9645
C13B	0.4621 (8)	0.1902 (6)	0.9245 (6)	0.068 (4)
H13B	0.445660	0.163145	0.923836	0.082*
C392	0.3242 (9)	0.0016 (6)	0.9981 (5)	0.051 (3)
H392	0.277446	−0.007577	1.013034	0.062*
C438	0.7169 (10)	−0.0854 (7)	1.6622 (6)	0.067 (5)
H438	0.737863	−0.115129	1.683538	0.080*
C360	0.2712 (9)	0.6064 (5)	0.5284 (5)	0.050 (3)
C13A	−0.0351 (8)	0.6915 (7)	0.9196 (6)	0.068 (4)
H13A	−0.056463	0.664480	0.923587	0.081*
C352	0.1001 (9)	0.7439 (5)	0.3037 (5)	0.049 (3)
C389	0.3767 (11)	0.0074 (7)	0.7877 (6)	0.076 (6)
H389	0.375179	−0.006642	0.766368	0.091*
C346	0.2485 (9)	0.6017 (6)	0.1982 (5)	0.051 (3)
H346	0.220880	0.616065	0.174287	0.061*
C404	0.3443 (9)	0.2429 (6)	1.0341 (5)	0.052 (3)
H404	0.369757	0.264313	1.008538	0.063*
C317	−0.1370 (9)	0.5733 (6)	−0.1936 (5)	0.056 (4)
H317	−0.150662	0.608372	−0.199708	0.067*
C440	1.0989 (10)	0.0471 (6)	1.5063 (6)	0.062 (4)
H440	1.131347	0.061646	1.480074	0.074*
O1F	0.7778 (9)	0.2366 (6)	0.8293 (5)	0.067 (4)	0.7533
C1D	0.6858 (7)	0.3850 (5)	0.9246 (5)	0.056 (4)
C6B	0.6911 (8)	0.1300 (6)	0.9689 (5)	0.065 (4)
H6B	0.655790	0.144483	0.989612	0.078*
C303	−0.2616 (9)	0.5705 (6)	−0.3435 (5)	0.058 (4)
C5A	0.2698 (8)	0.6121 (6)	0.9653 (5)	0.059 (4)
H5A	0.287662	0.618310	0.986802	0.071*
C382	0.2032 (10)	0.0998 (6)	0.6220 (6)	0.064 (5)
H382	0.180095	0.133982	0.617595	0.077*
C6D	0.7471 (8)	0.4075 (5)	0.9127 (5)	0.055 (4)
H6D	0.796971	0.389791	0.905374	0.066*
C9A	0.0699 (10)	0.7232 (5)	0.9148 (7)	0.077 (5)
H9A	0.122374	0.718539	0.913838	0.093*
C4A	0.3189 (9)	0.5863 (7)	0.9382 (5)	0.068 (4)
C3D	0.6010 (8)	0.4599 (5)	0.9350 (6)	0.064 (4)
H3D	0.551078	0.477238	0.942704	0.077*
C373	0.1101 (11)	0.2926 (6)	0.6767 (8)	0.077 (6)
H373	0.080510	0.313170	0.654323	0.092*
C9D	0.7997 (9)	0.2923 (6)	0.9678 (6)	0.066 (4)
H9D	0.784225	0.317781	0.981165	0.079*
C377	0.1561 (11)	0.2790 (6)	0.7398 (7)	0.072 (5)
H377	0.158357	0.291448	0.762096	0.086*
C443	1.0050 (11)	0.0049 (8)	1.5817 (6)	0.076 (6)
H443	0.974344	−0.010513	1.608496	0.091*
C387	0.3449 (11)	0.0738 (6)	0.8150 (6)	0.067 (5)
H387	0.317836	0.106417	0.814539	0.080*
C310	−0.3544 (12)	0.7398 (6)	−0.3201 (8)	0.082 (6)
H310	−0.360379	0.728145	−0.341989	0.098*
C365	0.5833 (10)	0.5476 (7)	0.5077 (6)	0.064 (4)
H365	0.615621	0.560268	0.480629	0.077*
O1H	0.1380 (14)	−0.1811 (7)	0.7334 (6)	0.096 (6)	0.7337
C1B	0.6665 (7)	0.1246 (6)	0.9353 (5)	0.066 (4)
C14D	0.6493 (15)	0.5359 (6)	0.9234 (8)	0.096 (7)
H14A	0.696654	0.541803	0.925405	0.144*
H14B	0.610848	0.540966	0.948914	0.144*
H14C	0.632422	0.559309	0.895684	0.144*
C1A	0.1673 (7)	0.6183 (5)	0.9320 (5)	0.061 (4)
C12A	−0.0799 (11)	0.7390 (6)	0.9114 (7)	0.077 (5)
H12A	−0.131649	0.744309	0.910216	0.092*
C376	0.1926 (10)	0.2306 (5)	0.7428 (6)	0.060 (4)
H376	0.220841	0.210339	0.765923	0.072*
C367	0.4881 (12)	0.5122 (7)	0.5852 (7)	0.078 (6)
H367	0.456748	0.499443	0.612728	0.093*
C313	−0.3010 (9)	0.7287 (6)	−0.2584 (6)	0.056 (4)
H313	−0.270658	0.708677	−0.236349	0.068*
C3F	0.8381 (12)	0.1181 (7)	0.7795 (8)	0.067 (6)	0.7533
H3F	0.886493	0.096416	0.780470	0.080*	0.7533
C353	0.1487 (13)	0.7211 (7)	0.3349 (7)	0.090 (8)
H353	0.185127	0.691406	0.333882	0.109*
C402	0.0503 (11)	0.0387 (7)	1.1926 (6)	0.068 (5)
H402	0.033152	0.044629	1.220405	0.081*
C305	−0.2270 (12)	0.5064 (7)	−0.3751 (7)	0.079 (6)
H305	−0.197612	0.474431	−0.375477	0.095*
C5E	0.2495 (10)	0.9477 (7)	−0.0930 (5)	0.087 (6)	0.9645
H5E	0.290467	0.962797	−0.097870	0.104*	0.9645
C421	0.7856 (10)	0.1040 (7)	1.2596 (7)	0.082 (7)
H421	0.784943	0.121044	1.279103	0.098*
C2D	0.6141 (8)	0.4114 (6)	0.9349 (6)	0.067 (4)
H2D	0.572588	0.396084	0.942100	0.080*
C1F	0.7552 (9)	0.1928 (6)	0.7898 (7)	0.057 (5)	0.7533
C418	0.7334 (10)	0.0914 (6)	1.2074 (6)	0.066 (5)
H418	0.695157	0.100137	1.190090	0.079*
C7B	0.5854 (11)	0.1350 (7)	0.9318 (8)	0.079 (5)
C390	0.4182 (10)	−0.0208 (6)	0.8220 (6)	0.070 (5)
H390	0.441020	−0.054786	0.824909	0.084*
C304	−0.2198 (13)	0.5240 (7)	−0.3427 (7)	0.082 (6)
H304	−0.187734	0.504754	−0.321386	0.099*
O1E	0.1685 (10)	0.8210 (6)	−0.1098 (8)	0.130 (8)	0.9645
C354	0.1439 (12)	0.7412 (8)	0.3666 (7)	0.089 (8)
H354	0.178112	0.725315	0.387063	0.106*
C311	−0.3899 (12)	0.7897 (6)	−0.3204 (8)	0.083 (6)
H311	−0.422092	0.810231	−0.341424	0.100*
C2B	0.7190 (8)	0.1040 (7)	0.9053 (6)	0.072 (5)
H2B	0.702827	0.098087	0.883077	0.087*
C426	0.6484 (10)	0.2354 (6)	1.3699 (6)	0.063 (5)
H426	0.679489	0.217038	1.391924	0.076*
C9E	0.3175 (10)	0.7847 (7)	−0.0472 (7)	0.083 (6)	0.9645
H9E	0.303928	0.811182	−0.035197	0.100*	0.9645
C11D	0.8822 (11)	0.2148 (7)	0.9618 (7)	0.083 (6)
H11D	0.923203	0.187974	0.970782	0.100*
C312	−0.3339 (10)	0.7770 (6)	−0.2610 (6)	0.064 (4)
H312	−0.325585	0.789836	−0.240537	0.077*
C12D	0.8457 (10)	0.2164 (6)	0.9293 (7)	0.079 (5)
H12D	0.862193	0.191191	0.915600	0.095*
C14A	0.4008 (11)	0.5673 (8)	0.9429 (8)	0.083 (6)
H14D	0.409916	0.531611	0.959777	0.124*
H14E	0.413515	0.585312	0.958742	0.124*
H14F	0.432316	0.572737	0.913267	0.124*
C11A	−0.0495 (11)	0.7788 (8)	0.9049 (8)	0.093 (6)
H11A	−0.079439	0.811779	0.897702	0.112*
C9B	0.5598 (10)	0.2239 (5)	0.9285 (7)	0.070 (5)
H9B	0.610613	0.219993	0.930890	0.084*
C3A	0.2917 (9)	0.5772 (7)	0.9079 (6)	0.075 (5)
H3A	0.325690	0.560701	0.888216	0.090*
C10E	0.3741 (10)	0.7441 (7)	−0.0327 (7)	0.090 (7)	0.9645
H10E	0.398570	0.742090	−0.010038	0.108*	0.9645
C10B	0.5106 (9)	0.2695 (7)	0.9236 (7)	0.077 (5)
H10B	0.528053	0.297141	0.922127	0.092*
C6E	0.2639 (9)	0.9001 (6)	−0.0956 (5)	0.072 (5)	0.9645
H6E	0.314366	0.882769	−0.102194	0.087*	0.9645
C1E	0.2041 (9)	0.8777 (6)	−0.0887 (7)	0.085 (6)	0.9645
C3B	0.7944 (9)	0.0919 (7)	0.9075 (6)	0.077 (5)
H3B	0.830208	0.080873	0.884908	0.092*
C10A	0.0243 (10)	0.7703 (7)	0.9088 (8)	0.088 (6)
H10A	0.044232	0.796939	0.907462	0.106*
C8G	0.4070 (12)	0.8741 (7)	0.3334 (6)	0.060 (6)	0.6519
C13E	0.3019 (11)	0.7489 (6)	−0.0980 (7)	0.085 (6)	0.9645
H13E	0.277302	0.751024	−0.120666	0.102*	0.9645
C13H	0.1187 (12)	−0.1635 (8)	0.6455 (7)	0.087 (8)	0.7337
H13H	0.143720	−0.139946	0.645576	0.105*	0.7337
C8E	0.2804 (10)	0.7869 (6)	−0.0794 (7)	0.089 (6)	0.9645
C5B	0.7660 (8)	0.1148 (6)	0.9727 (5)	0.067 (4)
H5B	0.781584	0.117557	0.996794	0.081*
C10D	0.8588 (9)	0.2524 (6)	0.9810 (6)	0.072 (5)
H10D	0.883563	0.250732	1.003399	0.086*
C7F	0.7378 (12)	0.2361 (7)	0.8055 (7)	0.063 (5)	0.7533
C11E	0.3952 (12)	0.7063 (8)	−0.0515 (7)	0.094 (7)	0.9645
H11E	0.435247	0.678830	−0.042008	0.113*	0.9645
C12E	0.3589 (11)	0.7078 (8)	−0.0838 (7)	0.088 (6)	0.9645
H12E	0.372693	0.681323	−0.095853	0.106*	0.9645
C2E	0.1307 (10)	0.9044 (7)	−0.0798 (8)	0.095 (7)	0.9645
H2E	0.089512	0.890358	−0.076901	0.114*	0.9645
C6C	−0.0281 (11)	0.7668 (9)	0.7909 (6)	0.070 (6)	0.7108
H6C	−0.027755	0.796837	0.794984	0.084*	0.7108
C2C	−0.0844 (12)	0.7208 (7)	0.7660 (7)	0.066 (6)	0.7108
H2C	−0.123044	0.719519	0.753074	0.079*	0.7108
C12C	−0.1841 (17)	0.9473 (9)	0.7367 (10)	0.089 (8)	0.7108
H12C	−0.225503	0.972237	0.743650	0.107*	0.7108
C8F	0.6756 (13)	0.2786 (7)	0.7928 (6)	0.071 (6)	0.7533
C2F	0.8244 (11)	0.1603 (6)	0.7909 (7)	0.065 (6)	0.7533
H2F	0.863289	0.167171	0.799681	0.078*	0.7533
C7E	0.2152 (10)	0.8283 (6)	−0.0943 (8)	0.086 (6)	0.9645
C11G	0.4041 (15)	0.9624 (8)	0.2607 (7)	0.084 (8)	0.6519
H11G	0.403989	0.992154	0.235839	0.101*	0.6519
C2A	0.2164 (8)	0.5915 (6)	0.9053 (6)	0.072 (5)
H2A	0.198047	0.583022	0.885460	0.087*
O1G	0.4202 (13)	0.8349 (9)	0.4090 (6)	0.088 (6)	0.6519
C14B	0.9014 (10)	0.0786 (10)	0.9461 (10)	0.108 (8)
H14G	0.932300	0.085093	0.916301	0.162*
H14H	0.912747	0.042759	0.962528	0.162*
H14I	0.912755	0.096881	0.962193	0.162*
C13F	0.6370 (12)	0.3039 (7)	0.8230 (7)	0.066 (5)	0.7533
H13F	0.650349	0.292680	0.851708	0.079*	0.7533
C14E	0.1631 (17)	1.0246 (10)	−0.0787 (10)	0.109 (9)	0.9645
H14J	0.211013	1.030725	−0.077914	0.164*	0.9645
H14K	0.127902	1.025813	−0.051012	0.164*	0.9645
H14L	0.141655	1.050170	−0.104144	0.164*	0.9645
C9C	−0.0625 (13)	0.8736 (8)	0.7203 (7)	0.062 (5)	0.7108
H9C	−0.020096	0.848248	0.715403	0.074*	0.7108
C7G	0.4174 (16)	0.8292 (7)	0.3743 (7)	0.068 (6)	0.6519
C4C	0.0275 (12)	0.6794 (8)	0.7996 (7)	0.071 (7)	0.7108
C13C	−0.1911 (16)	0.8986 (8)	0.7505 (11)	0.085 (7)	0.7108
H13C	−0.238491	0.890501	0.765627	0.102*	0.7108
C3E	0.1165 (10)	0.9512 (7)	−0.0751 (8)	0.100 (7)	0.9645
H3E	0.066381	0.967568	−0.066416	0.120*	0.9645
C3H	0.2754 (15)	−0.3131 (9)	0.7993 (8)	0.085 (7)	0.7337
H3H	0.289450	−0.317796	0.826518	0.102*	0.7337
O1C	−0.2029 (13)	0.8033 (8)	0.7523 (12)	0.135 (10)	0.7108
C8C	−0.1308 (11)	0.8614 (8)	0.7428 (9)	0.072 (6)	0.7108
C9F	0.6582 (13)	0.2972 (8)	0.7495 (7)	0.070 (6)	0.7533
H9F	0.686265	0.281593	0.727968	0.084*	0.7533
C1G	0.4241 (15)	0.7779 (7)	0.3733 (8)	0.067 (6)	0.6519
C3C	−0.0287 (11)	0.6782 (8)	0.7795 (7)	0.070 (6)	0.7108
H3C	−0.028858	0.648351	0.775101	0.084*	0.7108
C4F	0.7834 (12)	0.1063 (8)	0.7665 (8)	0.078 (6)	0.7533
C2H	0.2241 (15)	−0.2709 (10)	0.7802 (7)	0.085 (7)	0.7337
H2H	0.202821	−0.246514	0.794846	0.102*	0.7337
C4H	0.3057 (16)	−0.3483 (9)	0.7779 (7)	0.093 (8)	0.7337
C13G	0.3784 (14)	0.9206 (7)	0.3392 (8)	0.076 (7)	0.6519
H13G	0.360197	0.922240	0.368578	0.091*	0.6519
C9H	0.0849 (14)	−0.2429 (9)	0.6786 (8)	0.092 (8)	0.7337
H9H	0.086498	−0.273997	0.701861	0.111*	0.7337
C2G	0.4647 (16)	0.7395 (8)	0.4036 (8)	0.078 (8)	0.6519
H2G	0.487599	0.746821	0.422264	0.094*	0.6519
C12H	0.0815 (12)	−0.1530 (8)	0.6103 (7)	0.086 (8)	0.7337
H12H	0.079951	−0.121775	0.587150	0.103*	0.7337
C5F	0.7131 (14)	0.1384 (8)	0.7663 (10)	0.090 (7)	0.7533
H5F	0.673440	0.130698	0.759016	0.108*	0.7533
C12G	0.3755 (16)	0.9645 (9)	0.3035 (7)	0.099 (10)	0.6519
H12G	0.354194	0.995757	0.308281	0.119*	0.6519
C8H	0.1192 (12)	−0.2083 (8)	0.6804 (6)	0.086 (7)	0.7337
C5C	0.0266 (13)	0.7242 (8)	0.8045 (6)	0.073 (7)	0.7108
H5C	0.064902	0.725542	0.817640	0.087*	0.7108
C1H	0.2026 (14)	−0.2631 (8)	0.7399 (7)	0.083 (7)	0.7337
C4G	0.4365 (14)	0.6787 (8)	0.3820 (7)	0.093 (9)	0.6519
C10C	−0.0554 (16)	0.9227 (7)	0.7049 (9)	0.077 (7)	0.7108
H10C	−0.008515	0.930957	0.688905	0.092*	0.7108
C1C	−0.0838 (10)	0.7649 (7)	0.7712 (6)	0.058 (5)	0.7108
C12F	0.5793 (14)	0.3453 (8)	0.8117 (7)	0.086 (7)	0.7533
H12F	0.552804	0.362035	0.832667	0.103*	0.7533
C10H	0.0484 (15)	−0.2332 (9)	0.6436 (8)	0.102 (9)	0.7337
H10H	0.024770	−0.257328	0.643318	0.122*	0.7337
C14F	0.7907 (15)	0.0596 (8)	0.7568 (9)	0.076 (7)	0.7533
H14M	0.794537	0.031084	0.784278	0.114*	0.7533
H14N	0.836113	0.054952	0.734611	0.114*	0.7533
H14O	0.746330	0.062181	0.745164	0.114*	0.7533
C7H	0.1524 (14)	−0.2151 (7)	0.7191 (7)	0.082 (7)	0.7337
C11F	0.5602 (15)	0.3622 (8)	0.7696 (7)	0.085 (7)	0.7533
H11F	0.519836	0.390162	0.761954	0.102*	0.7533
C6G	0.3898 (19)	0.7657 (8)	0.3478 (9)	0.086 (8)	0.6519
H6G	0.362637	0.791546	0.326323	0.103*	0.6519
C5H	0.2846 (16)	−0.3413 (10)	0.7379 (7)	0.089 (8)	0.7337
H5H	0.305390	−0.365978	0.723557	0.107*	0.7337
C10F	0.6002 (15)	0.3381 (8)	0.7388 (8)	0.090 (8)	0.7533
H10F	0.587460	0.350088	0.709868	0.108*	0.7533
C11C	−0.1164 (14)	0.9596 (10)	0.7126 (10)	0.087 (8)	0.7108
H11C	−0.111812	0.993364	0.701458	0.104*	0.7108
C6H	0.2335 (16)	−0.2987 (9)	0.7190 (8)	0.088 (8)	0.7337
H6H	0.219775	−0.294035	0.691620	0.105*	0.7337
C6F	0.7004 (13)	0.1816 (8)	0.7765 (10)	0.089 (7)	0.7533
H6F	0.652769	0.204163	0.774332	0.107*	0.7533
C14C	0.0870 (19)	0.6348 (9)	0.8145 (11)	0.095 (10)	0.7108
H14V	0.064164	0.608665	0.838343	0.143*	0.7108
H14W	0.122939	0.643435	0.825575	0.143*	0.7108
H14X	0.113331	0.622655	0.789332	0.143*	0.7108
C7C	−0.1423 (16)	0.8101 (6)	0.7542 (11)	0.080 (7)	0.7108
C5G	0.3940 (19)	0.7169 (7)	0.3527 (9)	0.090 (8)	0.6519
H5G	0.367622	0.709470	0.335920	0.107*	0.6519
C9G	0.4348 (14)	0.8719 (8)	0.2905 (6)	0.065 (6)	0.6519
H9G	0.454936	0.840648	0.285655	0.078*	0.6519
C10G	0.4328 (16)	0.9160 (7)	0.2546 (7)	0.085 (8)	0.6519
H10G	0.451551	0.914442	0.225259	0.102*	0.6519
I302	−0.2515 (8)	0.4039 (4)	−0.4116 (6)	0.095 (3)	0.53 (2)
Zn31	−0.2785 (10)	0.4979 (5)	−0.4488 (5)	0.071 (3)	0.53 (2)
I301	−0.2126 (4)	0.5479 (8)	−0.5231 (3)	0.111 (3)	0.53 (2)
I516	0.2690 (13)	−0.0950 (5)	0.5801 (7)	0.156 (6)	0.321 (17)
Zn58	0.2322 (12)	−0.0002 (6)	0.5500 (5)	0.103 (8)	0.321 (17)
I515	0.2907 (9)	0.0563 (8)	0.4771 (4)	0.153 (5)	0.321 (17)
Zn40	0.3395 (4)	0.3177 (2)	1.0762 (2)	0.051 (4)	0.5731
I420	0.2122 (3)	0.3563 (2)	1.1135 (2)	0.056 (2)	0.5731
I419	0.4110 (4)	0.3642 (2)	1.0018 (2)	0.061 (3)	0.5731
C4J	−0.1351 (18)	0.7369 (9)	0.6529 (8)	0.082 (9)	0.4439
H4J	−0.147027	0.755100	0.673062	0.098*	0.4439
C5J	−0.0981 (16)	0.6870 (9)	0.6655 (8)	0.073 (8)	0.4439
H5J	−0.084792	0.671140	0.694283	0.088*	0.4439
C6J	−0.081 (2)	0.6604 (8)	0.6359 (11)	0.105 (10)	0.4439
C1J	−0.100 (3)	0.6836 (11)	0.5938 (11)	0.143 (15)	0.4439
H1J	−0.088309	0.665383	0.573568	0.172*	0.4439
C2J	−0.137 (3)	0.7335 (12)	0.5812 (9)	0.147 (15)	0.4439
H2J	−0.150545	0.749343	0.552346	0.177*	0.4439
C3J	−0.155 (2)	0.7601 (9)	0.6107 (9)	0.124 (13)	0.4439
Zn1	0.6086 (7)	0.3114 (4)	1.4172 (3)	0.082 (7)	0.3827
I524	0.4765 (6)	0.3336 (4)	1.4586 (5)	0.095 (4)	0.3827
I523	0.6935 (7)	0.3731 (4)	1.3756 (3)	0.089 (4)	0.3827
I724	0.523 (7)	0.354 (4)	1.433 (4)	0.080*	0.0126
I723	0.739 (7)	0.362 (5)	1.367 (5)	0.080*	0.0126
Zn82	0.647 (7)	0.304 (6)	1.405 (8)	0.080*	0.0126
C11H	0.0466 (12)	−0.1878 (9)	0.6089 (8)	0.095 (9)	0.7337
H11H	0.022026	−0.180764	0.584652	0.114*	0.7337
C3G	0.4720 (17)	0.6906 (8)	0.4069 (9)	0.080 (8)	0.6519
H3G	0.502137	0.664732	0.426761	0.096*	0.6519
C14H	0.362 (2)	−0.3946 (12)	0.7965 (10)	0.18 (2)	0.7337
H14P	0.381158	−0.390920	0.819659	0.264*	0.7337
H14Q	0.403404	−0.400311	0.772582	0.264*	0.7337
H14R	0.337164	−0.423109	0.809409	0.264*	0.7337
C9J	0.0637 (15)	0.6180 (8)	0.6770 (9)	0.059 (7)	0.4439
H9J	0.063986	0.649240	0.654066	0.070*	0.4439
C12J	0.0676 (14)	0.5250 (9)	0.7407 (8)	0.056 (6)	0.4439
H12J	0.068912	0.493075	0.762763	0.067*	0.4439
C13J	0.0194 (14)	0.5417 (8)	0.7099 (8)	0.054 (6)	0.4439
H13J	−0.010238	0.520743	0.709768	0.064*	0.4439
C11J	0.1133 (16)	0.5544 (9)	0.7393 (10)	0.065 (8)	0.4439
H11J	0.146474	0.542298	0.760276	0.078*	0.4439
O1J	−0.054 (2)	0.5768 (11)	0.6372 (14)	0.125 (13)	0.4439
C8J	0.0155 (15)	0.5892 (9)	0.6797 (9)	0.063 (6)	0.4439
C7J	−0.040 (2)	0.6072 (9)	0.6498 (15)	0.089 (8)	0.4439
C10J	0.1116 (16)	0.6013 (10)	0.7078 (10)	0.075 (9)	0.4439
H10J	0.142641	0.621768	0.707294	0.090*	0.4439
C14G	0.445 (3)	0.6253 (9)	0.3863 (11)	0.135 (16)	0.6519
H14S	0.419588	0.623796	0.364451	0.202*	0.6519
H14T	0.422080	0.607502	0.416417	0.202*	0.6519
H14U	0.498535	0.609768	0.380746	0.202*	0.6519
I510	0.527 (4)	0.467 (3)	0.283 (3)	0.080*	0.017 (2)
I509	0.449 (5)	0.435 (3)	0.177 (2)	0.080*	0.017 (2)
I511	0.133 (3)	0.8871 (11)	0.3858 (15)	0.080*	0.0253
Zn56	0.0812 (15)	0.8089 (9)	0.4227 (8)	0.080*	0.0253
I512	−0.0467 (17)	0.8077 (19)	0.4727 (13)	0.080*	0.0253
I720	0.237 (2)	0.3573 (18)	1.0983 (14)	0.080*	0.059
Zn70	0.364 (3)	0.315 (2)	1.0651 (17)	0.080*	0.059
I719	0.436 (2)	0.3608 (16)	0.9905 (14)	0.080*	0.059
C6I	0.4487 (16)	0.2663 (11)	0.8009 (8)	0.093 (9)	0.4879
H6I	0.449741	0.297803	0.801740	0.111*	0.4879
C9I	0.393 (2)	0.3696 (15)	0.7299 (13)	0.136 (11)	0.4879
H9I	0.434149	0.346097	0.720210	0.163*	0.4879
C12I	0.273 (2)	0.4385 (14)	0.7560 (15)	0.157 (13)	0.4879
H12I	0.233687	0.461687	0.767055	0.189*	0.4879
C5I	0.5045 (15)	0.2249 (13)	0.8151 (9)	0.098 (9)	0.4879
H5I	0.544983	0.228005	0.825410	0.117*	0.4879
C4I	0.5022 (17)	0.1790 (11)	0.8147 (10)	0.120 (11)	0.4879
O1I	0.2635 (15)	0.2896 (16)	0.781 (2)	0.206 (17)	0.4879
C13I	0.2688 (19)	0.3889 (15)	0.7703 (13)	0.150 (12)	0.4879
H13I	0.223803	0.378849	0.788039	0.180*	0.4879
C1I	0.3912 (14)	0.2610 (10)	0.7852 (9)	0.110 (9)	0.4879
C2I	0.3881 (16)	0.2155 (13)	0.7843 (11)	0.111 (9)	0.4879
H2I	0.347753	0.212346	0.774017	0.133*	0.4879
C3I	0.4444 (19)	0.1748 (11)	0.7986 (12)	0.118 (10)	0.4879
H3I	0.443515	0.143456	0.797333	0.142*	0.4879
C8I	0.330 (2)	0.3539 (10)	0.7586 (13)	0.141 (11)	0.4879
C7I	0.3245 (17)	0.3010 (11)	0.7725 (15)	0.154 (11)	0.4879
C14I	0.560 (3)	0.1334 (16)	0.832 (2)	0.18 (2)	0.4879
H14Z	0.602106	0.142994	0.836390	0.276*	0.4879
H	0.578607	0.115545	0.809907	0.276*	0.4879
HA	0.537552	0.111721	0.859991	0.276*	0.4879
C11I	0.335 (3)	0.4545 (11)	0.7258 (13)	0.151 (13)	0.4879
H11I	0.334463	0.489117	0.712325	0.181*	0.4879
C10I	0.398 (2)	0.4192 (16)	0.7154 (12)	0.142 (11)	0.4879
H10I	0.442907	0.429122	0.698306	0.170*	0.4879
Zn76	0.156 (5)	0.843 (5)	0.398 (5)	0.080*	0.0162
I711	0.251 (5)	0.893 (3)	0.346 (3)	0.080*	0.0162
I712	0.018 (4)	0.856 (3)	0.434 (3)	0.080*	0.0162
I503	−0.5458 (7)	0.9054 (4)	−0.3209 (3)	0.080*	0.225 (9)
I504	−0.4114 (9)	0.8827 (6)	−0.2151 (6)	0.080*	0.225 (9)
Zn52	−0.4243 (14)	0.8788 (8)	−0.2893 (9)	0.080*	0.225 (9)
I514	0.0364 (5)	0.3852 (3)	0.7815 (3)	0.068 (3)	0.29 (3)
Zn57	0.0539 (7)	0.3821 (5)	0.7020 (5)	0.056 (4)	0.29 (3)
I513	−0.0630 (6)	0.4058 (4)	0.6676 (4)	0.078 (4)	0.29 (3)
C14J	−0.197 (3)	0.8131 (13)	0.5981 (15)	0.127 (19)	0.4439
H14Y	−0.249066	0.814402	0.597053	0.190*	0.4439
HB	−0.172882	0.831815	0.568701	0.190*	0.4439
HC	−0.196667	0.827762	0.620219	0.190*	0.4439

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I306	0.0564 (5)	0.0381 (4)	0.0558 (5)	−0.0006 (4)	−0.0190 (4)	−0.0200 (4)
I317	0.0568 (5)	0.0424 (5)	0.0597 (5)	0.0045 (4)	−0.0218 (4)	−0.0254 (4)
I305	0.0479 (5)	0.0568 (6)	0.0620 (6)	−0.0058 (4)	−0.0218 (4)	−0.0132 (4)
I519	0.050 (5)	0.028 (3)	0.044 (4)	−0.014 (3)	−0.007 (3)	0.004 (2)
I318	0.0496 (5)	0.0688 (6)	0.0562 (6)	−0.0074 (5)	−0.0192 (4)	−0.0109 (5)
I311	0.0871 (8)	0.0554 (6)	0.0521 (6)	−0.0075 (6)	−0.0241 (6)	−0.0186 (5)
I310	0.0660 (7)	0.0515 (6)	0.0542 (6)	0.0075 (5)	−0.0201 (5)	−0.0094 (5)
I520	0.076 (8)	0.065 (6)	0.089 (8)	0.028 (4)	−0.050 (6)	−0.053 (4)
I322	0.0658 (7)	0.0559 (6)	0.0594 (6)	0.0014 (5)	−0.0211 (5)	−0.0106 (5)
I323	0.080 (2)	0.0441 (19)	0.0445 (19)	−0.0190 (17)	−0.0073 (16)	−0.0130 (14)
I321	0.0649 (6)	0.0518 (6)	0.0880 (8)	−0.0111 (5)	−0.0007 (6)	−0.0392 (5)
I309	0.0765 (8)	0.0473 (6)	0.0810 (8)	−0.0110 (5)	−0.0049 (6)	−0.0332 (5)
I307	0.0732 (7)	0.0567 (6)	0.0810 (7)	−0.0056 (5)	−0.0445 (6)	−0.0117 (5)
I308	0.0659 (7)	0.0631 (7)	0.0995 (9)	0.0169 (5)	−0.0412 (6)	−0.0401 (6)
I324	0.0489 (16)	0.0498 (16)	0.0659 (17)	0.0120 (11)	−0.0263 (17)	−0.0277 (12)
I312	0.0610 (7)	0.0683 (7)	0.0908 (9)	0.0083 (6)	−0.0301 (6)	−0.0422 (7)
I316	0.0663 (15)	0.0399 (12)	0.0609 (15)	0.0052 (10)	−0.0208 (13)	−0.0211 (10)
I315	0.0558 (13)	0.0631 (18)	0.0520 (12)	−0.0069 (9)	−0.0100 (9)	−0.0180 (9)
I304	0.148 (3)	0.0456 (10)	0.107 (2)	−0.0050 (12)	0.038 (2)	−0.0385 (12)
I303	0.0506 (10)	0.0468 (10)	0.306 (6)	−0.0018 (7)	−0.0493 (17)	0.0303 (18)
I502	0.089 (4)	0.0537 (19)	0.096 (4)	0.0144 (19)	−0.057 (3)	−0.039 (2)
I501	0.060 (2)	0.088 (4)	0.081 (2)	−0.0115 (19)	−0.0128 (14)	−0.034 (2)
Zn39	0.0474 (10)	0.0456 (10)	0.0440 (9)	0.0002 (8)	−0.0188 (8)	−0.0193 (8)
Zn33	0.0455 (10)	0.0411 (9)	0.0480 (10)	0.0003 (7)	−0.0207 (8)	−0.0189 (8)
I313	0.056 (2)	0.068 (2)	0.374 (10)	−0.0086 (15)	−0.049 (4)	0.045 (4)
Zn50	0.028 (6)	0.024 (6)	0.046 (6)	−0.008 (5)	0.001 (4)	0.001 (4)
Zn42	0.049 (3)	0.029 (3)	0.040 (4)	0.000 (3)	−0.015 (3)	−0.010 (2)
Zn36	0.0701 (14)	0.0445 (11)	0.0508 (11)	0.0074 (9)	−0.0329 (10)	−0.0222 (9)
Zn35	0.0535 (11)	0.0379 (9)	0.0558 (11)	0.0021 (8)	−0.0130 (9)	−0.0159 (8)
Zn41	0.0498 (11)	0.0389 (10)	0.0574 (11)	0.0025 (8)	−0.0132 (9)	−0.0184 (8)
Zn34	0.0620 (12)	0.0432 (10)	0.0727 (13)	0.0052 (9)	−0.0419 (11)	−0.0253 (9)
I314	0.219 (11)	0.0669 (18)	0.110 (3)	−0.029 (3)	0.052 (4)	−0.0435 (18)
Zn38	0.042 (2)	0.042 (2)	0.050 (2)	0.0032 (18)	−0.0132 (19)	−0.0202 (18)
Zn32	0.0590 (19)	0.0290 (14)	0.121 (3)	0.0059 (12)	−0.0006 (19)	−0.0178 (16)
Zn51	0.048 (4)	0.052 (4)	0.066 (4)	0.007 (3)	−0.032 (3)	−0.027 (3)
Zn37	0.090 (5)	0.040 (3)	0.114 (5)	0.001 (3)	0.006 (4)	−0.016 (3)
N311	0.059 (7)	0.043 (6)	0.057 (7)	0.019 (5)	−0.027 (6)	−0.029 (6)
N333	0.043 (6)	0.043 (6)	0.047 (6)	−0.013 (5)	−0.016 (5)	−0.013 (5)
N335	0.051 (7)	0.050 (7)	0.053 (7)	0.006 (5)	−0.023 (6)	−0.021 (6)
N334	0.046 (6)	0.038 (6)	0.054 (7)	0.002 (5)	−0.019 (5)	−0.022 (5)
N310	0.046 (7)	0.049 (7)	0.059 (7)	0.003 (5)	−0.030 (6)	−0.023 (6)
N307	0.043 (6)	0.042 (6)	0.048 (6)	−0.003 (5)	−0.019 (5)	−0.019 (5)
N312	0.049 (7)	0.046 (7)	0.068 (8)	0.000 (5)	−0.034 (6)	−0.024 (6)
N306	0.058 (7)	0.041 (6)	0.048 (6)	0.000 (5)	−0.024 (6)	−0.023 (5)
N331	0.059 (7)	0.035 (6)	0.042 (6)	−0.004 (5)	−0.020 (5)	−0.014 (5)
N330	0.050 (7)	0.048 (7)	0.054 (7)	0.006 (5)	−0.024 (6)	−0.026 (6)
N336	0.051 (7)	0.050 (7)	0.054 (7)	−0.005 (5)	−0.020 (6)	−0.030 (6)
N309	0.050 (7)	0.051 (7)	0.045 (6)	−0.009 (5)	−0.018 (5)	−0.021 (5)
N304	0.053 (7)	0.045 (6)	0.054 (7)	0.002 (5)	−0.027 (6)	−0.024 (5)
N340	0.060 (7)	0.043 (6)	0.050 (7)	0.003 (5)	−0.030 (6)	−0.017 (5)
N316	0.055 (7)	0.048 (7)	0.059 (7)	0.007 (5)	−0.028 (6)	−0.028 (6)
N326	0.055 (7)	0.044 (6)	0.053 (7)	0.005 (5)	−0.023 (6)	−0.022 (5)
N308	0.054 (7)	0.044 (6)	0.056 (7)	−0.003 (5)	−0.020 (6)	−0.028 (5)
N332	0.055 (7)	0.037 (6)	0.056 (7)	−0.002 (5)	−0.024 (6)	−0.021 (5)
N348	0.072 (9)	0.063 (8)	0.055 (8)	−0.007 (7)	−0.036 (7)	−0.021 (6)
N322	0.062 (8)	0.061 (8)	0.065 (8)	−0.003 (7)	−0.042 (7)	−0.020 (7)
N346	0.059 (8)	0.053 (7)	0.058 (8)	0.000 (6)	−0.026 (6)	−0.020 (6)
N315	0.044 (6)	0.042 (6)	0.044 (6)	−0.004 (5)	−0.017 (5)	−0.012 (5)
N303	0.056 (8)	0.044 (7)	0.071 (8)	0.000 (6)	−0.030 (7)	−0.020 (6)
N328	0.049 (7)	0.048 (7)	0.059 (7)	0.012 (5)	−0.028 (6)	−0.029 (6)
N343	0.071 (9)	0.052 (7)	0.043 (6)	0.002 (6)	−0.028 (6)	−0.018 (6)
N339	0.061 (7)	0.039 (6)	0.048 (6)	0.006 (5)	−0.026 (6)	−0.020 (5)
N302	0.058 (7)	0.049 (7)	0.062 (8)	0.020 (6)	−0.034 (6)	−0.033 (6)
N319	0.064 (8)	0.052 (7)	0.048 (7)	0.003 (6)	−0.027 (6)	−0.024 (6)
N327	0.045 (7)	0.047 (7)	0.052 (7)	−0.001 (5)	−0.013 (5)	−0.013 (5)
N341	0.051 (7)	0.041 (6)	0.060 (7)	0.001 (5)	−0.015 (6)	−0.023 (6)
N323	0.067 (9)	0.060 (8)	0.081 (10)	0.011 (7)	−0.050 (8)	−0.031 (8)
C398	0.053 (8)	0.036 (7)	0.052 (8)	−0.001 (6)	−0.027 (7)	−0.019 (6)
N317	0.051 (7)	0.051 (7)	0.047 (6)	−0.001 (5)	−0.013 (5)	−0.018 (5)
N338	0.059 (7)	0.032 (5)	0.046 (6)	0.001 (5)	−0.020 (5)	−0.016 (5)
N344	0.048 (7)	0.058 (7)	0.042 (6)	0.002 (6)	−0.017 (5)	−0.021 (5)
N321	0.057 (8)	0.053 (7)	0.052 (7)	−0.007 (6)	−0.026 (6)	−0.019 (6)
N347	0.070 (9)	0.040 (7)	0.077 (9)	−0.005 (6)	−0.022 (8)	−0.013 (6)
C379	0.048 (8)	0.039 (7)	0.051 (8)	0.001 (6)	−0.021 (6)	−0.017 (6)
C378	0.037 (7)	0.036 (7)	0.052 (8)	0.003 (5)	−0.015 (6)	−0.016 (6)
C326	0.056 (8)	0.040 (7)	0.052 (8)	0.001 (6)	−0.027 (7)	−0.023 (6)
C395	0.045 (7)	0.049 (8)	0.042 (7)	0.003 (6)	−0.021 (6)	−0.018 (6)
N345	0.065 (8)	0.048 (7)	0.050 (7)	−0.006 (6)	−0.037 (6)	−0.006 (6)
O1D	0.064 (7)	0.084 (9)	0.106 (10)	−0.018 (6)	−0.035 (7)	−0.043 (8)
N313	0.058 (7)	0.038 (6)	0.074 (8)	0.003 (5)	−0.031 (7)	−0.025 (6)
N320	0.072 (9)	0.051 (7)	0.064 (8)	0.009 (6)	−0.043 (7)	−0.021 (6)
C315	0.061 (9)	0.045 (8)	0.054 (8)	−0.001 (6)	−0.031 (7)	−0.023 (6)
C307	0.049 (8)	0.030 (6)	0.067 (9)	0.007 (6)	−0.027 (7)	−0.022 (6)
C415	0.065 (9)	0.035 (7)	0.055 (8)	0.009 (6)	−0.034 (7)	−0.020 (6)
C323	0.050 (8)	0.042 (7)	0.046 (7)	−0.002 (6)	−0.019 (6)	−0.019 (6)
C394	0.058 (9)	0.042 (7)	0.043 (7)	−0.007 (6)	−0.025 (6)	−0.014 (6)
C343	0.055 (8)	0.043 (7)	0.051 (8)	0.011 (6)	−0.027 (7)	−0.024 (6)
N337	0.060 (7)	0.036 (6)	0.060 (7)	0.004 (5)	−0.028 (6)	−0.022 (5)
C322	0.044 (7)	0.043 (7)	0.049 (7)	−0.003 (6)	−0.025 (6)	−0.018 (6)
C396	0.050 (8)	0.033 (6)	0.048 (7)	−0.005 (6)	−0.017 (6)	−0.017 (6)
N329	0.056 (7)	0.048 (7)	0.058 (7)	0.008 (6)	−0.034 (6)	−0.016 (6)
N314	0.052 (7)	0.040 (6)	0.047 (6)	−0.002 (5)	−0.017 (5)	−0.017 (5)
C405	0.064 (9)	0.048 (8)	0.054 (8)	0.002 (7)	−0.024 (7)	−0.030 (7)
N324	0.081 (11)	0.052 (8)	0.081 (10)	−0.022 (7)	−0.006 (8)	−0.026 (7)
C397	0.041 (7)	0.043 (7)	0.048 (7)	0.002 (6)	−0.016 (6)	−0.021 (6)
C429	0.053 (8)	0.053 (8)	0.039 (7)	0.005 (7)	−0.025 (6)	−0.017 (6)
N342	0.077 (9)	0.050 (7)	0.053 (7)	0.013 (6)	−0.037 (7)	−0.027 (6)
C399	0.050 (8)	0.041 (7)	0.048 (7)	−0.001 (6)	−0.023 (6)	−0.016 (6)
N318	0.084 (10)	0.050 (7)	0.061 (8)	0.010 (7)	−0.041 (7)	−0.031 (6)
C442	0.062 (9)	0.040 (7)	0.060 (9)	0.007 (6)	−0.042 (8)	−0.019 (7)
C414	0.053 (8)	0.042 (7)	0.047 (7)	−0.003 (6)	−0.023 (6)	−0.018 (6)
C321	0.050 (8)	0.035 (7)	0.053 (8)	−0.001 (6)	−0.021 (6)	−0.020 (6)
C344	0.055 (8)	0.042 (7)	0.045 (7)	0.000 (6)	−0.017 (6)	−0.015 (6)
N325	0.085 (11)	0.037 (7)	0.078 (10)	−0.007 (7)	−0.015 (8)	−0.014 (7)
C409	0.046 (8)	0.049 (8)	0.049 (8)	0.002 (6)	−0.019 (6)	−0.027 (6)
C324	0.044 (7)	0.046 (7)	0.046 (7)	−0.007 (6)	−0.020 (6)	−0.020 (6)
C347	0.061 (9)	0.048 (8)	0.052 (8)	0.007 (7)	−0.028 (7)	−0.023 (7)
C325	0.049 (8)	0.044 (7)	0.054 (8)	−0.004 (6)	−0.019 (6)	−0.024 (6)
O1A	0.074 (9)	0.084 (10)	0.172 (16)	−0.032 (8)	−0.021 (10)	−0.058 (11)
C334	0.060 (9)	0.044 (8)	0.065 (9)	0.009 (7)	−0.033 (8)	−0.034 (7)
C434	0.062 (9)	0.053 (9)	0.048 (8)	0.003 (7)	−0.031 (7)	−0.022 (7)
C306	0.070 (10)	0.047 (8)	0.054 (8)	−0.003 (7)	−0.029 (8)	−0.017 (7)
C416	0.061 (9)	0.044 (7)	0.051 (8)	0.003 (6)	−0.025 (7)	−0.025 (6)
C333	0.075 (11)	0.046 (8)	0.047 (8)	−0.002 (7)	−0.022 (8)	−0.023 (7)
C342	0.045 (7)	0.043 (7)	0.044 (7)	−0.007 (6)	−0.016 (6)	−0.018 (6)
C4D	0.075 (11)	0.059 (9)	0.078 (11)	−0.007 (8)	−0.030 (9)	−0.022 (8)
C412	0.065 (9)	0.045 (8)	0.051 (8)	0.008 (7)	−0.028 (7)	−0.028 (6)
C316	0.052 (8)	0.041 (7)	0.046 (7)	0.003 (6)	−0.026 (6)	−0.016 (6)
C400	0.063 (10)	0.059 (9)	0.064 (9)	−0.012 (8)	−0.022 (8)	−0.032 (8)
C430	0.057 (9)	0.059 (9)	0.052 (8)	0.008 (7)	−0.028 (7)	−0.015 (7)
N305	0.067 (9)	0.042 (7)	0.094 (11)	−0.006 (6)	−0.024 (8)	−0.024 (7)
C319	0.048 (8)	0.052 (8)	0.048 (8)	−0.012 (6)	−0.007 (6)	−0.026 (6)
C411	0.047 (8)	0.041 (7)	0.045 (7)	−0.001 (6)	−0.019 (6)	−0.017 (6)
C351	0.068 (10)	0.049 (8)	0.058 (9)	0.007 (7)	−0.033 (8)	−0.025 (7)
C401	0.061 (10)	0.059 (10)	0.078 (11)	−0.008 (8)	−0.026 (9)	−0.033 (9)
C331	0.078 (11)	0.057 (9)	0.051 (9)	−0.021 (8)	−0.017 (8)	−0.018 (7)
C433	0.065 (10)	0.040 (8)	0.057 (9)	−0.005 (7)	−0.016 (8)	−0.012 (7)
C357	0.066 (10)	0.053 (9)	0.044 (7)	0.003 (7)	−0.035 (7)	−0.018 (7)
C361	0.068 (10)	0.052 (9)	0.057 (9)	−0.003 (7)	−0.043 (8)	−0.015 (7)
C406	0.047 (8)	0.047 (8)	0.057 (8)	0.004 (6)	−0.026 (7)	−0.027 (7)
C337	0.061 (9)	0.045 (8)	0.059 (9)	0.009 (7)	−0.032 (7)	−0.029 (7)
C372	0.064 (10)	0.041 (8)	0.076 (11)	−0.004 (7)	−0.016 (9)	−0.013 (8)
C339	0.052 (8)	0.035 (7)	0.050 (8)	0.000 (6)	−0.022 (6)	−0.017 (6)
C5D	0.052 (9)	0.063 (9)	0.061 (9)	−0.017 (7)	−0.006 (7)	−0.015 (7)
C363	0.058 (9)	0.047 (8)	0.062 (9)	0.002 (7)	−0.038 (8)	−0.024 (7)
C328	0.062 (10)	0.074 (11)	0.049 (8)	−0.016 (8)	−0.018 (7)	−0.022 (8)
C340	0.067 (10)	0.036 (7)	0.065 (9)	0.012 (6)	−0.039 (8)	−0.026 (7)
C345	0.056 (8)	0.037 (7)	0.045 (7)	0.000 (6)	−0.022 (6)	−0.017 (6)
C336	0.070 (10)	0.050 (9)	0.069 (10)	−0.002 (8)	−0.033 (9)	−0.031 (8)
C329	0.048 (8)	0.068 (10)	0.059 (9)	−0.004 (7)	−0.019 (7)	−0.025 (8)
C380	0.050 (8)	0.044 (7)	0.046 (7)	0.002 (6)	−0.029 (6)	−0.013 (6)
C393	0.048 (8)	0.036 (7)	0.047 (7)	0.000 (6)	−0.027 (6)	−0.014 (6)
C388	0.049 (8)	0.045 (7)	0.045 (7)	0.008 (6)	−0.025 (6)	−0.017 (6)
C371	0.078 (12)	0.050 (9)	0.073 (11)	−0.023 (8)	−0.019 (9)	−0.007 (8)
N301	0.054 (8)	0.062 (8)	0.072 (9)	0.015 (6)	−0.037 (7)	−0.031 (7)
C318	0.067 (10)	0.041 (8)	0.065 (9)	0.000 (7)	−0.035 (8)	−0.022 (7)
C441	0.056 (9)	0.048 (8)	0.049 (8)	−0.009 (7)	−0.023 (7)	−0.010 (6)
C408	0.066 (10)	0.054 (9)	0.057 (9)	−0.004 (7)	−0.022 (8)	−0.031 (8)
C385	0.073 (11)	0.045 (8)	0.064 (9)	0.015 (7)	−0.037 (8)	−0.026 (7)
C423	0.077 (11)	0.040 (7)	0.052 (8)	0.001 (7)	−0.030 (8)	−0.019 (6)
C413	0.056 (8)	0.035 (7)	0.060 (8)	0.003 (6)	−0.030 (7)	−0.022 (6)
C427	0.077 (11)	0.049 (9)	0.057 (9)	0.007 (8)	−0.034 (9)	−0.012 (7)
C8B	0.058 (9)	0.057 (9)	0.075 (10)	−0.012 (7)	−0.010 (8)	−0.025 (8)
C410	0.060 (9)	0.036 (7)	0.049 (7)	0.007 (6)	−0.026 (7)	−0.021 (6)
C436	0.068 (11)	0.052 (9)	0.068 (10)	−0.006 (8)	−0.029 (9)	−0.006 (8)
C370	0.080 (12)	0.049 (9)	0.058 (9)	−0.004 (8)	−0.026 (8)	−0.021 (7)
C417	0.044 (7)	0.048 (8)	0.054 (8)	0.005 (6)	−0.025 (6)	−0.026 (6)
C364	0.056 (9)	0.061 (9)	0.050 (8)	−0.004 (7)	−0.027 (7)	−0.012 (7)
C403	0.078 (12)	0.066 (10)	0.049 (9)	−0.023 (9)	−0.011 (8)	−0.016 (8)
C4B	0.072 (11)	0.055 (9)	0.076 (11)	−0.011 (8)	−0.015 (9)	−0.013 (8)
C332	0.060 (9)	0.052 (8)	0.065 (9)	0.002 (7)	−0.028 (8)	−0.030 (7)
C8A	0.055 (9)	0.074 (10)	0.080 (10)	−0.018 (8)	−0.007 (8)	−0.041 (9)
C439	0.061 (10)	0.040 (8)	0.090 (13)	−0.016 (7)	−0.021 (9)	−0.003 (8)
C6A	0.065 (10)	0.053 (9)	0.074 (10)	−0.017 (7)	−0.008 (8)	−0.030 (8)
C422	0.085 (12)	0.054 (9)	0.061 (9)	0.031 (8)	−0.044 (9)	−0.042 (8)
C341	0.072 (10)	0.040 (8)	0.081 (11)	0.009 (7)	−0.048 (9)	−0.031 (8)
C391	0.058 (9)	0.044 (7)	0.059 (8)	−0.017 (7)	−0.014 (7)	−0.026 (7)
C362	0.083 (12)	0.039 (8)	0.055 (9)	−0.012 (7)	−0.026 (8)	−0.008 (7)
C375	0.055 (9)	0.032 (7)	0.062 (9)	0.003 (6)	−0.017 (7)	−0.013 (6)
C424	0.068 (9)	0.041 (7)	0.045 (7)	0.010 (6)	−0.036 (7)	−0.019 (6)
C381	0.051 (8)	0.040 (7)	0.055 (8)	0.007 (6)	−0.035 (7)	−0.013 (6)
O1B	0.092 (11)	0.075 (10)	0.29 (3)	−0.020 (9)	−0.064 (14)	−0.076 (14)
C338	0.056 (9)	0.042 (7)	0.061 (9)	0.001 (6)	−0.028 (7)	−0.027 (7)
C435	0.063 (10)	0.049 (8)	0.060 (9)	−0.012 (7)	−0.023 (8)	−0.011 (7)
C431	0.060 (10)	0.057 (9)	0.061 (9)	0.010 (7)	−0.033 (8)	−0.026 (8)
C432	0.064 (9)	0.047 (8)	0.035 (7)	0.003 (7)	−0.022 (7)	−0.015 (6)
C13D	0.066 (10)	0.059 (9)	0.080 (11)	−0.012 (8)	−0.031 (9)	−0.012 (8)
C356	0.062 (10)	0.056 (9)	0.051 (8)	−0.002 (7)	−0.033 (8)	−0.007 (7)
C7D	0.058 (9)	0.060 (9)	0.072 (10)	−0.012 (7)	−0.036 (8)	−0.015 (8)
C384	0.062 (10)	0.056 (9)	0.064 (9)	0.014 (7)	−0.036 (8)	−0.031 (8)
C368	0.064 (11)	0.054 (10)	0.099 (14)	−0.006 (8)	−0.026 (10)	−0.012 (10)
C335	0.061 (10)	0.070 (10)	0.051 (8)	−0.007 (8)	−0.016 (7)	−0.033 (8)
C314	0.065 (9)	0.033 (7)	0.051 (8)	0.002 (6)	−0.027 (7)	−0.016 (6)
C359	0.069 (11)	0.066 (11)	0.073 (11)	0.012 (9)	−0.040 (10)	−0.016 (9)
C444	0.060 (10)	0.089 (13)	0.056 (10)	−0.014 (9)	−0.024 (9)	−0.004 (9)
C327	0.050 (8)	0.051 (8)	0.043 (7)	0.000 (6)	−0.023 (6)	−0.013 (6)
C350	0.099 (13)	0.044 (8)	0.058 (9)	0.019 (8)	−0.046 (9)	−0.027 (7)
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C358	0.056 (10)	0.068 (11)	0.072 (11)	−0.018 (8)	−0.006 (9)	−0.007 (9)
C407	0.054 (8)	0.062 (9)	0.042 (7)	−0.015 (7)	−0.012 (6)	−0.023 (7)
C419	0.070 (10)	0.058 (9)	0.062 (9)	0.015 (8)	−0.030 (8)	−0.039 (8)
C308	0.051 (8)	0.043 (7)	0.054 (8)	0.005 (6)	−0.031 (7)	−0.015 (6)
C420	0.062 (10)	0.075 (11)	0.111 (15)	0.027 (9)	−0.056 (11)	−0.062 (11)
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C383	0.080 (11)	0.052 (9)	0.058 (9)	0.014 (8)	−0.041 (9)	−0.025 (7)
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C348	0.083 (12)	0.060 (10)	0.067 (10)	0.030 (9)	−0.037 (9)	−0.037 (9)
C309	0.063 (9)	0.026 (6)	0.070 (10)	0.004 (6)	−0.024 (8)	−0.018 (6)
C320	0.059 (9)	0.053 (8)	0.050 (8)	−0.017 (7)	−0.013 (7)	−0.025 (7)
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C366	0.067 (12)	0.088 (14)	0.068 (12)	−0.015 (10)	−0.040 (10)	−0.004 (10)
C301	0.069 (11)	0.069 (11)	0.065 (10)	0.016 (8)	−0.039 (9)	−0.035 (9)
C369	0.061 (11)	0.059 (10)	0.093 (14)	−0.002 (8)	−0.028 (10)	−0.014 (10)
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C12B	0.051 (9)	0.081 (11)	0.064 (10)	−0.012 (8)	−0.015 (8)	−0.019 (9)
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C425	0.096 (13)	0.052 (9)	0.072 (11)	0.035 (9)	−0.058 (10)	−0.039 (8)
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C349	0.073 (10)	0.047 (8)	0.063 (9)	0.023 (7)	−0.043 (8)	−0.029 (7)
C355	0.071 (11)	0.056 (9)	0.044 (8)	−0.001 (8)	−0.022 (7)	−0.018 (7)
C386	0.099 (13)	0.041 (8)	0.061 (9)	0.007 (8)	−0.042 (9)	−0.022 (7)
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C382	0.074 (11)	0.054 (9)	0.068 (10)	0.020 (8)	−0.044 (9)	−0.028 (8)
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C443	0.064 (11)	0.085 (13)	0.063 (10)	−0.015 (9)	−0.035 (9)	0.009 (9)
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C365	0.066 (11)	0.069 (11)	0.068 (10)	−0.004 (8)	−0.029 (9)	−0.031 (9)
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C367	0.091 (14)	0.071 (12)	0.069 (11)	−0.008 (10)	−0.050 (11)	−0.004 (9)
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C3F	0.073 (14)	0.069 (13)	0.061 (12)	−0.006 (11)	−0.018 (10)	−0.027 (10)
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C402	0.088 (13)	0.075 (12)	0.049 (9)	−0.026 (10)	−0.011 (9)	−0.024 (8)
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C1F	0.069 (12)	0.043 (9)	0.066 (11)	−0.020 (9)	−0.021 (10)	−0.011 (9)
C418	0.081 (12)	0.064 (10)	0.066 (10)	0.016 (9)	−0.041 (9)	−0.041 (8)
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C390	0.086 (12)	0.062 (10)	0.076 (11)	0.034 (9)	−0.054 (10)	−0.046 (9)
C304	0.107 (16)	0.072 (12)	0.087 (13)	0.019 (11)	−0.059 (12)	−0.049 (11)
O1E	0.120 (14)	0.092 (12)	0.20 (2)	−0.043 (10)	−0.104 (14)	−0.011 (12)
C354	0.108 (15)	0.088 (13)	0.086 (13)	0.050 (12)	−0.078 (12)	−0.059 (11)
C311	0.082 (13)	0.035 (8)	0.122 (18)	0.009 (8)	−0.045 (13)	−0.012 (10)
C2B	0.077 (11)	0.056 (9)	0.076 (11)	0.002 (8)	−0.022 (9)	−0.020 (8)
C426	0.082 (11)	0.052 (9)	0.063 (9)	0.026 (8)	−0.053 (9)	−0.030 (8)
C9E	0.068 (11)	0.083 (13)	0.101 (14)	−0.023 (10)	−0.046 (10)	−0.007 (11)
C11D	0.073 (12)	0.064 (11)	0.107 (14)	−0.014 (9)	−0.037 (11)	−0.010 (10)
C312	0.055 (10)	0.050 (9)	0.079 (11)	0.007 (7)	−0.017 (9)	−0.021 (8)
C12D	0.081 (12)	0.060 (10)	0.098 (13)	−0.002 (9)	−0.044 (10)	−0.018 (9)
C14A	0.066 (12)	0.088 (14)	0.101 (15)	0.003 (10)	−0.029 (11)	−0.043 (12)
C11A	0.102 (15)	0.080 (13)	0.104 (14)	0.007 (11)	−0.055 (12)	−0.034 (11)
C9B	0.067 (10)	0.057 (9)	0.094 (12)	−0.008 (8)	−0.033 (9)	−0.025 (9)
C3A	0.080 (12)	0.075 (11)	0.070 (10)	0.004 (9)	−0.023 (9)	−0.032 (9)
C10E	0.071 (12)	0.085 (14)	0.089 (14)	−0.029 (11)	−0.033 (11)	0.021 (11)
C10B	0.067 (11)	0.079 (11)	0.092 (12)	0.006 (9)	−0.028 (10)	−0.041 (10)
C6E	0.076 (11)	0.090 (13)	0.061 (10)	−0.035 (10)	−0.025 (9)	−0.013 (9)
C1E	0.069 (11)	0.087 (12)	0.089 (12)	−0.025 (10)	−0.048 (10)	0.010 (10)
C3B	0.079 (12)	0.059 (10)	0.075 (11)	0.006 (9)	−0.019 (10)	−0.016 (9)
C10A	0.101 (14)	0.071 (11)	0.121 (15)	−0.001 (10)	−0.053 (12)	−0.053 (11)
C8G	0.072 (14)	0.063 (13)	0.062 (12)	−0.006 (11)	−0.025 (11)	−0.037 (10)
C13E	0.078 (12)	0.080 (13)	0.086 (13)	−0.033 (10)	−0.038 (10)	0.012 (10)
C13H	0.068 (15)	0.086 (16)	0.094 (17)	−0.020 (13)	0.033 (13)	−0.042 (14)
C8E	0.080 (12)	0.064 (11)	0.115 (14)	−0.023 (9)	−0.056 (11)	0.012 (10)
C5B	0.077 (11)	0.057 (9)	0.071 (10)	−0.005 (8)	−0.025 (9)	−0.022 (8)
C10D	0.062 (10)	0.066 (10)	0.090 (12)	−0.020 (8)	−0.028 (9)	−0.014 (9)
C7F	0.078 (13)	0.045 (10)	0.073 (12)	−0.013 (9)	−0.029 (11)	−0.016 (9)
C11E	0.070 (12)	0.085 (14)	0.095 (15)	−0.032 (11)	−0.027 (11)	0.026 (12)
C12E	0.083 (13)	0.078 (13)	0.092 (14)	−0.028 (10)	−0.033 (11)	0.004 (11)
C2E	0.089 (14)	0.091 (14)	0.107 (15)	−0.038 (12)	−0.038 (12)	−0.006 (12)
C6C	0.080 (15)	0.078 (15)	0.041 (11)	−0.022 (12)	−0.009 (10)	−0.006 (10)
C2C	0.066 (13)	0.056 (12)	0.070 (13)	−0.018 (10)	−0.009 (11)	−0.014 (11)
C12C	0.108 (19)	0.063 (14)	0.114 (19)	−0.001 (14)	−0.044 (16)	−0.044 (14)
C8F	0.091 (14)	0.060 (11)	0.078 (13)	−0.011 (11)	−0.033 (11)	−0.033 (10)
C2F	0.072 (13)	0.044 (10)	0.065 (12)	−0.004 (9)	−0.014 (11)	−0.008 (9)
C7E	0.074 (12)	0.068 (11)	0.121 (15)	−0.021 (9)	−0.053 (11)	−0.009 (11)
C11G	0.11 (2)	0.068 (15)	0.064 (15)	0.002 (15)	−0.044 (15)	−0.006 (13)
C2A	0.083 (12)	0.057 (9)	0.085 (11)	0.005 (8)	−0.031 (10)	−0.036 (9)
O1G	0.096 (15)	0.107 (17)	0.060 (11)	−0.018 (13)	−0.012 (11)	−0.031 (11)
C14B	0.082 (15)	0.107 (18)	0.13 (2)	0.030 (13)	−0.034 (14)	−0.059 (16)
C13F	0.087 (15)	0.056 (11)	0.072 (13)	−0.023 (10)	−0.023 (11)	−0.028 (10)
C14E	0.14 (2)	0.103 (19)	0.108 (19)	−0.055 (17)	−0.040 (17)	−0.020 (15)
C9C	0.071 (13)	0.060 (12)	0.061 (12)	−0.001 (10)	−0.024 (11)	−0.029 (10)
C7G	0.072 (15)	0.087 (16)	0.054 (13)	−0.016 (13)	−0.015 (11)	−0.030 (12)
C4C	0.062 (13)	0.060 (13)	0.064 (13)	−0.016 (11)	−0.018 (11)	0.015 (11)
C13C	0.080 (16)	0.069 (15)	0.108 (18)	−0.005 (13)	−0.018 (15)	−0.039 (14)
C3E	0.092 (14)	0.105 (16)	0.105 (15)	−0.030 (13)	−0.047 (13)	−0.010 (13)
C3H	0.103 (18)	0.095 (17)	0.063 (14)	−0.042 (14)	0.015 (13)	−0.036 (13)
O1C	0.098 (17)	0.086 (16)	0.25 (3)	0.003 (13)	−0.08 (2)	−0.062 (18)
C8C	0.078 (14)	0.067 (13)	0.087 (14)	0.001 (11)	−0.032 (12)	−0.041 (11)
C9F	0.097 (16)	0.059 (12)	0.069 (13)	−0.008 (11)	−0.037 (12)	−0.030 (10)
C1G	0.076 (15)	0.071 (14)	0.054 (12)	−0.019 (12)	−0.012 (11)	−0.017 (11)
C3C	0.079 (15)	0.059 (13)	0.070 (14)	−0.033 (11)	−0.014 (12)	−0.005 (11)
C4F	0.095 (16)	0.072 (14)	0.065 (13)	−0.014 (12)	−0.022 (12)	−0.018 (11)
C2H	0.105 (18)	0.088 (16)	0.070 (14)	−0.040 (14)	0.015 (13)	−0.040 (13)
C4H	0.099 (18)	0.107 (19)	0.057 (13)	−0.027 (15)	0.008 (13)	−0.019 (13)
C13G	0.096 (18)	0.060 (14)	0.081 (16)	0.008 (13)	−0.030 (14)	−0.041 (12)
C9H	0.12 (2)	0.089 (17)	0.087 (16)	−0.053 (15)	0.003 (15)	−0.041 (14)
C2G	0.077 (16)	0.088 (17)	0.059 (14)	−0.026 (14)	−0.016 (13)	−0.003 (13)
C12H	0.066 (15)	0.102 (18)	0.084 (16)	−0.024 (13)	0.005 (13)	−0.032 (15)
C5F	0.106 (18)	0.077 (15)	0.107 (17)	−0.014 (13)	−0.040 (15)	−0.044 (14)
C12G	0.12 (2)	0.067 (16)	0.091 (18)	0.032 (16)	−0.037 (17)	−0.032 (14)
C8H	0.099 (16)	0.102 (16)	0.076 (14)	−0.063 (13)	0.013 (13)	−0.038 (12)
C5C	0.092 (16)	0.075 (15)	0.044 (11)	−0.016 (13)	−0.026 (11)	−0.002 (11)
C1H	0.111 (17)	0.082 (14)	0.057 (12)	−0.035 (13)	0.017 (12)	−0.037 (11)
C4G	0.13 (2)	0.066 (16)	0.063 (15)	−0.008 (16)	−0.019 (16)	−0.011 (13)
C10C	0.099 (17)	0.071 (14)	0.080 (15)	−0.004 (13)	−0.045 (13)	−0.037 (12)
C1C	0.066 (12)	0.057 (11)	0.060 (11)	−0.010 (10)	−0.024 (10)	−0.022 (9)
C12F	0.114 (18)	0.077 (15)	0.088 (16)	−0.032 (13)	−0.028 (14)	−0.036 (13)
C10H	0.11 (2)	0.112 (19)	0.095 (18)	−0.060 (16)	0.010 (16)	−0.039 (16)
C14F	0.073 (16)	0.063 (14)	0.075 (16)	−0.010 (12)	−0.001 (13)	−0.015 (12)
C7H	0.110 (18)	0.083 (15)	0.063 (13)	−0.057 (14)	0.008 (13)	−0.025 (12)
C11F	0.117 (18)	0.060 (13)	0.089 (15)	0.011 (12)	−0.050 (14)	−0.037 (12)
C6G	0.14 (2)	0.077 (16)	0.057 (14)	−0.027 (16)	−0.026 (15)	−0.026 (13)
C5H	0.12 (2)	0.095 (17)	0.049 (12)	−0.030 (15)	0.013 (13)	−0.037 (12)
C10F	0.13 (2)	0.064 (14)	0.089 (16)	−0.007 (14)	−0.062 (15)	−0.025 (12)
C11C	0.113 (19)	0.065 (14)	0.105 (18)	−0.013 (14)	−0.059 (16)	−0.031 (13)
C6H	0.116 (19)	0.085 (16)	0.064 (14)	−0.035 (14)	0.018 (14)	−0.037 (12)
C6F	0.110 (18)	0.063 (14)	0.104 (17)	0.007 (13)	−0.041 (15)	−0.042 (13)
C14C	0.11 (2)	0.045 (14)	0.11 (2)	−0.007 (14)	−0.065 (19)	0.017 (14)
C7C	0.071 (14)	0.055 (13)	0.113 (18)	0.002 (11)	−0.044 (13)	−0.018 (13)
C5G	0.14 (2)	0.066 (16)	0.070 (16)	−0.024 (16)	−0.019 (16)	−0.023 (13)
C9G	0.084 (16)	0.068 (14)	0.059 (13)	−0.029 (12)	−0.014 (12)	−0.028 (11)
C10G	0.12 (2)	0.064 (15)	0.056 (14)	0.004 (15)	−0.021 (14)	−0.019 (12)
I302	0.100 (5)	0.079 (3)	0.132 (7)	0.028 (3)	−0.073 (5)	−0.061 (4)
Zn31	0.069 (6)	0.084 (6)	0.084 (6)	0.016 (5)	−0.043 (5)	−0.057 (5)
I301	0.089 (2)	0.191 (10)	0.085 (3)	−0.035 (4)	−0.016 (2)	−0.077 (5)
I516	0.194 (11)	0.125 (8)	0.199 (11)	0.079 (7)	−0.153 (9)	−0.114 (8)
Zn58	0.117 (14)	0.123 (13)	0.098 (11)	0.038 (9)	−0.087 (10)	−0.072 (10)
I515	0.118 (7)	0.266 (14)	0.104 (6)	−0.051 (8)	−0.035 (5)	−0.074 (7)
Zn40	0.064 (7)	0.049 (6)	0.063 (5)	0.014 (4)	−0.047 (4)	−0.039 (4)
I420	0.042 (3)	0.053 (3)	0.063 (3)	0.002 (2)	−0.009 (2)	−0.020 (2)
I419	0.065 (4)	0.065 (4)	0.062 (4)	0.004 (2)	−0.038 (3)	−0.026 (2)
C4J	0.060 (19)	0.088 (16)	0.068 (16)	0.009 (14)	−0.012 (15)	−0.010 (13)
C5J	0.052 (17)	0.078 (15)	0.065 (16)	−0.001 (13)	−0.004 (14)	−0.011 (12)
C6J	0.12 (2)	0.099 (15)	0.077 (16)	0.019 (15)	−0.035 (16)	−0.026 (12)
C1J	0.18 (3)	0.13 (2)	0.090 (18)	0.05 (2)	−0.062 (19)	−0.036 (16)
C2J	0.19 (3)	0.13 (2)	0.09 (2)	0.04 (2)	−0.07 (2)	−0.027 (16)
C3J	0.14 (3)	0.11 (2)	0.084 (18)	0.03 (2)	−0.044 (18)	−0.018 (14)
Zn1	0.112 (11)	0.087 (10)	0.068 (9)	0.029 (8)	−0.068 (8)	−0.050 (7)
I524	0.072 (4)	0.118 (6)	0.102 (5)	0.031 (3)	−0.055 (3)	−0.056 (4)
I523	0.125 (7)	0.086 (5)	0.073 (5)	0.010 (4)	−0.052 (4)	−0.045 (4)
C11H	0.073 (16)	0.099 (19)	0.103 (18)	−0.023 (14)	0.022 (15)	−0.042 (15)
C3G	0.11 (2)	0.067 (15)	0.063 (15)	−0.030 (14)	−0.019 (14)	−0.010 (12)
C14H	0.17 (4)	0.15 (4)	0.10 (3)	0.03 (3)	0.04 (3)	−0.02 (3)
C9J	0.059 (15)	0.028 (11)	0.073 (16)	0.009 (10)	−0.018 (12)	−0.007 (11)
C12J	0.051 (14)	0.051 (13)	0.055 (14)	0.002 (10)	0.004 (10)	−0.025 (11)
C13J	0.065 (15)	0.036 (10)	0.064 (14)	0.000 (10)	−0.004 (11)	−0.035 (9)
C11J	0.060 (16)	0.046 (13)	0.076 (17)	0.003 (11)	−0.025 (13)	−0.007 (11)
O1J	0.16 (3)	0.11 (2)	0.12 (3)	0.01 (2)	−0.08 (2)	−0.06 (2)
C8J	0.069 (15)	0.052 (11)	0.063 (14)	−0.001 (10)	−0.008 (11)	−0.025 (10)
C7J	0.096 (19)	0.091 (15)	0.081 (17)	0.002 (13)	−0.032 (15)	−0.035 (12)
C10J	0.072 (18)	0.049 (13)	0.089 (18)	−0.003 (12)	−0.032 (14)	−0.001 (13)
C14G	0.24 (5)	0.11 (3)	0.058 (19)	−0.04 (3)	−0.05 (3)	−0.018 (19)
C6I	0.081 (17)	0.18 (2)	0.056 (16)	−0.037 (15)	0.002 (13)	−0.081 (18)
C9I	0.13 (2)	0.21 (2)	0.12 (2)	0.059 (19)	−0.076 (16)	−0.14 (2)
C12I	0.15 (3)	0.22 (2)	0.12 (2)	0.09 (2)	−0.099 (18)	−0.12 (2)
C5I	0.084 (18)	0.17 (2)	0.068 (18)	−0.050 (16)	−0.001 (15)	−0.061 (19)
C4I	0.12 (2)	0.17 (2)	0.11 (2)	−0.053 (17)	−0.015 (19)	−0.06 (2)
O1I	0.115 (19)	0.26 (3)	0.34 (5)	0.04 (2)	−0.07 (3)	−0.25 (4)
C13I	0.13 (2)	0.23 (2)	0.12 (2)	0.07 (2)	−0.084 (17)	−0.14 (2)
C1I	0.087 (16)	0.19 (2)	0.108 (19)	−0.017 (14)	−0.018 (14)	−0.118 (17)
C2I	0.09 (2)	0.19 (2)	0.10 (2)	−0.041 (15)	0.013 (17)	−0.11 (2)
C3I	0.10 (2)	0.18 (2)	0.11 (2)	−0.048 (16)	0.003 (18)	−0.09 (2)
C8I	0.13 (2)	0.22 (2)	0.14 (2)	0.048 (16)	−0.077 (16)	−0.15 (2)
C7I	0.121 (18)	0.23 (2)	0.17 (2)	0.028 (16)	−0.066 (19)	−0.16 (2)
C14I	0.18 (4)	0.18 (3)	0.22 (6)	−0.04 (3)	−0.08 (4)	−0.05 (4)
C11I	0.15 (3)	0.21 (3)	0.11 (2)	0.09 (2)	−0.104 (18)	−0.11 (2)
C10I	0.14 (2)	0.20 (2)	0.11 (2)	0.066 (18)	−0.092 (18)	−0.11 (2)
I514	0.070 (5)	0.038 (3)	0.084 (4)	−0.001 (2)	0.012 (3)	−0.032 (2)
Zn57	0.049 (6)	0.031 (6)	0.076 (7)	0.008 (4)	−0.016 (5)	−0.014 (4)
I513	0.038 (3)	0.046 (3)	0.127 (9)	0.002 (2)	−0.030 (3)	0.002 (3)
C14J	0.10 (4)	0.11 (2)	0.11 (4)	0.04 (2)	−0.04 (3)	−0.01 (2)

Geometric parameters (Å, º)

I306—Zn33	2.542 (2)	C358—H358	0.9500
I317—Zn39	2.547 (2)	C407—H407	0.9500
I305—Zn33	2.540 (2)	C419—H419	0.9500
I519—Zn50	2.538 (8)	C419—C418	1.35 (2)
I318—Zn39	2.539 (2)	C420—H420	0.9500
I311—Zn36	2.532 (3)	C420—C421	1.36 (2)
I310—Zn35	2.557 (2)	C374—H374	0.9500
I520—Zn50	2.519 (10)	C374—C373	1.45 (2)
I322—Zn41	2.557 (2)	C383—H383	0.9500
I323—Zn42	2.537 (5)	C383—C382	1.36 (2)
I321—Zn41	2.540 (2)	C11B—H11B	0.9500
I309—Zn35	2.545 (2)	C11B—C12B	1.383 (14)
I307—Zn34	2.539 (3)	C11B—C10B	1.382 (14)
I308—Zn34	2.531 (3)	C348—H348	0.9500
I324—Zn42	2.521 (6)	C348—C349	1.36 (2)
I312—Zn36	2.539 (3)	C309—C310	1.39 (2)
I316—Zn38	2.546 (5)	C309—C313	1.39 (2)
I315—Zn38	2.539 (5)	C320—H320	0.9500
I304—Zn32	2.555 (6)	C428—H428	0.9500
I303—Zn32	2.547 (5)	C366—H366	0.9500
I502—Zn51	2.547 (10)	C366—C367	1.41 (3)
I501—Zn51	2.557 (11)	C301—H301	0.9500
Zn39—N331	2.086 (12)	C301—C302	1.37 (2)
Zn39—N330	2.080 (11)	C369—H369	0.9500
Zn33—N307	2.086 (11)	C302—H302	0.9500
Zn33—N306	2.072 (11)	C302—C303	1.387 (19)
I313—Zn37	2.543 (8)	C12B—H12B	0.9500
Zn50—N336	2.072 (14)	C12B—C13B	1.373 (14)
Zn50—N337	2.055 (14)	C8D—C9D	1.397 (15)
Zn42—N343	2.039 (13)	C425—H425	0.9500
Zn42—N342	2.080 (13)	C425—C426	1.36 (2)
Zn36—N319	2.083 (12)	C330—H330	0.9500
Zn36—N318	2.087 (12)	C349—H349	0.9500
Zn35—N311^i	2.088 (15)	C355—H355	0.9500
Zn35—N317	2.059 (12)	C386—H386	0.9500
Zn35—I510	2.56 (2)	C386—C387	1.38 (2)
Zn35—I509	2.53 (2)	C437—H437	0.9500
Zn41—N335^i	2.084 (14)	C4E—C5E	1.386 (16)
Zn41—N341	2.070 (12)	C4E—C14E	1.51 (3)
Zn34—N312	2.077 (12)	C4E—C3E	1.392 (16)
Zn34—N313	2.061 (12)	C13B—H13B	0.9500
I314—Zn37	2.558 (8)	C392—H392	0.9500
Zn38—N348^ii	2.118 (16)	C438—H438	0.9500
Zn38—N329	2.047 (14)	C13A—H13A	0.9500
Zn32—N347^iii	2.053 (17)	C13A—C12A	1.381 (14)
Zn32—N305	2.053 (14)	C352—C353	1.40 (2)
Zn51—N323^ii	2.17 (2)	C389—H389	0.9500
Zn51—N301	2.060 (16)	C389—C390	1.40 (2)
Zn37—N324	2.031 (16)	C346—H346	0.9500
Zn37—N325	2.044 (15)	C404—H404	0.9500
N311—C329	1.31 (2)	C317—H317	0.9500
N311—C330	1.37 (2)	C440—H440	0.9500
N333—C396	1.305 (18)	O1F—C7F	1.227 (10)
N333—C397	1.339 (17)	C1D—C6D	1.395 (14)
N335—C401	1.34 (2)	C1D—C2D	1.376 (15)
N335—C402	1.33 (2)	C6B—H6B	0.9500
N334—C398	1.363 (19)	C6B—C1B	1.379 (13)
N334—C397	1.320 (18)	C6B—C5B	1.376 (13)
N310—C326	1.35 (2)	C303—C304	1.37 (2)
N310—C325	1.324 (18)	C5A—H5A	0.9500
N307—C323	1.344 (17)	C5A—C4A	1.380 (13)
N307—C319	1.325 (18)	C382—H382	0.9500
N312—C336	1.32 (2)	C6D—H6D	0.9500
N312—C332	1.352 (19)	C9A—H9A	0.9500
N306—C318	1.349 (18)	C9A—C10A	1.382 (14)
N306—C314	1.332 (17)	C4A—C14A	1.51 (2)
N331—C395	1.341 (18)	C4A—C3A	1.371 (13)
N331—C391	1.310 (19)	C3D—H3D	0.9500
N330—C386	1.334 (18)	C3D—C2D	1.386 (15)
N330—C390	1.318 (18)	C373—H373	0.9500
N336—C408	1.30 (2)	C9D—H9D	0.9500
N336—C404	1.367 (18)	C9D—C10D	1.388 (15)
N336—Zn40	2.074 (13)	C377—H377	0.9500
N336—Zn70	2.10 (7)	C377—C376	1.38 (2)
N309—C324	1.318 (18)	C443—H443	0.9500
N309—C325	1.346 (18)	C387—H387	0.9500
N304—C307	1.320 (17)	C310—H310	0.9500
N304—C308	1.342 (18)	C310—C311	1.43 (2)
N340—C415	1.338 (18)	C365—H365	0.9500
N340—C416	1.352 (18)	O1H—C7H	1.201 (17)
N316—C343	1.335 (17)	C1B—C7B	1.49 (2)
N316—C344	1.335 (18)	C1B—C2B	1.383 (13)
N326—C378	1.332 (17)	C14D—H14A	0.9800
N326—C380	1.328 (18)	C14D—H14B	0.9800
N308—C326	1.308 (18)	C14D—H14C	0.9800
N308—C324	1.369 (17)	C1A—C2A	1.386 (13)
N332—C398	1.314 (18)	C12A—H12A	0.9500
N332—C396	1.367 (17)	C12A—C11A	1.381 (14)
N348—C444	1.29 (2)	C376—H376	0.9500
N348—C440	1.34 (2)	C367—H367	0.9500
N348—Zn58^iv	1.95 (2)	C313—H313	0.9500
N322—C361	1.31 (2)	C313—C312	1.36 (2)
N322—C362	1.35 (2)	C3F—H3F	0.9500
N346—C434	1.31 (2)	C3F—C2F	1.373 (15)
N346—C433	1.33 (2)	C3F—C4F	1.387 (15)
N315—C343	1.372 (17)	C353—H353	0.9500
N315—C342	1.306 (17)	C353—C354	1.35 (2)
N303—C307	1.358 (19)	C402—H402	0.9500
N303—C306	1.331 (19)	C305—H305	0.9500
N328—C379	1.346 (17)	C305—C304	1.40 (2)
N328—C380	1.353 (17)	C5E—H5E	0.9500
N343—C427	1.34 (2)	C5E—C6E	1.391 (16)
N343—C431	1.34 (2)	C421—H421	0.9500
N343—Zn1	2.073 (16)	C2D—H2D	0.9500
N343—Zn82	1.9 (2)	C1F—C7F	1.477 (16)
N339—C415	1.359 (17)	C1F—C2F	1.377 (15)
N339—C414	1.306 (18)	C1F—C6F	1.384 (15)
N302—C306	1.341 (18)	C418—H418	0.9500
N302—C308	1.339 (18)	C390—H390	0.9500
N319—C359	1.35 (2)	C304—H304	0.9500
N319—C355	1.31 (2)	O1E—C7E	1.230 (15)
N319—Zn56	2.08 (2)	C354—H354	0.9500
N319—Zn76	2.68 (12)	C311—H311	0.9500
N327—C379	1.325 (18)	C2B—H2B	0.9500
N327—C378	1.333 (18)	C2B—C3B	1.373 (14)
N341—C419	1.323 (19)	C426—H426	0.9500
N341—C420	1.33 (2)	C9E—H9E	0.9500
N323—C366	1.30 (2)	C9E—C10E	1.377 (15)
N323—C365	1.33 (2)	C9E—C8E	1.386 (14)
N323—Zn31^iv	2.01 (2)	C11D—H11D	0.9500
C398—C406	1.476 (19)	C11D—C12D	1.394 (16)
N317—C347	1.346 (18)	C11D—C10D	1.388 (16)
N317—C348	1.32 (2)	C312—H312	0.9500
N338—C414	1.347 (17)	C12D—H12D	0.9500
N338—C416	1.337 (18)	C14A—H14D	0.9800
N344—C434	1.342 (19)	C14A—H14E	0.9800
N344—C432	1.36 (2)	C14A—H14F	0.9800
N321—C361	1.331 (19)	C11A—H11A	0.9500
N321—C360	1.33 (2)	C11A—C10A	1.371 (14)
N347—C437	1.36 (2)	C9B—H9B	0.9500
N347—C438	1.34 (2)	C9B—C10B	1.377 (14)
N347—Zn52^v	2.07 (4)	C3A—H3A	0.9500
C379—C381	1.496 (19)	C3A—C2A	1.372 (14)
C378—C375	1.505 (18)	C10E—H10E	0.9500
C326—C334	1.497 (19)	C10E—C11E	1.388 (15)
C395—H395	0.9500	C10B—H10B	0.9500
C395—C394	1.389 (19)	C6E—H6E	0.9500
N345—C433	1.349 (19)	C6E—C1E	1.395 (15)
N345—C432	1.34 (2)	C1E—C2E	1.395 (16)
O1D—C7D	1.227 (14)	C1E—C7E	1.492 (16)
N313—C337	1.324 (18)	C3B—H3B	0.9500
N313—C341	1.339 (18)	C10A—H10A	0.9500
N320—C362	1.356 (19)	C8G—C7G	1.503 (19)
N320—C360	1.32 (2)	C8G—C13G	1.391 (16)
C315—H315	0.9500	C8G—C9G	1.387 (16)
C315—C316	1.381 (19)	C13E—H13E	0.9500
C315—C314	1.371 (19)	C13E—C8E	1.388 (15)
C307—C309	1.480 (17)	C13E—C12E	1.388 (15)
C415—C417	1.480 (18)	C13H—H13H	0.9500
C323—H323	0.9500	C13H—C12H	1.397 (18)
C323—C322	1.387 (19)	C13H—C8H	1.389 (17)
C394—H394	0.9500	C8E—C7E	1.497 (15)
C394—C393	1.34 (2)	C5B—H5B	0.9500
C343—C345	1.466 (18)	C10D—H10D	0.9500
N337—C409	1.343 (17)	C7F—C8F	1.46 (2)
N337—C413	1.339 (17)	C11E—H11E	0.9500
N337—Zn40	2.066 (13)	C11E—C12E	1.387 (15)
N337—Zn70	2.07 (7)	C12E—H12E	0.9500
C322—H322	0.9500	C2E—H2E	0.9500
C322—C321	1.36 (2)	C2E—C3E	1.394 (17)
C396—C393	1.494 (19)	C6C—H6C	0.9500
N329—C384	1.349 (18)	C6C—C5C	1.384 (18)
N329—C383	1.336 (19)	C6C—C1C	1.394 (17)
N329—Zn58	2.048 (17)	C2C—H2C	0.9500
N314—C344	1.348 (18)	C2C—C3C	1.392 (18)
N314—C342	1.347 (17)	C2C—C1C	1.386 (17)
C405—H405	0.9500	C12C—H12C	0.9500
C405—C406	1.40 (2)	C12C—C13C	1.376 (17)
C405—C404	1.38 (2)	C12C—C11C	1.382 (17)
N324—C372	1.36 (2)	C8F—C13F	1.393 (16)
N324—C368	1.36 (2)	C8F—C9F	1.408 (16)
N324—Zn57	2.05 (2)	C2F—H2F	0.9500
C397—C399	1.49 (2)	C11G—H11G	0.9500
C429—C430	1.40 (2)	C11G—C12G	1.386 (17)
C429—C432	1.493 (19)	C11G—C10G	1.392 (17)
C429—C428	1.38 (2)	C2A—H2A	0.9500
N342—C422	1.349 (18)	O1G—C7G	1.232 (17)
N342—C426	1.347 (18)	C14B—H14G	0.9800
N342—Zn1	2.069 (15)	C14B—H14H	0.9800
N342—Zn82	2.0 (2)	C14B—H14I	0.9800
C399—C400	1.41 (2)	C13F—H13F	0.9500
C399—C403	1.38 (2)	C13F—C12F	1.383 (17)
N318—C350	1.327 (19)	C14E—H14J	0.9800
N318—C354	1.33 (2)	C14E—H14K	0.9800
N318—Zn56	2.09 (2)	C14E—H14L	0.9800
N318—Zn76	2.90 (16)	C9C—H9C	0.9500
C442—C434	1.47 (2)	C9C—C8C	1.380 (16)
C442—C441	1.35 (2)	C9C—C10C	1.382 (16)
C442—C443	1.41 (2)	C7G—C1G	1.501 (19)
C414—C411	1.515 (18)	C4C—C3C	1.400 (18)
C321—C324	1.471 (19)	C4C—C5C	1.393 (18)
C321—C320	1.413 (19)	C4C—C14C	1.48 (3)
C344—C352	1.481 (19)	C13C—H13C	0.9500
N325—C373	1.31 (3)	C13C—C8C	1.377 (16)
N325—C377	1.38 (2)	C3E—H3E	0.9500
N325—Zn57	2.076 (19)	C3H—H3H	0.9500
C409—H409	0.9500	C3H—C2H	1.385 (18)
C409—C410	1.368 (18)	C3H—C4H	1.375 (17)
C347—H347	0.9500	O1C—C7C	1.24 (3)
C347—C346	1.36 (2)	C8C—C7C	1.49 (2)
C325—C327	1.49 (2)	C9F—H9F	0.9500
O1A—C7A	1.228 (15)	C9F—C10F	1.377 (17)
C334—C333	1.36 (2)	C1G—C2G	1.383 (17)
C334—C335	1.40 (2)	C1G—C6G	1.379 (17)
C306—C303	1.50 (2)	C3C—H3C	0.9500
C416—C424	1.472 (18)	C4F—C5F	1.386 (16)
C333—H333	0.9500	C4F—C14F	1.494 (17)
C333—C332	1.38 (2)	C2H—H2H	0.9500
C342—C339	1.497 (18)	C2H—C1H	1.403 (17)
C4D—C5D	1.382 (15)	C4H—C5H	1.399 (17)
C4D—C3D	1.400 (15)	C4H—C14H	1.496 (10)
C4D—C14D	1.508 (16)	C13G—H13G	0.9500
C412—H412	0.9500	C13G—C12G	1.386 (17)
C412—C411	1.385 (19)	C9H—H9H	0.9500
C412—C413	1.379 (19)	C9H—C8H	1.388 (17)
C316—C308	1.476 (17)	C9H—C10H	1.389 (18)
C316—C317	1.376 (19)	C2G—H2G	0.9500
C400—H400	0.9500	C2G—C3G	1.380 (17)
C400—C401	1.34 (2)	C12H—H12H	0.9500
C430—H430	0.9500	C12H—C11H	1.398 (18)
C430—C431	1.37 (2)	C5F—H5F	0.9500
N305—C311	1.33 (3)	C5F—C6F	1.383 (15)
N305—C312	1.36 (2)	C12G—H12G	0.9500
N305—Zn52	2.05 (2)	C8H—C7H	1.483 (17)
C319—H319	0.9500	C5C—H5C	0.9500
C319—C320	1.37 (2)	C1H—C7H	1.486 (17)
C411—C410	1.357 (18)	C1H—C6H	1.380 (18)
C351—H351	0.9500	C4G—C5G	1.380 (17)
C351—C350	1.42 (2)	C4G—C3G	1.374 (17)
C351—C352	1.39 (2)	C4G—C14G	1.498 (18)
C401—H401	0.9500	C10C—H10C	0.9500
C331—H331	0.9500	C10C—C11C	1.379 (17)
C331—C327	1.38 (2)	C1C—C7C	1.49 (2)
C331—C330	1.34 (2)	C12F—H12F	0.9500
C433—C435	1.47 (2)	C12F—C11F	1.389 (17)
C357—C356	1.35 (2)	C10H—H10H	0.9500
C357—C358	1.41 (2)	C10H—C11H	1.399 (18)
C357—C360	1.491 (19)	C14F—H14M	0.9800
C361—C363	1.48 (2)	C14F—H14N	0.9800
C406—C407	1.403 (19)	C14F—H14O	0.9800
C337—H337	0.9500	C11F—H11F	0.9500
C337—C338	1.370 (19)	C11F—C10F	1.391 (17)
C372—H372	0.9500	C6G—H6G	0.9500
C372—C371	1.39 (2)	C6G—C5G	1.372 (17)
C339—C340	1.401 (18)	C5H—H5H	0.9500
C339—C338	1.357 (19)	C5H—C6H	1.387 (18)
C5D—H5D	0.9500	C10F—H10F	0.9500
C5D—C6D	1.406 (15)	C11C—H11C	0.9500
C363—C364	1.35 (2)	C6H—H6H	0.9500
C363—C367	1.39 (2)	C6F—H6F	0.9500
C328—H328	0.9500	C14C—H14V	0.9800
C328—C329	1.38 (2)	C14C—H14W	0.9800
C328—C327	1.41 (2)	C14C—H14X	0.9800
C340—H340	0.9500	C5G—H5G	0.9500
C340—C341	1.383 (19)	C9G—H9G	0.9500
C345—C349	1.423 (18)	C9G—C10G	1.392 (17)
C345—C346	1.393 (19)	C10G—H10G	0.9500
C336—H336	0.9500	I302—Zn31	2.541 (10)
C336—C335	1.36 (2)	Zn31—I301	2.542 (11)
C329—H329	0.9500	I516—Zn58	2.549 (13)
C380—C388	1.493 (17)	Zn58—I515	2.535 (15)
C393—C392	1.412 (19)	Zn40—I420	2.542 (7)
C388—C389	1.35 (2)	Zn40—I419	2.552 (7)
C388—C387	1.36 (2)	C4J—H4J	0.9500
C371—H371	0.9500	C4J—C5J	1.3900
C371—C370	1.38 (2)	C4J—C3J	1.3900
N301—C301	1.34 (2)	C5J—H5J	0.9500
N301—C305	1.326 (19)	C5J—C6J	1.3900
N301—Zn31	2.060 (16)	C6J—C1J	1.3900
C318—H318	0.9500	C6J—C7J	1.487 (17)
C318—C317	1.38 (2)	C1J—H1J	0.9500
C441—H441	0.9500	C1J—C2J	1.3900
C441—C440	1.40 (2)	C2J—H2J	0.9500
C408—H408	0.9500	C2J—C3J	1.3900
C408—C407	1.37 (2)	C3J—C14J	1.491 (19)
C385—H385	0.9500	Zn1—I524	2.532 (12)
C385—C381	1.39 (2)	Zn1—I523	2.541 (12)
C385—C384	1.40 (2)	I724—Zn82	2.525 (19)
C423—H423	0.9500	I723—Zn82	2.539 (19)
C423—C422	1.398 (19)	C11H—H11H	0.9500
C423—C424	1.38 (2)	C3G—H3G	0.9500
C413—H413	0.9500	C14H—H14P	0.9800
C427—H427	0.9500	C14H—H14Q	0.9800
C427—C428	1.41 (2)	C14H—H14R	0.9800
C8B—C13B	1.376 (13)	C9J—H9J	0.9500
C8B—C7B	1.47 (2)	C9J—C8J	1.384 (18)
C8B—C9B	1.381 (13)	C9J—C10J	1.388 (18)
C410—H410	0.9500	C12J—H12J	0.9500
C436—H436	0.9500	C12J—C13J	1.390 (18)
C436—C435	1.41 (2)	C12J—C11J	1.375 (18)
C436—C437	1.35 (3)	C13J—H13J	0.9500
C370—C362	1.46 (2)	C13J—C8J	1.380 (18)
C370—C369	1.42 (3)	C11J—H11J	0.9500
C417—C421	1.384 (19)	C11J—C10J	1.386 (18)
C417—C418	1.393 (19)	O1J—C7J	1.230 (10)
C364—H364	0.9500	C8J—C7J	1.475 (17)
C364—C365	1.36 (2)	C10J—H10J	0.9500
C403—H403	0.9500	C14G—H14S	0.9800
C403—C402	1.37 (2)	C14G—H14T	0.9800
C4B—C3B	1.386 (14)	C14G—H14U	0.9800
C4B—C5B	1.379 (13)	I511—Zn56	2.528 (19)
C4B—C14B	1.511 (16)	Zn56—I512	2.535 (19)
C332—H332	0.9500	I720—Zn70	2.530 (18)
C8A—C7A	1.490 (14)	Zn70—I719	2.549 (18)
C8A—C13A	1.388 (13)	C6I—H6I	0.9500
C8A—C9A	1.386 (14)	C6I—C5I	1.380 (18)
C439—H439	0.9500	C6I—C1I	1.386 (18)
C439—C435	1.37 (2)	C9I—H9I	0.9500
C439—C438	1.36 (2)	C9I—C8I	1.389 (18)
C6A—H6A	0.9500	C9I—C10I	1.384 (18)
C6A—C5A	1.377 (13)	C12I—H12I	0.9500
C6A—C1A	1.374 (13)	C12I—C13I	1.388 (19)
C422—H422	0.9500	C12I—C11I	1.388 (19)
C341—H341	0.9500	C5I—H5I	0.9500
C391—H391	0.9500	C5I—C4I	1.381 (18)
C391—C392	1.39 (2)	C4I—C3I	1.383 (18)
C375—C374	1.35 (2)	C4I—C14I	1.489 (18)
C375—C376	1.40 (2)	O1I—C7I	1.227 (18)
C424—C425	1.417 (18)	C13I—H13I	0.9500
C381—C382	1.395 (19)	C13I—C8I	1.387 (18)
O1B—C7B	1.24 (2)	C1I—C2I	1.376 (18)
C338—H338	0.9500	C1I—C7I	1.482 (18)
C431—H431	0.9500	C2I—H2I	0.9500
C13D—H13D	0.9500	C2I—C3I	1.373 (18)
C13D—C8D	1.399 (15)	C3I—H3I	0.9500
C13D—C12D	1.403 (15)	C8I—C7I	1.485 (18)
C356—H356	0.9500	C14I—H14Z	0.9800
C356—C355	1.38 (2)	C14I—H	0.9800
C7D—C8D	1.477 (14)	C14I—HA	0.9800
C7D—C1D	1.490 (15)	C11I—H11I	0.9500
C384—H384	0.9500	C11I—C10I	1.393 (18)
C368—H368	0.9500	C10I—H10I	0.9500
C368—C369	1.37 (3)	Zn76—I711	2.52 (2)
C335—H335	0.9500	Zn76—I712	2.54 (2)
C314—H314	0.9500	I503—Zn52	2.554 (16)
C359—H359	0.9500	I504—Zn52	2.561 (15)
C359—C358	1.38 (2)	I514—Zn57	2.580 (14)
C444—H444	0.9500	Zn57—I513	2.536 (13)
C444—C443	1.39 (3)	C14J—H14Y	0.9800
C350—H350	0.9500	C14J—HB	0.9800
C7A—C1A	1.481 (14)	C14J—HC	0.9800
I318—Zn39—I317	126.21 (8)	C348—C349—C345	118.2 (14)
N331—Zn39—I317	107.6 (3)	C348—C349—H349	120.9
N331—Zn39—I318	109.9 (3)	N319—C355—C356	122.7 (17)
N330—Zn39—I317	106.7 (4)	N319—C355—H355	118.7
N330—Zn39—I318	105.4 (4)	C356—C355—H355	118.7
N330—Zn39—N331	97.1 (4)	N330—C386—H386	118.5
I305—Zn33—I306	126.13 (8)	N330—C386—C387	123.0 (14)
N307—Zn33—I306	106.4 (3)	C387—C386—H386	118.5
N307—Zn33—I305	110.0 (3)	N347—C437—H437	118.3
N306—Zn33—I306	108.0 (3)	C436—C437—N347	123.3 (17)
N306—Zn33—I305	105.5 (4)	C436—C437—H437	118.3
N306—Zn33—N307	96.8 (4)	C5E—C4E—C14E	119.7 (18)
I520—Zn50—I519	122.8 (5)	C5E—C4E—C3E	119.4 (14)
N336—Zn50—I519	109.0 (5)	C3E—C4E—C14E	120.8 (19)
N336—Zn50—I520	106.0 (5)	C8B—C13B—H13B	120.1
N337—Zn50—I519	106.1 (5)	C12B—C13B—C8B	119.9 (13)
N337—Zn50—I520	111.0 (6)	C12B—C13B—H13B	120.1
N337—Zn50—N336	99.4 (6)	C393—C392—H392	121.7
I324—Zn42—I323	124.7 (3)	C391—C392—C393	116.6 (15)
N343—Zn42—I323	108.9 (5)	C391—C392—H392	121.7
N343—Zn42—I324	105.7 (5)	N347—C438—C439	124.8 (16)
N343—Zn42—N342	97.5 (5)	N347—C438—H438	117.6
N342—Zn42—I323	107.2 (5)	C439—C438—H438	117.6
N342—Zn42—I324	109.5 (5)	N321—C360—C357	118.0 (14)
I311—Zn36—I312	123.95 (9)	N320—C360—N321	124.9 (13)
N319—Zn36—I311	108.9 (4)	N320—C360—C357	117.0 (14)
N319—Zn36—I312	105.7 (4)	C8A—C13A—H13A	119.4
N319—Zn36—N318	96.1 (5)	C12A—C13A—C8A	121.3 (15)
N318—Zn36—I311	108.8 (5)	C12A—C13A—H13A	119.4
N318—Zn36—I312	109.8 (4)	C351—C352—C344	121.9 (13)
I309—Zn35—I310	122.54 (8)	C351—C352—C353	117.8 (13)
N311^i—Zn35—I310	106.4 (3)	C353—C352—C344	120.3 (13)
N311^i—Zn35—I309	106.3 (3)	C388—C389—H389	119.8
N311^i—Zn35—I510	83 (2)	C388—C389—C390	120.3 (14)
N311^i—Zn35—I509	85 (2)	C390—C389—H389	119.8
N317—Zn35—I310	107.2 (3)	C347—C346—C345	119.6 (13)
N317—Zn35—I309	110.6 (4)	C347—C346—H346	120.2
N317—Zn35—N311^i	101.8 (5)	C345—C346—H346	120.2
N317—Zn35—I510	113.1 (19)	N336—C404—C405	119.2 (15)
N317—Zn35—I509	116.6 (19)	N336—C404—H404	120.4
I509—Zn35—I510	130 (3)	C405—C404—H404	120.4
I321—Zn41—I322	122.78 (8)	C316—C317—C318	119.5 (14)
N335^i—Zn41—I322	106.7 (3)	C316—C317—H317	120.3
N335^i—Zn41—I321	106.1 (3)	C318—C317—H317	120.3
N341—Zn41—I322	105.8 (4)	N348—C440—C441	119.8 (17)
N341—Zn41—I321	112.3 (4)	N348—C440—H440	120.1
N341—Zn41—N335^i	100.9 (5)	C441—C440—H440	120.1
I308—Zn34—I307	122.70 (9)	C6D—C1D—C7D	121.6 (12)
N312—Zn34—I307	110.5 (4)	C2D—C1D—C7D	118.4 (12)
N312—Zn34—I308	103.1 (4)	C2D—C1D—C6D	119.9 (13)
N313—Zn34—I307	109.2 (4)	C1B—C6B—H6B	119.6
N313—Zn34—I308	109.4 (4)	C5B—C6B—H6B	119.6
N313—Zn34—N312	99.3 (5)	C5B—C6B—C1B	120.7 (12)
I315—Zn38—I316	127.5 (2)	C302—C303—C306	121.0 (14)
N348^ii—Zn38—I316	103.8 (4)	C304—C303—C306	118.8 (13)
N348^ii—Zn38—I315	110.6 (5)	C304—C303—C302	120.3 (15)
N329—Zn38—I316	107.3 (4)	C6A—C5A—H5A	120.0
N329—Zn38—I315	105.2 (5)	C6A—C5A—C4A	120.0 (13)
N329—Zn38—N348^ii	98.8 (5)	C4A—C5A—H5A	120.0
I303—Zn32—I304	124.1 (3)	C381—C382—H382	121.1
N347^iii—Zn32—I304	104.0 (5)	C383—C382—C381	117.9 (14)
N347^iii—Zn32—I303	107.0 (5)	C383—C382—H382	121.1
N347^iii—Zn32—N305	106.0 (7)	C5D—C6D—H6D	120.9
N305—Zn32—I304	106.7 (5)	C1D—C6D—C5D	118.1 (12)
N305—Zn32—I303	107.8 (5)	C1D—C6D—H6D	120.9
I502—Zn51—I501	127.1 (6)	C8A—C9A—H9A	119.5
N323^ii—Zn51—I502	104.7 (6)	C10A—C9A—C8A	121.0 (14)
N323^ii—Zn51—I501	110.1 (7)	C10A—C9A—H9A	119.5
N301—Zn51—I502	105.8 (6)	C5A—C4A—C14A	120.1 (14)
N301—Zn51—I501	106.8 (7)	C3A—C4A—C5A	119.0 (13)
N301—Zn51—N323^ii	98.5 (8)	C3A—C4A—C14A	120.9 (14)
I313—Zn37—I314	126.1 (4)	C4D—C3D—H3D	120.1
N324—Zn37—I313	100.6 (7)	C2D—C3D—C4D	119.8 (13)
N324—Zn37—I314	106.1 (6)	C2D—C3D—H3D	120.1
N324—Zn37—N325	106.3 (7)	N325—C373—C374	121.3 (18)
N325—Zn37—I313	105.3 (6)	N325—C373—H373	119.3
N325—Zn37—I314	110.6 (6)	C374—C373—H373	119.3
C329—N311—Zn35^vi	120.5 (11)	C8D—C9D—H9D	120.0
C329—N311—C330	118.8 (15)	C10D—C9D—C8D	120.0 (14)
C330—N311—Zn35^vi	120.4 (11)	C10D—C9D—H9D	120.0
C396—N333—C397	114.5 (12)	N325—C377—H377	118.2
C401—N335—Zn41^vi	121.6 (11)	N325—C377—C376	123.7 (18)
C402—N335—Zn41^vi	120.6 (11)	C376—C377—H377	118.2
C402—N335—C401	117.3 (15)	C442—C443—H443	121.5
C397—N334—C398	113.8 (12)	C444—C443—C442	117.0 (18)
C325—N310—C326	114.0 (12)	C444—C443—H443	121.5
C323—N307—Zn33	122.0 (10)	C388—C387—C386	119.5 (14)
C319—N307—Zn33	119.0 (9)	C388—C387—H387	120.2
C319—N307—C323	118.8 (12)	C386—C387—H387	120.2
C336—N312—Zn34	119.7 (10)	C309—C310—H310	120.0
C336—N312—C332	118.2 (13)	C309—C310—C311	119.9 (18)
C332—N312—Zn34	121.8 (12)	C311—C310—H310	120.0
C318—N306—Zn33	118.1 (9)	N323—C365—C364	120.7 (18)
C314—N306—Zn33	125.1 (9)	N323—C365—H365	119.7
C314—N306—C318	116.8 (12)	C364—C365—H365	119.7
C395—N331—Zn39	121.6 (10)	C6B—C1B—C7B	124.0 (14)
C391—N331—Zn39	118.5 (9)	C6B—C1B—C2B	118.6 (11)
C391—N331—C395	119.8 (12)	C2B—C1B—C7B	117.2 (14)
C386—N330—Zn39	120.1 (10)	C4D—C14D—H14A	109.5
C390—N330—Zn39	122.5 (10)	C4D—C14D—H14B	109.5
C390—N330—C386	117.3 (13)	C4D—C14D—H14C	109.5
C408—N336—Zn50	118.9 (10)	H14A—C14D—H14B	109.5
C408—N336—C404	120.2 (13)	H14A—C14D—H14C	109.5
C408—N336—Zn40	120.2 (10)	H14B—C14D—H14C	109.5
C408—N336—Zn70	131.4 (17)	C6A—C1A—C7A	123.7 (13)
C404—N336—Zn50	120.8 (11)	C6A—C1A—C2A	119.1 (13)
C404—N336—Zn40	119.6 (11)	C2A—C1A—C7A	117.0 (12)
C404—N336—Zn70	107.9 (17)	C13A—C12A—H12A	120.0
C324—N309—C325	114.4 (12)	C13A—C12A—C11A	120.1 (17)
C307—N304—C308	113.7 (11)	C11A—C12A—H12A	120.0
C415—N340—C416	114.2 (11)	C375—C376—H376	121.3
C344—N316—C343	115.1 (12)	C377—C376—C375	117.5 (16)
C380—N326—C378	113.0 (11)	C377—C376—H376	121.3
C326—N308—C324	115.0 (13)	C363—C367—C366	115.4 (19)
C398—N332—C396	114.2 (13)	C363—C367—H367	122.3
C444—N348—Zn38^iv	120.1 (11)	C366—C367—H367	122.3
C444—N348—C440	119.5 (16)	C309—C313—H313	119.7
C444—N348—Zn58^iv	114.3 (12)	C312—C313—C309	120.7 (16)
C440—N348—Zn38^iv	120.3 (13)	C312—C313—H313	119.7
C440—N348—Zn58^iv	126.1 (15)	C2F—C3F—H3F	119.1
C361—N322—C362	115.3 (13)	C2F—C3F—C4F	121.9 (17)
C434—N346—C433	116.1 (13)	C4F—C3F—H3F	119.1
C342—N315—C343	114.3 (11)	C352—C353—H353	120.0
C306—N303—C307	113.2 (12)	C354—C353—C352	120.0 (14)
C379—N328—C380	112.5 (11)	C354—C353—H353	120.0
C427—N343—Zn42	118.1 (11)	N335—C402—C403	123.6 (16)
C427—N343—Zn1	115.6 (11)	N335—C402—H402	118.2
C427—N343—Zn82	131 (5)	C403—C402—H402	118.2
C431—N343—Zn42	123.6 (12)	N301—C305—H305	117.5
C431—N343—C427	117.1 (14)	N301—C305—C304	125.0 (16)
C431—N343—Zn1	126.2 (12)	C304—C305—H305	117.5
C431—N343—Zn82	107 (4)	C4E—C5E—H5E	119.4
C414—N339—C415	114.3 (11)	C4E—C5E—C6E	121.2 (13)
C308—N302—C306	113.4 (12)	C6E—C5E—H5E	119.4
C359—N319—Zn36	117.8 (11)	C417—C421—H421	121.0
C359—N319—Zn56	105.8 (14)	C420—C421—C417	117.9 (14)
C359—N319—Zn76	148 (2)	C420—C421—H421	121.0
C355—N319—Zn36	123.2 (12)	C1D—C2D—C3D	121.5 (13)
C355—N319—C359	118.2 (14)	C1D—C2D—H2D	119.3
C355—N319—Zn56	135.4 (15)	C3D—C2D—H2D	119.3
C355—N319—Zn76	94 (2)	C2F—C1F—C7F	121.4 (15)
C379—N327—C378	114.4 (12)	C2F—C1F—C6F	117.7 (13)
C419—N341—Zn41	125.1 (10)	C6F—C1F—C7F	120.8 (14)
C419—N341—C420	117.4 (12)	C417—C418—H418	120.1
C420—N341—Zn41	117.5 (10)	C419—C418—C417	119.9 (14)
C366—N323—Zn51^iv	122.6 (11)	C419—C418—H418	120.1
C366—N323—C365	118.4 (16)	C8B—C7B—C1B	121.9 (15)
C366—N323—Zn31^iv	113.5 (12)	O1B—C7B—C8B	120.3 (17)
C365—N323—Zn51^iv	118.9 (14)	O1B—C7B—C1B	117.8 (17)
C365—N323—Zn31^iv	128.1 (15)	N330—C390—C389	121.9 (14)
N334—C398—C406	116.7 (12)	N330—C390—H390	119.0
N332—C398—N334	125.3 (12)	C389—C390—H390	119.0
N332—C398—C406	117.9 (14)	C303—C304—C305	116.1 (16)
C347—N317—Zn35	123.2 (10)	C303—C304—H304	121.9
C348—N317—Zn35	120.2 (10)	C305—C304—H304	121.9
C348—N317—C347	116.6 (13)	N318—C354—C353	123.1 (14)
C416—N338—C414	114.3 (12)	N318—C354—H354	118.4
C434—N344—C432	112.3 (14)	C353—C354—H354	118.4
C360—N321—C361	114.8 (14)	N305—C311—C310	120.9 (18)
Zn32^v—N347—Zn52^v	4.0 (6)	N305—C311—H311	119.5
C437—N347—Zn32^v	119.6 (13)	C310—C311—H311	119.5
C437—N347—Zn52^v	122.4 (13)	C1B—C2B—H2B	119.8
C438—N347—Zn32^v	123.6 (12)	C3B—C2B—C1B	120.4 (12)
C438—N347—C437	116.0 (15)	C3B—C2B—H2B	119.8
C438—N347—Zn52^v	120.3 (12)	N342—C426—C425	123.9 (13)
N328—C379—C381	114.7 (11)	N342—C426—H426	118.0
N327—C379—N328	126.2 (13)	C425—C426—H426	118.0
N327—C379—C381	119.1 (12)	C10E—C9E—H9E	120.0
N326—C378—N327	126.6 (12)	C10E—C9E—C8E	120.1 (16)
N326—C378—C375	116.7 (12)	C8E—C9E—H9E	120.0
N327—C378—C375	116.7 (12)	C12D—C11D—H11D	119.9
N310—C326—C334	117.4 (13)	C10D—C11D—H11D	119.9
N308—C326—N310	125.7 (13)	C10D—C11D—C12D	120.3 (15)
N308—C326—C334	116.9 (14)	N305—C312—H312	118.7
N331—C395—H395	120.0	C313—C312—N305	122.6 (18)
N331—C395—C394	120.0 (14)	C313—C312—H312	118.7
C394—C395—H395	120.0	C13D—C12D—H12D	120.5
C432—N345—C433	114.6 (14)	C11D—C12D—C13D	118.9 (15)
C337—N313—Zn34	119.7 (10)	C11D—C12D—H12D	120.5
C337—N313—C341	118.2 (12)	C4A—C14A—H14D	109.5
C341—N313—Zn34	122.0 (9)	C4A—C14A—H14E	109.5
C360—N320—C362	115.3 (14)	C4A—C14A—H14F	109.5
C316—C315—H315	120.2	H14D—C14A—H14E	109.5
C314—C315—H315	120.2	H14D—C14A—H14F	109.5
C314—C315—C316	119.5 (12)	H14E—C14A—H14F	109.5
N304—C307—N303	126.5 (12)	C12A—C11A—H11A	120.3
N304—C307—C309	116.4 (12)	C10A—C11A—C12A	119.3 (18)
N303—C307—C309	117.1 (12)	C10A—C11A—H11A	120.3
N340—C415—N339	125.3 (12)	C8B—C9B—H9B	120.3
N340—C415—C417	115.3 (11)	C10B—C9B—C8B	119.4 (15)
N339—C415—C417	119.3 (12)	C10B—C9B—H9B	120.3
N307—C323—H323	119.4	C4A—C3A—H3A	119.4
N307—C323—C322	121.3 (14)	C4A—C3A—C2A	121.3 (13)
C322—C323—H323	119.4	C2A—C3A—H3A	119.4
C395—C394—H394	119.6	C9E—C10E—H10E	120.2
C393—C394—C395	120.9 (13)	C9E—C10E—C11E	119.6 (19)
C393—C394—H394	119.6	C11E—C10E—H10E	120.2
N316—C343—N315	124.7 (12)	C11B—C10B—H10B	119.4
N316—C343—C345	116.5 (12)	C9B—C10B—C11B	121.2 (17)
N315—C343—C345	118.8 (12)	C9B—C10B—H10B	119.4
C409—N337—Zn50	120.1 (9)	C5E—C6E—H6E	120.1
C409—N337—Zn40	119.6 (9)	C5E—C6E—C1E	119.8 (13)
C409—N337—Zn70	110.1 (17)	C1E—C6E—H6E	120.1
C413—N337—Zn50	121.4 (9)	C6E—C1E—C2E	118.7 (13)
C413—N337—C409	118.4 (12)	C6E—C1E—C7E	122.6 (15)
C413—N337—Zn40	121.9 (9)	C2E—C1E—C7E	118.5 (15)
C413—N337—Zn70	129 (2)	C4B—C3B—H3B	119.5
C323—C322—H322	120.1	C2B—C3B—C4B	121.0 (13)
C321—C322—C323	119.8 (13)	C2B—C3B—H3B	119.5
C321—C322—H322	120.1	C9A—C10A—H10A	119.9
N333—C396—N332	125.7 (13)	C11A—C10A—C9A	120.3 (16)
N333—C396—C393	118.7 (12)	C11A—C10A—H10A	119.9
N332—C396—C393	115.7 (13)	C13G—C8G—C7G	117.8 (17)
C384—N329—Zn38	123.1 (10)	C9G—C8G—C7G	122.8 (16)
C384—N329—Zn58	121.3 (11)	C9G—C8G—C13G	118.8 (18)
C383—N329—Zn38	119.1 (10)	C8E—C13E—H13E	119.7
C383—N329—C384	116.9 (13)	C8E—C13E—C12E	120.6 (17)
C383—N329—Zn58	121.8 (10)	C12E—C13E—H13E	119.7
C342—N314—C344	114.3 (12)	C12H—C13H—H13H	119.9
C406—C405—H405	119.6	C8H—C13H—H13H	119.9
C404—C405—H405	119.6	C8H—C13H—C12H	120.2 (18)
C404—C405—C406	120.9 (14)	C9E—C8E—C13E	120.0 (13)
C372—N324—Zn37	118.0 (13)	C9E—C8E—C7E	122.5 (15)
C372—N324—C368	117.6 (15)	C13E—C8E—C7E	117.6 (13)
C372—N324—Zn57	126.7 (13)	C4B—C5B—H5B	119.5
C368—N324—Zn37	123.5 (14)	C6B—C5B—C4B	120.9 (12)
C368—N324—Zn57	115.6 (14)	C6B—C5B—H5B	119.5
N333—C397—C399	118.3 (12)	C9D—C10D—C11D	120.7 (14)
N334—C397—N333	126.3 (14)	C9D—C10D—H10D	119.7
N334—C397—C399	115.3 (12)	C11D—C10D—H10D	119.7
C430—C429—C432	121.9 (14)	O1F—C7F—C1F	118.7 (17)
C428—C429—C430	118.9 (14)	O1F—C7F—C8F	119.2 (16)
C428—C429—C432	119.2 (15)	C8F—C7F—C1F	122.1 (13)
C422—N342—Zn42	121.4 (10)	C10E—C11E—H11E	119.4
C422—N342—Zn1	120.0 (10)	C12E—C11E—C10E	121 (2)
C422—N342—Zn82	130 (6)	C12E—C11E—H11E	119.4
C426—N342—Zn42	120.8 (9)	C13E—C12E—H12E	120.8
C426—N342—C422	117.4 (12)	C11E—C12E—C13E	118 (2)
C426—N342—Zn1	122.4 (10)	C11E—C12E—H12E	120.8
C426—N342—Zn82	108 (4)	C1E—C2E—H2E	119.4
C400—C399—C397	121.2 (13)	C3E—C2E—C1E	121.3 (14)
C403—C399—C397	121.4 (13)	C3E—C2E—H2E	119.4
C403—C399—C400	117.3 (15)	C5C—C6C—H6C	120.6
C350—N318—Zn36	121.5 (10)	C5C—C6C—C1C	119 (2)
C350—N318—C354	118.5 (13)	C1C—C6C—H6C	120.6
C350—N318—Zn56	118.9 (12)	C3C—C2C—H2C	119.7
C350—N318—Zn76	119 (3)	C1C—C2C—H2C	119.7
C354—N318—Zn36	119.6 (10)	C1C—C2C—C3C	121 (2)
C354—N318—Zn56	122.4 (11)	C13C—C12C—H12C	120.3
C354—N318—Zn76	111 (3)	C13C—C12C—C11C	119 (3)
C441—C442—C434	122.6 (13)	C11C—C12C—H12C	120.3
C441—C442—C443	118.1 (15)	C13F—C8F—C7F	118.9 (16)
C443—C442—C434	119.2 (16)	C13F—C8F—C9F	119.3 (15)
N339—C414—N338	126.6 (12)	C9F—C8F—C7F	121.6 (16)
N339—C414—C411	116.8 (12)	C3F—C2F—C1F	120.9 (16)
N338—C414—C411	116.6 (12)	C3F—C2F—H2F	119.5
C322—C321—C324	121.7 (12)	C1F—C2F—H2F	119.5
C322—C321—C320	118.8 (13)	O1E—C7E—C1E	119.4 (15)
C320—C321—C324	119.5 (13)	O1E—C7E—C8E	119.6 (14)
N316—C344—N314	125.1 (13)	C1E—C7E—C8E	120.9 (13)
N316—C344—C352	115.7 (12)	C12G—C11G—H11G	120.5
N314—C344—C352	119.2 (12)	C12G—C11G—C10G	119.0 (15)
C373—N325—Zn37	126.5 (13)	C10G—C11G—H11G	120.5
C373—N325—C377	118.1 (15)	C1A—C2A—H2A	120.2
C373—N325—Zn57	115.7 (13)	C3A—C2A—C1A	119.6 (13)
C377—N325—Zn37	115.2 (13)	C3A—C2A—H2A	120.2
C377—N325—Zn57	125.7 (14)	C4B—C14B—H14G	109.5
N337—C409—H409	118.8	C4B—C14B—H14H	109.5
N337—C409—C410	122.3 (12)	C4B—C14B—H14I	109.5
C410—C409—H409	118.8	H14G—C14B—H14H	109.5
N309—C324—N308	124.5 (13)	H14G—C14B—H14I	109.5
N309—C324—C321	119.1 (12)	H14H—C14B—H14I	109.5
N308—C324—C321	116.4 (13)	C8F—C13F—H13F	119.7
N317—C347—H347	118.2	C12F—C13F—C8F	120.6 (16)
N317—C347—C346	123.6 (13)	C12F—C13F—H13F	119.7
C346—C347—H347	118.2	C4E—C14E—H14J	109.5
N310—C325—N309	126.2 (14)	C4E—C14E—H14K	109.5
N310—C325—C327	116.6 (13)	C4E—C14E—H14L	109.5
N309—C325—C327	117.2 (12)	H14J—C14E—H14K	109.5
C333—C334—C326	120.4 (13)	H14J—C14E—H14L	109.5
C333—C334—C335	119.5 (14)	H14K—C14E—H14L	109.5
C335—C334—C326	120.1 (16)	C8C—C9C—H9C	119.8
N346—C434—N344	126.8 (15)	C8C—C9C—C10C	120 (2)
N346—C434—C442	118.0 (13)	C10C—C9C—H9C	119.8
N344—C434—C442	115.0 (15)	O1G—C7G—C8G	119.1 (18)
N303—C306—N302	126.6 (14)	O1G—C7G—C1G	120.0 (19)
N303—C306—C303	117.7 (13)	C1G—C7G—C8G	120.9 (16)
N302—C306—C303	115.6 (13)	C3C—C4C—C14C	121 (2)
N340—C416—C424	116.1 (12)	C5C—C4C—C3C	118 (2)
N338—C416—N340	125.2 (12)	C5C—C4C—C14C	121 (2)
N338—C416—C424	118.6 (12)	C12C—C13C—H13C	119.3
C334—C333—H333	119.9	C12C—C13C—C8C	121 (3)
C334—C333—C332	120.2 (14)	C8C—C13C—H13C	119.3
C332—C333—H333	119.9	C4E—C3E—C2E	119.3 (14)
N315—C342—N314	126.4 (12)	C4E—C3E—H3E	120.3
N315—C342—C339	116.4 (11)	C2E—C3E—H3E	120.3
N314—C342—C339	117.1 (12)	C2H—C3H—H3H	120.6
C5D—C4D—C3D	118.3 (13)	C4H—C3H—H3H	120.6
C5D—C4D—C14D	120.5 (16)	C4H—C3H—C2H	119 (2)
C3D—C4D—C14D	121.2 (16)	C9C—C8C—C7C	121 (2)
C411—C412—H412	121.0	C13C—C8C—C9C	119 (2)
C413—C412—H412	121.0	C13C—C8C—C7C	120 (2)
C413—C412—C411	118.1 (12)	C8F—C9F—H9F	120.2
C315—C316—C308	121.6 (12)	C10F—C9F—C8F	119.5 (16)
C317—C316—C315	117.8 (12)	C10F—C9F—H9F	120.2
C317—C316—C308	120.6 (13)	C2G—C1G—C7G	115.2 (17)
C399—C400—H400	120.1	C6G—C1G—C7G	126.6 (17)
C401—C400—C399	119.8 (15)	C6G—C1G—C2G	118.1 (14)
C401—C400—H400	120.1	C2C—C3C—C4C	120 (2)
C429—C430—H430	120.7	C2C—C3C—H3C	119.9
C431—C430—C429	118.5 (16)	C4C—C3C—H3C	119.9
C431—C430—H430	120.7	C3F—C4F—C14F	125.9 (19)
C311—N305—Zn32	120.9 (12)	C5F—C4F—C3F	117.3 (18)
C311—N305—C312	118.5 (15)	C5F—C4F—C14F	116.5 (18)
C311—N305—Zn52	124.9 (13)	C3H—C2H—H2H	119.2
C312—N305—Zn32	120.5 (12)	C3H—C2H—C1H	122 (2)
C312—N305—Zn52	116.5 (13)	C1H—C2H—H2H	119.2
N307—C319—H319	118.1	C3H—C4H—C5H	120.4 (19)
N307—C319—C320	123.8 (13)	C3H—C4H—C14H	121.5 (17)
C320—C319—H319	118.1	C5H—C4H—C14H	118.0 (16)
C412—C411—C414	119.7 (12)	C8G—C13G—H13G	119.0
C410—C411—C414	120.3 (12)	C12G—C13G—C8G	122.0 (19)
C410—C411—C412	120.0 (12)	C12G—C13G—H13G	119.0
C350—C351—H351	121.1	C8H—C9H—H9H	119.2
C352—C351—H351	121.1	C8H—C9H—C10H	121.7 (18)
C352—C351—C350	117.9 (13)	C10H—C9H—H9H	119.2
N335—C401—H401	118.5	C1G—C2G—H2G	119.9
C400—C401—N335	123.1 (15)	C3G—C2G—C1G	120.2 (15)
C400—C401—H401	118.5	C3G—C2G—H2G	119.9
C327—C331—H331	119.7	C13H—C12H—H12H	119.6
C330—C331—H331	119.7	C13H—C12H—C11H	120.8 (16)
C330—C331—C327	120.5 (15)	C11H—C12H—H12H	119.6
N346—C433—N345	123.8 (15)	C4F—C5F—H5F	119.7
N346—C433—C435	120.2 (14)	C6F—C5F—C4F	120.5 (18)
N345—C433—C435	116.0 (15)	C6F—C5F—H5F	119.7
C356—C357—C358	118.9 (14)	C11G—C12G—C13G	119.3 (17)
C356—C357—C360	122.6 (15)	C11G—C12G—H12G	120.4
C358—C357—C360	118.5 (15)	C13G—C12G—H12G	120.4
N322—C361—N321	125.8 (15)	C13H—C8H—C7H	117.8 (18)
N322—C361—C363	117.1 (13)	C9H—C8H—C13H	118.8 (17)
N321—C361—C363	117.0 (15)	C9H—C8H—C7H	123.3 (18)
C405—C406—C398	120.5 (13)	C6C—C5C—C4C	122 (2)
C405—C406—C407	117.8 (13)	C6C—C5C—H5C	118.8
C407—C406—C398	121.7 (15)	C4C—C5C—H5C	118.8
N313—C337—H337	118.1	C2H—C1H—C7H	119 (2)
N313—C337—C338	123.8 (13)	C6H—C1H—C2H	119 (2)
C338—C337—H337	118.1	C6H—C1H—C7H	121.6 (18)
N324—C372—H372	118.7	C5G—C4G—C14G	121 (2)
N324—C372—C371	122.7 (16)	C3G—C4G—C5G	118.4 (15)
C371—C372—H372	118.7	C3G—C4G—C14G	120 (2)
C340—C339—C342	118.9 (12)	C9C—C10C—H10C	119.9
C338—C339—C342	121.1 (12)	C11C—C10C—C9C	120 (3)
C338—C339—C340	120.0 (13)	C11C—C10C—H10C	119.9
C4D—C5D—H5D	118.9	C6C—C1C—C7C	121.3 (18)
C4D—C5D—C6D	122.3 (13)	C2C—C1C—C6C	120 (2)
C6D—C5D—H5D	118.9	C2C—C1C—C7C	118.6 (19)
C364—C363—C361	123.7 (13)	C13F—C12F—H12F	120.0
C364—C363—C367	118.5 (16)	C13F—C12F—C11F	119.9 (18)
C367—C363—C361	117.6 (17)	C11F—C12F—H12F	120.0
C329—C328—H328	120.2	C9H—C10H—H10H	120.2
C329—C328—C327	119.6 (15)	C9H—C10H—C11H	119.7 (16)
C327—C328—H328	120.2	C11H—C10H—H10H	120.2
C339—C340—H340	121.2	C4F—C14F—H14M	109.5
C341—C340—C339	117.5 (13)	C4F—C14F—H14N	109.5
C341—C340—H340	121.2	C4F—C14F—H14O	109.5
C349—C345—C343	120.0 (12)	H14M—C14F—H14N	109.5
C346—C345—C343	123.2 (12)	H14M—C14F—H14O	109.5
C346—C345—C349	116.8 (13)	H14N—C14F—H14O	109.5
N312—C336—H336	117.5	O1H—C7H—C8H	118.8 (18)
N312—C336—C335	124.9 (15)	O1H—C7H—C1H	120 (2)
C335—C336—H336	117.5	C8H—C7H—C1H	121.0 (17)
N311—C329—C328	122.0 (15)	C12F—C11F—H11F	120.1
N311—C329—H329	119.0	C12F—C11F—C10F	119.8 (17)
C328—C329—H329	119.0	C10F—C11F—H11F	120.1
N326—C380—N328	127.3 (12)	C1G—C6G—H6G	119.2
N326—C380—C388	117.1 (12)	C5G—C6G—C1G	121.5 (15)
N328—C380—C388	115.6 (12)	C5G—C6G—H6G	119.2
C394—C393—C396	122.0 (12)	C4H—C5H—H5H	119.8
C394—C393—C392	119.1 (13)	C6H—C5H—C4H	120 (2)
C392—C393—C396	118.8 (13)	C6H—C5H—H5H	119.8
C389—C388—C380	122.6 (13)	C9F—C10F—C11F	120.8 (17)
C389—C388—C387	117.8 (13)	C9F—C10F—H10F	119.6
C387—C388—C380	119.6 (13)	C11F—C10F—H10F	119.6
C372—C371—H371	120.0	C12C—C11C—H11C	120.1
C370—C371—C372	120.0 (18)	C10C—C11C—C12C	120 (3)
C370—C371—H371	120.0	C10C—C11C—H11C	120.1
C301—N301—Zn51	118.3 (11)	C1H—C6H—C5H	120 (2)
C301—N301—Zn31	123.0 (11)	C1H—C6H—H6H	120.0
C305—N301—Zn51	123.3 (12)	C5H—C6H—H6H	120.0
C305—N301—C301	117.2 (14)	C1F—C6F—H6F	119.2
C305—N301—Zn31	119.7 (12)	C5F—C6F—C1F	121.6 (16)
N306—C318—H318	118.5	C5F—C6F—H6F	119.2
N306—C318—C317	122.9 (13)	C4C—C14C—H14V	109.5
C317—C318—H318	118.5	C4C—C14C—H14W	109.5
C442—C441—H441	119.4	C4C—C14C—H14X	109.5
C442—C441—C440	121.1 (14)	H14V—C14C—H14W	109.5
C440—C441—H441	119.4	H14V—C14C—H14X	109.5
N336—C408—H408	118.0	H14W—C14C—H14X	109.5
N336—C408—C407	124.0 (14)	O1C—C7C—C8C	121.0 (18)
C407—C408—H408	118.0	O1C—C7C—C1C	117.0 (18)
C381—C385—H385	121.7	C1C—C7C—C8C	122 (2)
C381—C385—C384	116.6 (14)	C4G—C5G—H5G	119.8
C384—C385—H385	121.7	C6G—C5G—C4G	120.4 (16)
C422—C423—H423	120.4	C6G—C5G—H5G	119.8
C424—C423—H423	120.4	C8G—C9G—H9G	120.3
C424—C423—C422	119.1 (13)	C8G—C9G—C10G	119.3 (16)
N337—C413—C412	122.1 (12)	C10G—C9G—H9G	120.3
N337—C413—H413	118.9	C11G—C10G—H10G	119.2
C412—C413—H413	118.9	C9G—C10G—C11G	121.6 (15)
N343—C427—H427	118.3	C9G—C10G—H10G	119.2
N343—C427—C428	123.3 (17)	N323^ii—Zn31—N301	103.8 (8)
C428—C427—H427	118.3	N323^ii—Zn31—I302	107.8 (7)
C13B—C8B—C7B	117.1 (14)	N323^ii—Zn31—I301	103.1 (7)
C13B—C8B—C9B	120.1 (12)	N301—Zn31—I302	108.9 (6)
C9B—C8B—C7B	122.4 (13)	N301—Zn31—I301	103.0 (6)
C409—C410—H410	120.5	I302—Zn31—I301	127.9 (6)
C411—C410—C409	119.0 (12)	N348^ii—Zn58—N329	104.7 (10)
C411—C410—H410	120.5	N348^ii—Zn58—I516	107.0 (8)
C435—C436—H436	120.6	N348^ii—Zn58—I515	101.9 (8)
C437—C436—H436	120.6	N329—Zn58—I516	110.1 (7)
C437—C436—C435	118.7 (16)	N329—Zn58—I515	104.2 (8)
C371—C370—C362	122.6 (17)	I515—Zn58—I516	126.8 (8)
C371—C370—C369	117.0 (17)	N336—Zn40—I420	104.2 (5)
C369—C370—C362	120.3 (15)	N336—Zn40—I419	110.4 (4)
C421—C417—C415	119.5 (12)	N337—Zn40—N336	99.0 (5)
C421—C417—C418	117.6 (13)	N337—Zn40—I420	108.4 (5)
C418—C417—C415	122.8 (12)	N337—Zn40—I419	108.3 (5)
C363—C364—H364	119.0	I420—Zn40—I419	123.7 (3)
C363—C364—C365	122.0 (15)	C5J—C4J—H4J	120.0
C365—C364—H364	119.0	C5J—C4J—C3J	120.0
C399—C403—H403	120.6	C3J—C4J—H4J	120.0
C402—C403—C399	118.8 (16)	C4J—C5J—H5J	120.0
C402—C403—H403	120.6	C6J—C5J—C4J	120.0
C3B—C4B—C14B	120.6 (15)	C6J—C5J—H5J	120.0
C5B—C4B—C3B	118.1 (12)	C5J—C6J—C1J	120.0
C5B—C4B—C14B	121.3 (15)	C5J—C6J—C7J	119 (2)
N312—C332—C333	120.7 (16)	C1J—C6J—C7J	121 (2)
N312—C332—H332	119.7	C6J—C1J—H1J	120.0
C333—C332—H332	119.7	C2J—C1J—C6J	120.0
C13A—C8A—C7A	118.5 (13)	C2J—C1J—H1J	120.0
C9A—C8A—C7A	123.7 (11)	C1J—C2J—H2J	120.0
C9A—C8A—C13A	117.6 (12)	C3J—C2J—C1J	120.0
C435—C439—H439	120.6	C3J—C2J—H2J	120.0
C438—C439—H439	120.6	C4J—C3J—C14J	119.6 (8)
C438—C439—C435	118.8 (17)	C2J—C3J—C4J	120.0
C5A—C6A—H6A	119.6	C2J—C3J—C14J	120.3 (8)
C1A—C6A—H6A	119.6	N343—Zn1—I524	110.8 (7)
C1A—C6A—C5A	120.8 (14)	N343—Zn1—I523	107.2 (7)
N342—C422—C423	122.5 (13)	N342—Zn1—N343	96.7 (6)
N342—C422—H422	118.7	N342—Zn1—I524	108.2 (7)
C423—C422—H422	118.7	N342—Zn1—I523	106.4 (7)
N313—C341—C340	122.3 (13)	I524—Zn1—I523	124.0 (6)
N313—C341—H341	118.8	N343—Zn82—N342	106 (7)
C340—C341—H341	118.8	N343—Zn82—I724	104 (8)
N331—C391—H391	118.2	N343—Zn82—I723	117 (10)
N331—C391—C392	123.6 (13)	N342—Zn82—I724	95 (7)
C392—C391—H391	118.2	N342—Zn82—I723	123 (10)
N322—C362—N320	123.4 (16)	I724—Zn82—I723	108 (7)
N322—C362—C370	119.6 (14)	C12H—C11H—C10H	118.9 (17)
N320—C362—C370	117.0 (16)	C12H—C11H—H11H	120.6
C374—C375—C378	121.8 (15)	C10H—C11H—H11H	120.6
C374—C375—C376	120.1 (14)	C2G—C3G—H3G	119.3
C376—C375—C378	118.1 (13)	C4G—C3G—C2G	121.3 (15)
C423—C424—C416	123.0 (12)	C4G—C3G—H3G	119.3
C423—C424—C425	118.2 (13)	C4H—C14H—H14P	109.5
C425—C424—C416	118.8 (12)	C4H—C14H—H14Q	109.5
C385—C381—C379	119.2 (12)	C4H—C14H—H14R	109.5
C385—C381—C382	120.3 (14)	H14P—C14H—H14Q	109.5
C382—C381—C379	120.5 (13)	H14P—C14H—H14R	109.5
C337—C338—H338	120.9	H14Q—C14H—H14R	109.5
C339—C338—C337	118.1 (13)	C8J—C9J—H9J	119.9
C339—C338—H338	120.9	C8J—C9J—C10J	120.2 (19)
C436—C435—C433	119.9 (14)	C10J—C9J—H9J	119.9
C439—C435—C433	121.9 (15)	C13J—C12J—H12J	119.7
C439—C435—C436	118.1 (16)	C11J—C12J—H12J	119.7
N343—C431—C430	124.0 (18)	C11J—C12J—C13J	121 (2)
N343—C431—H431	118.0	C12J—C13J—H13J	120.7
C430—C431—H431	118.0	C8J—C13J—C12J	118.7 (19)
N344—C432—C429	117.4 (14)	C8J—C13J—H13J	120.7
N345—C432—N344	126.2 (13)	C12J—C11J—H11J	119.6
N345—C432—C429	116.3 (14)	C12J—C11J—C10J	121 (2)
C8D—C13D—H13D	119.6	C10J—C11J—H11J	119.6
C8D—C13D—C12D	120.9 (14)	C9J—C8J—C7J	122 (2)
C12D—C13D—H13D	119.6	C13J—C8J—C9J	120.8 (18)
C357—C356—H356	120.1	C13J—C8J—C7J	117 (2)
C357—C356—C355	119.9 (16)	O1J—C7J—C6J	121 (2)
C355—C356—H356	120.1	O1J—C7J—C8J	118.1 (18)
O1D—C7D—C8D	120.2 (13)	C8J—C7J—C6J	121 (2)
O1D—C7D—C1D	119.0 (12)	C9J—C10J—H10J	120.6
C8D—C7D—C1D	120.9 (11)	C11J—C10J—C9J	119 (2)
N329—C384—C385	123.6 (14)	C11J—C10J—H10J	120.6
N329—C384—H384	118.2	C4G—C14G—H14S	109.5
C385—C384—H384	118.2	C4G—C14G—H14T	109.5
N324—C368—H368	119.0	C4G—C14G—H14U	109.5
N324—C368—C369	122.0 (18)	H14S—C14G—H14T	109.5
C369—C368—H368	119.0	H14S—C14G—H14U	109.5
C334—C335—H335	121.8	H14T—C14G—H14U	109.5
C336—C335—C334	116.5 (16)	N319—Zn56—N318	96.4 (9)
C336—C335—H335	121.8	N319—Zn56—I511	110.6 (15)
N306—C314—C315	123.4 (13)	N319—Zn56—I512	107.5 (14)
N306—C314—H314	118.3	N318—Zn56—I511	103.6 (14)
C315—C314—H314	118.3	N318—Zn56—I512	113.2 (15)
N319—C359—H359	118.4	I511—Zn56—I512	122.5 (15)
N319—C359—C358	123.2 (17)	N336—Zn70—I720	92 (2)
C358—C359—H359	118.4	N336—Zn70—I719	122 (3)
N348—C444—H444	117.8	N337—Zn70—N336	98 (2)
N348—C444—C443	124.4 (16)	N337—Zn70—I720	97 (2)
C443—C444—H444	117.8	N337—Zn70—I719	121 (3)
C331—C327—C325	122.2 (14)	I720—Zn70—I719	121 (3)
C331—C327—C328	116.8 (15)	C5I—C6I—H6I	120.8
C328—C327—C325	121.0 (13)	C5I—C6I—C1I	118.5 (16)
N318—C350—C351	122.7 (14)	C1I—C6I—H6I	120.8
N318—C350—H350	118.6	C8I—C9I—H9I	119.7
C351—C350—H350	118.6	C10I—C9I—H9I	119.7
O1A—C7A—C8A	119.0 (13)	C10I—C9I—C8I	120.6 (17)
O1A—C7A—C1A	119.3 (13)	C13I—C12I—H12I	119.8
C1A—C7A—C8A	121.6 (12)	C13I—C12I—C11I	120.4 (17)
C357—C358—H358	121.4	C11I—C12I—H12I	119.8
C359—C358—C357	117.2 (17)	C6I—C5I—H5I	119.7
C359—C358—H358	121.4	C6I—C5I—C4I	120.7 (16)
C406—C407—H407	121.1	C4I—C5I—H5I	119.7
C408—C407—C406	117.8 (15)	C5I—C4I—C3I	119.5 (16)
C408—C407—H407	121.1	C5I—C4I—C14I	122 (2)
N341—C419—H419	118.7	C3I—C4I—C14I	119 (2)
N341—C419—C418	122.7 (14)	C12I—C13I—H13I	120.0
C418—C419—H419	118.7	C8I—C13I—C12I	119.9 (17)
N304—C308—C316	116.1 (12)	C8I—C13I—H13I	120.0
N302—C308—N304	126.4 (12)	C6I—C1I—C7I	124 (2)
N302—C308—C316	117.4 (12)	C2I—C1I—C6I	121.6 (16)
N341—C420—H420	117.8	C2I—C1I—C7I	114 (2)
N341—C420—C421	124.4 (14)	C1I—C2I—H2I	120.5
C421—C420—H420	117.8	C3I—C2I—C1I	119.0 (17)
C375—C374—H374	120.4	C3I—C2I—H2I	120.5
C375—C374—C373	119.2 (18)	C4I—C3I—H3I	119.6
C373—C374—H374	120.4	C2I—C3I—C4I	120.7 (17)
N329—C383—H383	117.7	C2I—C3I—H3I	119.6
N329—C383—C382	124.6 (14)	C9I—C8I—C7I	120 (3)
C382—C383—H383	117.7	C13I—C8I—C9I	119.4 (17)
C12B—C11B—H11B	120.9	C13I—C8I—C7I	120 (3)
C10B—C11B—H11B	120.9	O1I—C7I—C1I	118 (2)
C10B—C11B—C12B	118.3 (16)	O1I—C7I—C8I	122 (2)
N317—C348—H348	117.4	C1I—C7I—C8I	119.1 (18)
N317—C348—C349	125.1 (15)	C4I—C14I—H14Z	109.5
C349—C348—H348	117.4	C4I—C14I—H	109.5
C310—C309—C307	121.7 (14)	C4I—C14I—HA	109.5
C310—C309—C313	117.2 (14)	H14Z—C14I—H	109.5
C313—C309—C307	120.9 (14)	H14Z—C14I—HA	109.5
C321—C320—H320	121.2	H—C14I—HA	109.5
C319—C320—C321	117.5 (14)	C12I—C11I—H11I	120.5
C319—C320—H320	121.2	C12I—C11I—C10I	119.1 (18)
C429—C428—C427	118.0 (17)	C10I—C11I—H11I	120.5
C429—C428—H428	121.0	C9I—C10I—C11I	119.8 (18)
C427—C428—H428	121.0	C9I—C10I—H10I	120.1
N323—C366—H366	117.5	C11I—C10I—H10I	120.1
N323—C366—C367	124.9 (16)	N319—Zn76—N318	67 (3)
C367—C366—H366	117.5	I711—Zn76—N319	137 (5)
N301—C301—H301	118.8	I711—Zn76—N318	122 (6)
N301—C301—C302	122.3 (14)	I711—Zn76—I712	139 (6)
C302—C301—H301	118.8	I712—Zn76—N319	82 (3)
C370—C369—H369	119.7	I712—Zn76—N318	76 (4)
C368—C369—C370	120.6 (17)	N347^iii—Zn52—I503	102.4 (10)
C368—C369—H369	119.7	N347^iii—Zn52—I504	106.8 (10)
C301—C302—H302	120.5	N305—Zn52—N347^iii	105.3 (13)
C301—C302—C303	119.0 (15)	N305—Zn52—I503	104.8 (9)
C303—C302—H302	120.5	N305—Zn52—I504	109.3 (10)
C11B—C12B—H12B	119.5	I503—Zn52—I504	126.4 (10)
C13B—C12B—C11B	121.0 (15)	N324—Zn57—N325	104.4 (8)
C13B—C12B—H12B	119.5	N324—Zn57—I514	104.0 (7)
C13D—C8D—C7D	118.5 (12)	N324—Zn57—I513	111.7 (8)
C9D—C8D—C13D	119.0 (13)	N325—Zn57—I514	103.6 (7)
C9D—C8D—C7D	121.9 (13)	N325—Zn57—I513	113.8 (8)
C424—C425—H425	120.7	I513—Zn57—I514	117.8 (6)
C426—C425—C424	118.6 (13)	C3J—C14J—H14Y	109.5
C426—C425—H425	120.7	C3J—C14J—HB	109.5
N311—C330—H330	119.0	C3J—C14J—HC	109.5
C331—C330—N311	122.1 (15)	H14Y—C14J—HB	109.5
C331—C330—H330	119.0	H14Y—C14J—HC	109.5
C345—C349—H349	120.9	HB—C14J—HC	109.5
Zn39—N331—C395—C394	173.8 (9)	C368—N324—C372—C371	−3 (3)
Zn39—N331—C391—C392	−172.6 (12)	C335—C334—C333—C332	−3 (2)
Zn39—N330—C386—C387	177.6 (16)	C314—N306—C318—C317	0 (2)
Zn39—N330—C390—C389	−172.8 (16)	C314—C315—C316—C308	−179.8 (15)
Zn33—N307—C323—C322	174.7 (9)	C314—C315—C316—C317	1 (2)
Zn33—N307—C319—C320	−174.4 (12)	C359—N319—C355—C356	1 (2)
Zn33—N306—C318—C317	179.3 (14)	C444—N348—C440—C441	0 (2)
Zn33—N306—C314—C315	−177.2 (12)	C327—C331—C330—N311	−5 (3)
Zn50—N336—C408—C407	175.0 (12)	C327—C328—C329—N311	−2 (3)
Zn50—N336—C404—C405	−175.1 (11)	C350—N318—C354—C353	0 (4)
Zn50—N337—C409—C410	178.6 (12)	C350—C351—C352—C344	−177.0 (16)
Zn50—N337—C413—C412	−178.6 (13)	C350—C351—C352—C353	1 (3)
Zn42—N343—C427—C428	166.1 (14)	C7A—C8A—C13A—C12A	−177.1 (18)
Zn42—N343—C431—C430	−167.3 (12)	C7A—C8A—C9A—C10A	−180 (2)
Zn42—N342—C422—C423	172.3 (15)	C7A—C1A—C2A—C3A	−177.5 (18)
Zn42—N342—C426—C425	−170.4 (17)	C358—C357—C356—C355	−1 (2)
Zn36—N319—C359—C358	169.5 (15)	C358—C357—C360—N321	176.5 (15)
Zn36—N319—C355—C356	−168.5 (12)	C358—C357—C360—N320	−4 (2)
Zn36—N318—C350—C351	171.2 (14)	C419—N341—C420—C421	0 (3)
Zn36—N318—C354—C353	−172 (2)	C308—N304—C307—N303	−3 (2)
Zn35^vi—N311—C329—C328	−173.6 (12)	C308—N304—C307—C309	174.8 (14)
Zn35^vi—N311—C330—C331	177.2 (13)	C308—N302—C306—N303	−1 (3)
Zn35—N317—C347—C346	−175.7 (13)	C308—N302—C306—C303	176.1 (15)
Zn35—N317—C348—C349	174.5 (17)	C308—C316—C317—C318	−178.3 (16)
Zn41^vi—N335—C401—C400	−175.1 (13)	C420—N341—C419—C418	0 (3)
Zn41^vi—N335—C402—C403	173.6 (14)	C374—C375—C376—C377	2 (3)
Zn41—N341—C419—C418	−179.0 (15)	C383—N329—C384—C385	−1 (3)
Zn41—N341—C420—C421	179 (2)	C11B—C12B—C13B—C8B	0 (3)
Zn34—N312—C336—C335	173.5 (12)	C348—N317—C347—C346	3 (3)
Zn34—N312—C332—C333	−173.3 (11)	C309—C310—C311—N305	4 (4)
Zn34—N313—C337—C338	−179.7 (13)	C309—C313—C312—N305	0 (3)
Zn34—N313—C341—C340	−179.2 (14)	C320—C321—C324—N309	13.5 (19)
Zn38^iv—N348—C444—C443	177.2 (17)	C320—C321—C324—N308	−166.9 (12)
Zn38^iv—N348—C440—C441	−177.0 (11)	C428—C429—C430—C431	−2 (2)
Zn38—N329—C384—C385	169.0 (14)	C428—C429—C432—N344	177.6 (14)
Zn38—N329—C383—C382	−169.6 (16)	C428—C429—C432—N345	−5 (2)
Zn32^v—N347—C437—C436	172.5 (15)	C366—N323—C365—C364	−1 (3)
Zn32^v—N347—C438—C439	−172.4 (16)	C301—N301—C305—C304	2 (3)
Zn32—N305—C311—C310	178.8 (17)	C301—C302—C303—C306	178.5 (18)
Zn32—N305—C312—C313	178.9 (14)	C301—C302—C303—C304	−1 (3)
Zn51^iv—N323—C366—C367	178.5 (16)	C369—C370—C362—N322	−170.2 (16)
Zn51^iv—N323—C365—C364	−177.9 (13)	C369—C370—C362—N320	7 (2)
Zn51—N301—C301—C302	−170.8 (16)	C302—C303—C304—C305	0 (3)
Zn51—N301—C305—C304	170 (2)	C12B—C11B—C10B—C9B	−4 (3)
Zn37—N324—C372—C371	−172.4 (15)	C8D—C13D—C12D—C11D	4 (3)
Zn37—N324—C368—C369	171.6 (17)	C8D—C7D—C1D—C6D	36 (2)
Zn37—N325—C373—C374	−178.1 (15)	C8D—C7D—C1D—C2D	−148.6 (17)
Zn37—N325—C377—C376	178.3 (16)	C8D—C9D—C10D—C11D	0 (3)
N333—C396—C393—C394	−171.3 (12)	C330—N311—C329—C328	0 (2)
N333—C396—C393—C392	12.0 (18)	C330—C331—C327—C325	−175.0 (15)
N333—C397—C399—C400	−21.6 (19)	C330—C331—C327—C328	3 (2)
N333—C397—C399—C403	155.6 (14)	C349—C345—C346—C347	−1 (2)
N334—C398—C406—C405	−156.8 (13)	C355—N319—C359—C358	−1 (3)
N334—C398—C406—C407	24.3 (19)	C386—N330—C390—C389	3 (3)
N334—C397—C399—C400	158.4 (13)	C437—N347—C438—C439	−2 (3)
N334—C397—C399—C403	−24.5 (19)	C437—C436—C435—C433	−178.4 (17)
N310—C326—C334—C333	−157.9 (13)	C437—C436—C435—C439	5 (3)
N310—C326—C334—C335	23.9 (19)	C4E—C5E—C6E—C1E	0.3 (16)
N310—C325—C327—C331	−34 (2)	C13B—C8B—C7B—O1B	−3 (3)
N310—C325—C327—C328	148.1 (14)	C13B—C8B—C7B—C1B	176.8 (19)
N307—C323—C322—C321	0 (2)	C13B—C8B—C9B—C10B	3 (3)
N307—C319—C320—C321	−1 (2)	C438—N347—C437—C436	2 (3)
N312—C336—C335—C334	−1 (2)	C438—C439—C435—C433	178.2 (17)
N306—C318—C317—C316	−1 (3)	C438—C439—C435—C436	−6 (3)
N331—C395—C394—C393	0.7 (19)	C360—N321—C361—N322	7 (2)
N331—C391—C392—C393	−3 (2)	C360—N321—C361—C363	−173.2 (13)
N330—C386—C387—C388	−4 (3)	C360—N320—C362—N322	0 (2)
N336—C408—C407—C406	0 (2)	C360—N320—C362—C370	−177.7 (14)
N309—C325—C327—C331	143.6 (15)	C360—C357—C356—C355	−179.9 (14)
N309—C325—C327—C328	−34 (2)	C360—C357—C358—C359	−179.7 (16)
N304—C307—C309—C310	178.4 (18)	C13A—C8A—C7A—O1A	4 (3)
N304—C307—C309—C313	2 (2)	C13A—C8A—C7A—C1A	179.7 (17)
N340—C415—C417—C421	−8 (3)	C13A—C8A—C9A—C10A	5 (3)
N340—C415—C417—C418	169.1 (17)	C13A—C12A—C11A—C10A	−3 (3)
N340—C416—C424—C423	173.0 (16)	C352—C351—C350—N318	0 (3)
N340—C416—C424—C425	−8 (2)	C352—C353—C354—N318	1 (4)
N316—C343—C345—C349	6 (2)	C389—C388—C387—C386	2 (3)
N316—C343—C345—C346	−174.1 (15)	C346—C345—C349—C348	0 (3)
N316—C344—C352—C351	174.8 (16)	C404—N336—C408—C407	−3 (2)
N316—C344—C352—C353	−3 (3)	C404—C405—C406—C398	178.2 (13)
N326—C378—C375—C374	176.7 (17)	C404—C405—C406—C407	−3 (2)
N326—C378—C375—C376	−4 (2)	C317—C316—C308—N304	−11 (2)
N326—C380—C388—C389	−172.3 (18)	C317—C316—C308—N302	166.1 (16)
N326—C380—C388—C387	7 (2)	C440—N348—C444—C443	0 (3)
N308—C326—C334—C333	24 (2)	O1F—C7F—C8F—C13F	−34 (4)
N308—C326—C334—C335	−153.7 (14)	O1F—C7F—C8F—C9F	140 (2)
N332—C398—C406—C405	26.9 (19)	C1D—C7D—C8D—C13D	−155.2 (17)
N332—C398—C406—C407	−152.0 (13)	C1D—C7D—C8D—C9D	34 (3)
N332—C396—C393—C394	8.0 (18)	C6B—C1B—C7B—C8B	56 (3)
N332—C396—C393—C392	−168.6 (12)	C6B—C1B—C7B—O1B	−124 (3)
N348—C444—C443—C442	0 (3)	C6B—C1B—C2B—C3B	−4 (3)
N322—C361—C363—C364	151.1 (16)	C5A—C6A—C1A—C7A	173.6 (16)
N322—C361—C363—C367	−34 (2)	C5A—C6A—C1A—C2A	−2 (3)
N346—C433—C435—C436	−167.9 (16)	C5A—C4A—C3A—C2A	−3 (3)
N346—C433—C435—C439	8 (3)	C6D—C1D—C2D—C3D	−2 (3)
N315—C343—C345—C349	−171.7 (15)	C9A—C8A—C7A—O1A	−171 (2)
N315—C343—C345—C346	8 (2)	C9A—C8A—C7A—C1A	5 (3)
N315—C342—C339—C340	−171.0 (14)	C9A—C8A—C13A—C12A	−2 (3)
N315—C342—C339—C338	8 (2)	C4A—C3A—C2A—C1A	4 (3)
N303—C307—C309—C310	−4 (3)	C3D—C4D—C5D—C6D	−3 (3)
N303—C307—C309—C313	179.6 (16)	C373—N325—C377—C376	3 (3)
N303—C306—C303—C302	−8 (3)	C377—N325—C373—C374	−4 (3)
N303—C306—C303—C304	170.8 (19)	C443—C442—C434—N346	−27 (2)
N328—C379—C381—C385	2 (2)	C443—C442—C434—N344	148.6 (16)
N328—C379—C381—C382	−176.0 (16)	C443—C442—C441—C440	0 (2)
N328—C380—C388—C389	5 (2)	C387—C388—C389—C390	3 (3)
N328—C380—C388—C387	−175.7 (16)	C310—C309—C313—C312	2 (3)
N343—C427—C428—C429	2 (3)	C365—N323—C366—C367	2 (3)
N339—C415—C417—C421	172.1 (18)	C1B—C6B—C5B—C4B	3 (3)
N339—C415—C417—C418	−10 (3)	C1B—C2B—C3B—C4B	6 (3)
N339—C414—C411—C412	−169.9 (15)	C14D—C4D—C5D—C6D	178.5 (17)
N339—C414—C411—C410	12 (2)	C14D—C4D—C3D—C2D	179.8 (18)
N302—C306—C303—C302	174.2 (18)	C1A—C6A—C5A—C4A	3 (3)
N302—C306—C303—C304	−7 (3)	C12A—C11A—C10A—C9A	7 (4)
N319—C359—C358—C357	−1 (3)	C376—C375—C374—C373	−2 (3)
N327—C379—C381—C385	−179.4 (16)	C367—C363—C364—C365	2 (3)
N327—C379—C381—C382	2 (2)	C313—C309—C310—C311	−4 (3)
N327—C378—C375—C374	−4 (2)	C3F—C4F—C5F—C6F	3 (4)
N327—C378—C375—C376	175.2 (15)	C402—N335—C401—C400	−3 (2)
N341—C419—C418—C417	2 (3)	C305—N301—C301—C302	−3 (3)
N341—C420—C421—C417	−2 (4)	C5E—C4E—C3E—C2E	−4 (3)
N323—C366—C367—C363	−1 (3)	C5E—C6E—C1E—C2E	1 (3)
C398—N334—C397—N333	3.1 (19)	C5E—C6E—C1E—C7E	175.4 (17)
C398—N334—C397—C399	−176.9 (11)	C421—C417—C418—C419	−3 (3)
C398—N332—C396—N333	4.0 (19)	C2D—C1D—C6D—C5D	0 (2)
C398—N332—C396—C393	−175.3 (11)	C1F—C7F—C8F—C13F	147 (2)
C398—C406—C407—C408	−178.3 (13)	C1F—C7F—C8F—C9F	−39 (4)
N317—C347—C346—C345	−1 (3)	C418—C417—C421—C420	3 (3)
N317—C348—C349—C345	3 (3)	C7B—C8B—C13B—C12B	−176.1 (18)
N338—C414—C411—C412	10 (2)	C7B—C8B—C9B—C10B	175 (2)
N338—C414—C411—C410	−167.9 (14)	C7B—C1B—C2B—C3B	−177.9 (17)
N338—C416—C424—C423	−10 (3)	C390—N330—C386—C387	2 (3)
N338—C416—C424—C425	168.6 (17)	C354—N318—C350—C351	0 (3)
N321—C361—C363—C364	−29 (2)	C311—N305—C312—C313	0 (3)
N321—C361—C363—C367	145.8 (16)	C2B—C1B—C7B—C8B	−130 (2)
C379—N328—C380—N326	0 (2)	C2B—C1B—C7B—O1B	50 (3)
C379—N328—C380—C388	−177.0 (13)	C426—N342—C422—C423	−1 (3)
C379—N327—C378—N326	1 (2)	C9E—C10E—C11E—C12E	−2 (3)
C379—N327—C378—C375	−177.6 (13)	C9E—C8E—C7E—O1E	−154 (2)
C379—C381—C382—C383	177.5 (17)	C9E—C8E—C7E—C1E	23 (3)
C378—N326—C380—N328	2 (2)	C312—N305—C311—C310	−2 (3)
C378—N326—C380—C388	179.0 (13)	C12D—C13D—C8D—C7D	−176.6 (18)
C378—N327—C379—N328	1 (2)	C12D—C13D—C8D—C9D	−5 (3)
C378—N327—C379—C381	−176.8 (13)	C12D—C11D—C10D—C9D	−1 (3)
C378—C375—C374—C373	177.5 (17)	C14A—C4A—C3A—C2A	176 (2)
C378—C375—C376—C377	−178.0 (16)	C9B—C8B—C13B—C12B	−4 (3)
C326—N310—C325—N309	4 (2)	C9B—C8B—C7B—O1B	−175 (2)
C326—N310—C325—C327	−178.8 (11)	C9B—C8B—C7B—C1B	4 (3)
C326—N308—C324—N309	5.4 (19)	C10E—C9E—C8E—C13E	−2 (3)
C326—N308—C324—C321	−174.1 (12)	C10E—C9E—C8E—C7E	176 (2)
C326—C334—C333—C332	178.6 (13)	C10E—C11E—C12E—C13E	2 (3)
C326—C334—C335—C336	−178.6 (14)	C10B—C11B—C12B—C13B	4 (3)
C395—N331—C391—C392	2 (2)	C6E—C1E—C2E—C3E	−4 (3)
C395—C394—C393—C396	−178.6 (12)	C6E—C1E—C7E—O1E	−144 (2)
C395—C394—C393—C392	−1.9 (19)	C6E—C1E—C7E—C8E	39 (3)
N345—C433—C435—C436	11 (2)	C1E—C2E—C3E—C4E	6 (3)
N345—C433—C435—C439	−172.8 (17)	C3B—C4B—C5B—C6B	0 (3)
O1D—C7D—C8D—C13D	25 (3)	C8G—C7G—C1G—C2G	153 (3)
O1D—C7D—C8D—C9D	−145.9 (19)	C8G—C7G—C1G—C6G	−32 (4)
O1D—C7D—C1D—C6D	−144.2 (18)	C8G—C13G—C12G—C11G	−2 (3)
O1D—C7D—C1D—C2D	31 (3)	C8G—C9G—C10G—C11G	0 (3)
N313—C337—C338—C339	−1 (3)	C13E—C8E—C7E—O1E	23 (4)
C315—C316—C308—N304	169.5 (15)	C13E—C8E—C7E—C1E	−159 (2)
C315—C316—C308—N302	−13 (2)	C13H—C12H—C11H—C10H	1.0 (18)
C315—C316—C317—C318	1 (3)	C13H—C8H—C7H—O1H	43 (3)
C307—N304—C308—N302	4 (2)	C13H—C8H—C7H—C1H	−137 (2)
C307—N304—C308—C316	−179.2 (14)	C8E—C9E—C10E—C11E	2 (3)
C307—N303—C306—N302	2 (3)	C8E—C13E—C12E—C11E	−2 (3)
C307—N303—C306—C303	−175.3 (15)	C5B—C4B—C3B—C2B	−4 (3)
C307—C309—C310—C311	179.3 (19)	C5B—C6B—C1B—C7B	173.1 (17)
C307—C309—C313—C312	178.5 (16)	C5B—C6B—C1B—C2B	−1 (3)
C415—N340—C416—N338	1 (2)	C10D—C11D—C12D—C13D	−1 (3)
C415—N340—C416—C424	177.7 (15)	C7F—C1F—C2F—C3F	175 (2)
C415—N339—C414—N338	−1 (2)	C7F—C1F—C6F—C5F	−173 (3)
C415—N339—C414—C411	179.3 (13)	C7F—C8F—C13F—C12F	178 (2)
C415—C417—C421—C420	−179 (2)	C7F—C8F—C9F—C10F	−178 (2)
C415—C417—C418—C419	179.3 (18)	C12E—C13E—C8E—C9E	2 (3)
C323—N307—C319—C320	1 (2)	C12E—C13E—C8E—C7E	−176 (2)
C323—C322—C321—C324	179.4 (12)	C2E—C1E—C7E—O1E	31 (3)
C323—C322—C321—C320	−1 (2)	C2E—C1E—C7E—C8E	−146 (2)
C394—C393—C392—C391	3 (2)	C6C—C1C—C7C—O1C	−155 (3)
C343—N316—C344—N314	−1 (2)	C6C—C1C—C7C—C8C	21 (4)
C343—N316—C344—C352	179.5 (14)	C2C—C1C—C7C—O1C	27 (4)
C343—N315—C342—N314	−3 (2)	C2C—C1C—C7C—C8C	−157 (2)
C343—N315—C342—C339	179.2 (13)	C12C—C13C—C8C—C9C	−1 (4)
C343—C345—C349—C348	179.9 (18)	C12C—C13C—C8C—C7C	−174 (3)
C343—C345—C346—C347	179.1 (16)	C8F—C13F—C12F—C11F	−1 (4)
N337—C409—C410—C411	−1 (2)	C8F—C9F—C10F—C11F	2 (4)
C322—C321—C324—N309	−166.7 (12)	C2F—C3F—C4F—C5F	−1 (4)
C322—C321—C324—N308	12.9 (19)	C2F—C3F—C4F—C14F	−175 (2)
C322—C321—C320—C319	1 (2)	C2F—C1F—C7F—O1F	−17 (3)
C396—N333—C397—N334	0.9 (19)	C2F—C1F—C7F—C8F	161 (2)
C396—N333—C397—C399	−179.1 (11)	C2F—C1F—C6F—C5F	2 (4)
C396—N332—C398—N334	0.7 (19)	C7E—C1E—C2E—C3E	−179 (2)
C396—N332—C398—C406	176.7 (11)	O1G—C7G—C1G—C2G	−27 (4)
C396—C393—C392—C391	179.8 (13)	O1G—C7G—C1G—C6G	148 (3)
N329—C383—C382—C381	0 (3)	C14B—C4B—C3B—C2B	176 (2)
N314—C344—C352—C351	−5 (2)	C14B—C4B—C5B—C6B	−180 (2)
N314—C344—C352—C353	177.2 (18)	C13F—C8F—C9F—C10F	−4 (4)
N314—C342—C339—C340	11 (2)	C13F—C12F—C11F—C10F	−1 (4)
N314—C342—C339—C338	−169.9 (14)	C14E—C4E—C5E—C6E	177 (2)
C405—C406—C407—C408	3 (2)	C14E—C4E—C3E—C2E	180 (2)
N324—C372—C371—C370	3 (3)	C9C—C8C—C7C—O1C	−142 (3)
N324—C368—C369—C370	−2 (3)	C9C—C8C—C7C—C1C	42 (4)
C397—N333—C396—N332	−4.7 (19)	C9C—C10C—C11C—C12C	1 (4)
C397—N333—C396—C393	174.5 (11)	C7G—C8G—C13G—C12G	172 (2)
C397—N334—C398—N332	−3.9 (19)	C7G—C8G—C9G—C10G	−171 (2)
C397—N334—C398—C406	−179.9 (11)	C7G—C1G—C2G—C3G	177 (3)
C397—C399—C400—C401	176.1 (14)	C7G—C1G—C6G—C5G	−174 (3)
C397—C399—C403—C402	−177.6 (15)	C13C—C12C—C11C—C10C	−4 (4)
C429—C430—C431—N343	2 (2)	C13C—C8C—C7C—O1C	31 (5)
C399—C400—C401—N335	3 (3)	C13C—C8C—C7C—C1C	−145 (3)
C399—C403—C402—N335	0 (3)	C3E—C4E—C5E—C6E	1.4 (18)
C442—C441—C440—N348	0 (2)	C3H—C2H—C1H—C7H	−175 (3)
C414—N339—C415—N340	−2 (2)	C3H—C2H—C1H—C6H	0 (4)
C414—N339—C415—C417	177.6 (15)	C3H—C4H—C5H—C6H	1 (5)
C414—N338—C416—N340	−3 (2)	C8C—C9C—C10C—C11C	1 (4)
C414—N338—C416—C424	−179.9 (14)	C9F—C8F—C13F—C12F	4 (4)
C414—C411—C410—C409	179.0 (14)	C1G—C2G—C3G—C4G	−3 (4)
C344—N316—C343—N315	2 (2)	C1G—C6G—C5G—C4G	−3 (5)
C344—N316—C343—C345	−176.3 (14)	C3C—C2C—C1C—C6C	−1.3 (19)
C344—N314—C342—N315	4 (2)	C3C—C2C—C1C—C7C	177 (2)
C344—N314—C342—C339	−178.8 (13)	C3C—C4C—C5C—C6C	1.0 (19)
C344—C352—C353—C354	177 (2)	C4F—C3F—C2F—C1F	0 (4)
N325—C377—C376—C375	−2 (3)	C4F—C5F—C6F—C1F	−4 (5)
C409—N337—C413—C412	−2 (2)	C2H—C3H—C4H—C5H	0 (5)
C324—N309—C325—N310	0 (2)	C2H—C3H—C4H—C14H	180 (3)
C324—N309—C325—C327	−177.9 (11)	C2H—C1H—C7H—O1H	9 (4)
C324—N308—C326—N310	−2 (2)	C2H—C1H—C7H—C8H	−171 (2)
C324—N308—C326—C334	175.8 (11)	C2H—C1H—C6H—C5H	0 (4)
C324—C321—C320—C319	−179.0 (13)	C4H—C3H—C2H—C1H	0 (4)
C347—N317—C348—C349	−5 (3)	C4H—C5H—C6H—C1H	−1 (5)
C325—N310—C326—N308	−2.5 (19)	C13G—C8G—C7G—O1G	−19 (3)
C325—N310—C326—C334	−179.9 (12)	C13G—C8G—C7G—C1G	161 (2)
C325—N309—C324—N308	−4.4 (19)	C13G—C8G—C9G—C10G	0 (2)
C325—N309—C324—C321	175.1 (12)	C9H—C8H—C7H—O1H	−133 (2)
O1A—C7A—C1A—C6A	−130 (2)	C9H—C8H—C7H—C1H	47 (3)
O1A—C7A—C1A—C2A	46 (3)	C9H—C10H—C11H—C12H	0 (3)
C334—C333—C332—N312	1 (2)	C2G—C1G—C6G—C5G	1 (5)
C434—N346—C433—N345	−3 (2)	C12H—C13H—C8H—C9H	3 (3)
C434—N346—C433—C435	175.9 (14)	C12H—C13H—C8H—C7H	−174 (2)
C434—N344—C432—N345	−4 (2)	C12G—C11G—C10G—C9G	−1 (3)
C434—N344—C432—C429	173.2 (12)	C8H—C13H—C12H—C11H	−2 (2)
C434—C442—C441—C440	177.5 (14)	C8H—C9H—C10H—C11H	1 (3)
C434—C442—C443—C444	−177.4 (17)	C5C—C6C—C1C—C2C	0.8 (18)
C306—N303—C307—N304	0 (2)	C5C—C6C—C1C—C7C	−177 (2)
C306—N303—C307—C309	−177.2 (15)	C5C—C4C—C3C—C2C	−1.4 (19)
C306—N302—C308—N304	−2 (2)	C10C—C9C—C8C—C13C	−2 (4)
C306—N302—C308—C316	−179.0 (15)	C10C—C9C—C8C—C7C	172 (2)
C306—C303—C304—C305	−179 (2)	C1C—C6C—C5C—C4C	−0.7 (19)
C416—N340—C415—N339	2 (2)	C1C—C2C—C3C—C4C	1.6 (19)
C416—N340—C415—C417	−177.6 (14)	C12F—C11F—C10F—C9F	1 (5)
C416—N338—C414—N339	3 (2)	C10H—C9H—C8H—C13H	−2 (3)
C416—N338—C414—C411	−176.9 (13)	C10H—C9H—C8H—C7H	174 (2)
C416—C424—C425—C426	177.4 (19)	C14F—C4F—C5F—C6F	178 (3)
C333—C334—C335—C336	3 (2)	C7H—C1H—C6H—C5H	175 (3)
C342—N315—C343—N316	0 (2)	C6G—C1G—C2G—C3G	2 (5)
C342—N315—C343—C345	178.3 (14)	C11C—C12C—C13C—C8C	3 (5)
C342—N314—C344—N316	−1 (2)	C6H—C1H—C7H—O1H	−166 (3)
C342—N314—C344—C352	178.2 (14)	C6H—C1H—C7H—C8H	14 (4)
C342—C339—C340—C341	−179.6 (15)	C6F—C1F—C7F—O1F	158 (2)
C342—C339—C338—C337	−179.4 (15)	C6F—C1F—C7F—C8F	−24 (4)
C4D—C5D—C6D—C1D	2 (3)	C6F—C1F—C2F—C3F	0 (4)
C4D—C3D—C2D—C1D	1 (3)	C14C—C4C—C3C—C2C	180 (2)
C412—C411—C410—C409	1 (2)	C14C—C4C—C5C—C6C	180 (2)
C316—C315—C314—N306	−3 (3)	C5G—C4G—C3G—C2G	1 (4)
C400—C399—C403—C402	0 (2)	C9G—C8G—C7G—O1G	151 (2)
C430—C429—C432—N344	−3 (2)	C9G—C8G—C7G—C1G	−29 (3)
C430—C429—C432—N345	174.3 (13)	C9G—C8G—C13G—C12G	1.2 (19)
C430—C429—C428—C427	0 (2)	C10G—C11G—C12G—C13G	2 (3)
C319—N307—C323—C322	−0.3 (19)	Zn31^iv—N323—C366—C367	−175.7 (18)
C411—C412—C413—N337	1 (3)	Zn31^iv—N323—C365—C364	176.0 (13)
C351—C352—C353—C354	−2 (3)	Zn31—N301—C301—C302	177.0 (16)
C401—N335—C402—C403	1 (3)	Zn31—N301—C305—C304	−177 (2)
C433—N346—C434—N344	0 (2)	Zn58^iv—N348—C444—C443	179.8 (18)
C433—N346—C434—C442	175.4 (13)	Zn58^iv—N348—C440—C441	−179.5 (12)
C433—N345—C432—N344	2 (2)	Zn58—N329—C384—C385	178.0 (16)
C433—N345—C432—C429	−175.6 (13)	Zn58—N329—C383—C382	−178.2 (18)
C357—C356—C355—N319	0 (2)	Zn40—N336—C408—C407	175.3 (12)
C361—N322—C362—N320	0 (2)	Zn40—N336—C404—C405	−175.5 (11)
C361—N322—C362—C370	177.4 (14)	Zn40—N337—C409—C410	177.4 (12)
C361—N321—C360—N320	−7 (2)	Zn40—N337—C413—C412	−177.3 (13)
C361—N321—C360—C357	172.8 (12)	C4J—C5J—C6J—C1J	0.0
C361—C363—C364—C365	176.7 (15)	C4J—C5J—C6J—C7J	179 (4)
C361—C363—C367—C366	−176.4 (17)	C5J—C4J—C3J—C2J	0.0
C406—C405—C404—N336	0 (2)	C5J—C4J—C3J—C14J	178 (5)
C337—N313—C341—C340	0 (3)	C5J—C6J—C1J—C2J	0.0
C372—N324—C368—C369	3 (3)	C5J—C6J—C7J—O1J	146 (5)
C372—C371—C370—C362	−177.7 (17)	C5J—C6J—C7J—C8J	−33 (6)
C372—C371—C370—C369	−1 (3)	C6J—C1J—C2J—C3J	0.0
C339—C340—C341—N313	−1 (3)	C1J—C6J—C7J—O1J	−35 (7)
C5D—C4D—C3D—C2D	1 (3)	C1J—C6J—C7J—C8J	146 (4)
C363—C364—C365—N323	−1 (3)	C1J—C2J—C3J—C4J	0.0
C340—C339—C338—C337	0 (2)	C1J—C2J—C3J—C14J	−178 (5)
C336—N312—C332—C333	1 (2)	C3J—C4J—C5J—C6J	0.0
C329—N311—C330—C331	3 (2)	Zn1—N343—C427—C428	166.8 (14)
C329—C328—C327—C325	178.4 (14)	Zn1—N343—C431—C430	−167.2 (12)
C329—C328—C327—C331	1 (2)	Zn1—N342—C422—C423	175.0 (15)
C380—N326—C378—N327	−3 (2)	Zn1—N342—C426—C425	−173.0 (18)
C380—N326—C378—C375	176.2 (13)	Zn82—N343—C427—C428	150 (7)
C380—N328—C379—N327	−2 (2)	Zn82—N343—C431—C430	−158 (7)
C380—N328—C379—C381	176.2 (14)	Zn82—N342—C422—C423	153 (6)
C380—C388—C389—C390	−178.3 (18)	Zn82—N342—C426—C425	−156 (6)
C380—C388—C387—C386	−177.3 (17)	C3G—C4G—C5G—C6G	2 (4)
C388—C389—C390—N330	−5 (3)	C14H—C4H—C5H—C6H	−179 (3)
C371—C370—C362—N322	6 (2)	C9J—C8J—C7J—C6J	−37 (6)
C371—C370—C362—N320	−176.4 (16)	C9J—C8J—C7J—O1J	144 (4)
C371—C370—C369—C368	1 (3)	C12J—C13J—C8J—C9J	6 (3)
N301—C301—C302—C303	2 (3)	C12J—C13J—C8J—C7J	−175 (3)
N301—C305—C304—C303	−1 (4)	C12J—C11J—C10J—C9J	−1 (3)
C318—N306—C314—C315	2 (2)	C13J—C12J—C11J—C10J	1 (3)
C441—C442—C434—N346	155.4 (15)	C13J—C8J—C7J—C6J	145 (4)
C441—C442—C434—N344	−29 (2)	C13J—C8J—C7J—O1J	−34 (6)
C441—C442—C443—C444	0 (3)	C11J—C12J—C13J—C8J	−3.4 (19)
C408—N336—C404—C405	3 (2)	C8J—C9J—C10J—C11J	4 (3)
C385—C381—C382—C383	−1 (3)	C7J—C6J—C1J—C2J	−179 (4)
C423—C424—C425—C426	−4 (3)	C10J—C9J—C8J—C13J	−6 (3)
C413—N337—C409—C410	2 (2)	C10J—C9J—C8J—C7J	175 (3)
C413—C412—C411—C414	−179.0 (14)	C14G—C4G—C5G—C6G	−177 (3)
C413—C412—C411—C410	−1 (2)	C14G—C4G—C3G—C2G	−180 (3)
C427—N343—C431—C430	0 (2)	Zn56—N319—C359—C358	171.5 (18)
C8B—C9B—C10B—C11B	1 (3)	Zn56—N319—C355—C356	−168.1 (14)
C364—C363—C367—C366	−1 (3)	Zn56—N318—C350—C351	−175.0 (18)
C403—C399—C400—C401	−1 (2)	Zn56—N318—C354—C353	174 (2)
C332—N312—C336—C335	−1 (2)	Zn70—N336—C408—C407	−174 (2)
C8A—C7A—C1A—C6A	54 (3)	Zn70—N336—C404—C405	175.7 (19)
C8A—C7A—C1A—C2A	−130.1 (19)	Zn70—N337—C409—C410	165 (2)
C8A—C13A—C12A—C11A	1 (3)	Zn70—N337—C413—C412	−162 (2)
C8A—C9A—C10A—C11A	−8 (4)	C6I—C5I—C4I—C3I	1.7 (16)
C6A—C5A—C4A—C14A	−179.4 (18)	C6I—C5I—C4I—C14I	−177 (3)
C6A—C5A—C4A—C3A	−1 (3)	C6I—C1I—C2I—C3I	−1 (3)
C6A—C1A—C2A—C3A	−2 (3)	C6I—C1I—C7I—O1I	−144 (4)
C422—N342—C426—C425	3 (3)	C6I—C1I—C7I—C8I	25 (5)
C422—C423—C424—C416	−175.7 (17)	C9I—C8I—C7I—O1I	−148 (5)
C422—C423—C424—C425	6 (3)	C9I—C8I—C7I—C1I	44 (5)
C341—N313—C337—C338	1 (3)	C12I—C13I—C8I—C9I	−5 (6)
C391—N331—C395—C394	−0.7 (19)	C12I—C13I—C8I—C7I	−178 (4)
C362—N322—C361—N321	−3 (2)	C12I—C11I—C10I—C9I	9 (6)
C362—N322—C361—C363	176.4 (13)	C5I—C6I—C1I—C2I	1.0 (16)
C362—N320—C360—N321	4 (2)	C5I—C6I—C1I—C7I	175 (2)
C362—N320—C360—C357	−175.7 (13)	C5I—C4I—C3I—C2I	−2 (3)
C362—C370—C369—C368	177.6 (18)	C13I—C12I—C11I—C10I	−10 (7)
C375—C374—C373—N325	3 (3)	C13I—C8I—C7I—O1I	25 (7)
C424—C423—C422—N342	−3 (3)	C13I—C8I—C7I—C1I	−144 (3)
C424—C425—C426—N342	0 (3)	C1I—C6I—C5I—C4I	−1.3 (13)
C381—C385—C384—N329	0 (3)	C1I—C2I—C3I—C4I	2 (3)
C338—C339—C340—C341	1 (3)	C2I—C1I—C7I—O1I	30 (5)
C435—C436—C437—N347	−4 (3)	C2I—C1I—C7I—C8I	−161 (3)
C435—C439—C438—N347	4 (3)	C8I—C9I—C10I—C11I	−7 (6)
C431—N343—C427—C428	−2 (2)	C7I—C1I—C2I—C3I	−175 (3)
C432—N344—C434—N346	3 (2)	C14I—C4I—C3I—C2I	177 (3)
C432—N344—C434—C442	−172.4 (12)	C11I—C12I—C13I—C8I	8 (7)
C432—N345—C433—N346	2 (2)	C10I—C9I—C8I—C13I	4 (6)
C432—N345—C433—C435	−176.7 (13)	C10I—C9I—C8I—C7I	177 (3)
C432—C429—C430—C431	178.6 (13)	Zn76—N319—C359—C358	177 (7)
C432—C429—C428—C427	179.8 (14)	Zn76—N319—C355—C356	−178 (4)
C13D—C8D—C9D—C10D	3 (3)	Zn76—N318—C350—C351	141 (3)
C356—C357—C358—C359	2 (3)	Zn76—N318—C354—C353	−144 (3)
C356—C357—C360—N321	−5 (2)	Zn52^v—N347—C437—C436	169.1 (16)
C356—C357—C360—N320	174.7 (14)	Zn52^v—N347—C438—C439	−169.8 (17)
C7D—C8D—C9D—C10D	173.9 (17)	Zn52—N305—C311—C310	179 (2)
C7D—C1D—C6D—C5D	175.4 (15)	Zn52—N305—C312—C313	178.8 (17)
C7D—C1D—C2D—C3D	−177.1 (16)	Zn57—N324—C372—C371	179.7 (15)
C384—N329—C383—C382	0 (3)	Zn57—N324—C368—C369	−179.6 (17)
C384—C385—C381—C379	−177.6 (16)	Zn57—N325—C373—C374	−176.7 (16)
C384—C385—C381—C382	1 (3)	Zn57—N325—C377—C376	175.5 (16)

Symmetry codes: (i) x+1, y, z; (ii) x−1, y, z−1; (iii) x−1, y+1, z−2; (iv) x+1, y, z+1; (v) x+1, y−1, z+2; (vi) x−1, y, z.

phenyl(p-tolyl)methanone (4_mbp_50_10_96b)

Crystal data

C36H24I6N12Zn3	F(000) = 5856
Mr = 1582.18	Dx = 1.307 Mg m^−3
Monoclinic, C2/c	Cu Kα radiation, λ = 1.54184 Å
a = 35.2498 (4) Å	Cell parameters from 16768 reflections
b = 14.9012 (1) Å	θ = 2.6–69.2°
c = 31.3590 (4) Å	µ = 19.32 mm^−1
β = 102.417 (1)°	T = 100 K
V = 16086.5 (3) Å^3	Block, colourless
Z = 8	0.12 × 0.09 × 0.06 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	14633 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	11920 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.022
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.6°
profile data from ω–scans	h = −41→42
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −17→16
Tmin = 0.222, Tmax = 0.467	l = −37→35
68924 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.030	H-atom parameters constrained
wR(F^2) = 0.095	w = 1/[σ^2(Fo^2) + (0.054P)^2 + 5.8687P] where P = (Fo^2 + 2Fc^2)/3
S = 1.09	(Δ/σ)max = 0.002
14633 reflections	Δρmax = 0.50 e Å^−3
598 parameters	Δρmin = −0.36 e Å^−3
21 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. No guests or solvent were identified from the electron density map, SQUEEZE has been applied to address the residual electron density within the pore. SQUEEZE analysis indicated one void with a volume of 1021 Ang**3 and an electron count of 293. This is equivalent to 6.10 cyclohexane molecules or 2.82 4-methylbenzophenone molecules.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I306	0.73143 (6)	0.73594 (13)	0.29548 (5)	0.0796 (3)	0.646 (9)
I305	0.62430 (6)	0.66425 (12)	0.19755 (5)	0.0914 (4)	0.646 (9)
I302	0.52154 (5)	−0.14160 (12)	0.12809 (5)	0.0858 (3)	0.630 (9)
I303	0.89315 (6)	−0.23812 (15)	0.39839 (8)	0.0983 (4)	0.584 (12)
I304	0.85628 (7)	−0.0898 (2)	0.50878 (8)	0.0982 (5)	0.584 (12)
I301	0.61400 (4)	−0.23901 (9)	0.05959 (5)	0.0876 (4)	0.630 (9)
Zn32	0.87577 (14)	−0.0959 (4)	0.43554 (16)	0.0637 (7)	0.584 (12)
Zn33	0.67074 (9)	0.6418 (2)	0.27097 (10)	0.0663 (5)	0.646 (9)
Zn31	0.58002 (8)	−0.1192 (2)	0.09407 (11)	0.0631 (4)	0.630 (9)
N304	0.73541 (7)	0.18968 (15)	0.30863 (8)	0.0565 (6)
N310	0.52559 (7)	0.72658 (16)	0.47065 (8)	0.0576 (6)
N303	0.72118 (7)	0.05100 (15)	0.27123 (8)	0.0541 (6)
N308	0.57660 (7)	0.77421 (16)	0.43765 (8)	0.0600 (6)
N302	0.68226 (7)	0.17854 (15)	0.24810 (8)	0.0572 (6)
N309	0.53954 (7)	0.64609 (17)	0.41051 (9)	0.0616 (6)
N305	0.83281 (7)	−0.02938 (16)	0.39223 (9)	0.0642 (7)
N306	0.68470 (8)	0.50574 (17)	0.27658 (9)	0.0676 (7)
N307	0.64029 (9)	0.65866 (18)	0.31968 (10)	0.0709 (7)
N311	0.42225 (7)	0.49159 (18)	0.44031 (9)	0.0670 (7)
N301	0.62170 (9)	−0.05303 (16)	0.14029 (9)	0.0746 (8)
N312	0.56963 (9)	1.01499 (19)	0.54805 (10)	0.0742 (8)
C306	0.69184 (8)	0.09217 (17)	0.24510 (10)	0.0557 (7)
C326	0.55400 (9)	0.7833 (2)	0.46607 (10)	0.0572 (7)
C325	0.51919 (8)	0.66058 (19)	0.44116 (10)	0.0568 (7)
C303	0.66775 (8)	0.04003 (18)	0.20877 (10)	0.0582 (7)
C309	0.77352 (8)	0.05727 (19)	0.33416 (10)	0.0566 (7)
C307	0.74169 (8)	0.10232 (19)	0.30316 (10)	0.0541 (7)
C308	0.70592 (8)	0.22438 (18)	0.27945 (10)	0.0555 (7)
C334	0.55928 (9)	0.8647 (2)	0.49462 (10)	0.0611 (8)
C324	0.56871 (9)	0.7035 (2)	0.41117 (10)	0.0601 (7)
C321	0.59351 (9)	0.6878 (2)	0.37975 (10)	0.0626 (8)
C316	0.69828 (8)	0.32245 (18)	0.27957 (10)	0.0568 (7)
C327	0.48572 (9)	0.6010 (2)	0.44148 (10)	0.0583 (7)
C302	0.67466 (9)	−0.0490 (2)	0.20142 (10)	0.0658 (8)
H302	0.695180	−0.080045	0.220275	0.079*
C335	0.53239 (9)	0.8879 (2)	0.51817 (11)	0.0654 (8)
H335	0.509635	0.852682	0.516354	0.078*
C301	0.65178 (10)	−0.0926 (2)	0.16678 (11)	0.0682 (9)
H301	0.657528	−0.153343	0.161383	0.082*
C310	0.78105 (10)	−0.0317 (2)	0.32943 (11)	0.0704 (9)
H310	0.765710	−0.065206	0.306204	0.085*
C311	0.81094 (10)	−0.0728 (2)	0.35841 (12)	0.0731 (10)
H311	0.816188	−0.134359	0.354190	0.088*
C336	0.53851 (10)	0.9633 (2)	0.54481 (11)	0.0712 (9)
H336	0.519736	0.978444	0.561282	0.085*
C317	0.72331 (10)	0.3806 (2)	0.30616 (13)	0.0745 (9)
H317	0.745523	0.358230	0.326019	0.089*
C314	0.66052 (11)	0.4501 (2)	0.25220 (14)	0.0816 (11)
H314	0.637869	0.473872	0.233597	0.098*
C318	0.71567 (11)	0.4721 (2)	0.30356 (12)	0.0763 (10)
H318	0.733155	0.511895	0.321660	0.092*
C313	0.79636 (11)	0.1025 (2)	0.36869 (12)	0.0795 (11)
H313	0.792253	0.164597	0.372864	0.095*
C315	0.66652 (11)	0.3590 (2)	0.25237 (14)	0.0814 (11)
H315	0.648565	0.321373	0.233553	0.098*
C312	0.82515 (11)	0.0570 (2)	0.39708 (13)	0.0852 (12)
H312	0.840205	0.088618	0.421181	0.102*
C331	0.46983 (10)	0.5940 (2)	0.47662 (12)	0.0712 (9)
H331	0.480432	0.627205	0.502289	0.085*
C322	0.62983 (11)	0.7250 (3)	0.38545 (13)	0.0792 (10)
H322	0.639452	0.761810	0.410145	0.095*
C323	0.65223 (12)	0.7092 (3)	0.35561 (13)	0.0827 (10)
H323	0.677403	0.735224	0.360487	0.099*
C330	0.43782 (10)	0.5383 (2)	0.47562 (12)	0.0731 (9)
H330	0.426982	0.533916	0.500780	0.088*
C319	0.60553 (14)	0.6226 (3)	0.31430 (15)	0.0991 (13)
H319	0.596578	0.586215	0.289274	0.119*
C333	0.59145 (13)	0.9183 (3)	0.49750 (14)	0.0872 (11)
H333	0.610662	0.904660	0.481374	0.105*
C320	0.58137 (12)	0.6348 (3)	0.34309 (14)	0.0937 (13)
H320	0.556546	0.607005	0.337789	0.112*
C332	0.59511 (14)	0.9930 (3)	0.52471 (15)	0.0913 (12)
H332	0.617259	1.030330	0.526526	0.110*
C304	0.63729 (14)	0.0807 (2)	0.18080 (15)	0.1118 (18)
H304	0.631780	0.142325	0.184361	0.134*
C328	0.46897 (14)	0.5527 (4)	0.40501 (14)	0.1099 (17)
H328	0.479187	0.556072	0.379384	0.132*
C329	0.43761 (14)	0.4998 (4)	0.40581 (15)	0.1115 (17)
H329	0.426265	0.467222	0.380193	0.134*
C305	0.61512 (15)	0.0324 (2)	0.14808 (16)	0.123 (2)
H305	0.593684	0.061413	0.129699	0.148*
I403	0.88880 (15)	−0.23612 (19)	0.4091 (3)	0.1317 (12)	0.416 (12)
Zn42	0.8744 (2)	−0.0882 (6)	0.4407 (3)	0.0839 (17)	0.416 (12)
I404	0.85381 (13)	−0.0762 (4)	0.51251 (16)	0.1268 (12)	0.416 (12)
I402	0.5305 (2)	−0.1553 (4)	0.1203 (2)	0.1345 (14)	0.370 (9)
Zn41	0.5885 (2)	−0.1217 (4)	0.0877 (2)	0.1006 (18)	0.370 (9)
I401	0.6273 (3)	−0.2295 (2)	0.05203 (14)	0.1409 (16)	0.370 (9)
I405	0.6349 (2)	0.6742 (3)	0.20148 (15)	0.1154 (10)	0.354 (9)
Zn43	0.6765 (2)	0.6445 (4)	0.2769 (2)	0.0858 (15)	0.354 (9)
I406	0.7410 (2)	0.7242 (3)	0.3061 (3)	0.1115 (13)	0.354 (9)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I306	0.0983 (6)	0.0435 (4)	0.1011 (7)	−0.0129 (4)	0.0305 (5)	−0.0146 (3)
I305	0.1304 (7)	0.0582 (4)	0.0728 (5)	0.0051 (5)	−0.0068 (7)	0.0089 (3)
I302	0.0956 (5)	0.0830 (5)	0.0690 (4)	−0.0383 (3)	−0.0044 (5)	0.0019 (4)
I303	0.1216 (7)	0.0531 (5)	0.1071 (7)	0.0193 (4)	−0.0042 (12)	0.0001 (4)
I304	0.0801 (7)	0.1277 (9)	0.0814 (7)	0.0145 (9)	0.0052 (5)	0.0425 (6)
I301	0.1157 (8)	0.0438 (3)	0.0878 (5)	0.0054 (3)	−0.0128 (3)	−0.0025 (3)
Zn32	0.0588 (13)	0.0488 (12)	0.0724 (10)	−0.0040 (9)	−0.0106 (10)	0.0111 (8)
Zn33	0.0858 (8)	0.0360 (9)	0.0717 (7)	0.0046 (6)	0.0053 (7)	−0.0019 (5)
Zn31	0.0765 (8)	0.0407 (7)	0.0568 (7)	−0.0132 (5)	−0.0193 (5)	0.0048 (5)
N304	0.0634 (14)	0.0339 (12)	0.0631 (14)	−0.0067 (10)	−0.0065 (11)	−0.0009 (10)
N310	0.0613 (14)	0.0462 (13)	0.0536 (13)	−0.0002 (11)	−0.0135 (11)	−0.0064 (10)
N303	0.0573 (13)	0.0323 (11)	0.0616 (14)	−0.0074 (10)	−0.0119 (11)	0.0012 (10)
N308	0.0620 (14)	0.0485 (14)	0.0598 (14)	−0.0010 (11)	−0.0086 (12)	−0.0039 (11)
N302	0.0587 (13)	0.0323 (11)	0.0698 (15)	−0.0058 (10)	−0.0103 (11)	0.0010 (10)
N309	0.0585 (14)	0.0527 (15)	0.0644 (15)	−0.0005 (11)	−0.0067 (12)	−0.0131 (12)
N305	0.0635 (14)	0.0416 (13)	0.0740 (16)	−0.0103 (11)	−0.0150 (12)	0.0094 (12)
N306	0.0781 (17)	0.0385 (13)	0.0829 (18)	0.0037 (12)	0.0098 (14)	−0.0025 (12)
N307	0.0839 (19)	0.0454 (14)	0.0817 (19)	0.0016 (13)	0.0143 (15)	−0.0056 (13)
N311	0.0610 (14)	0.0523 (15)	0.0737 (17)	−0.0042 (12)	−0.0163 (13)	−0.0020 (13)
N301	0.0954 (19)	0.0338 (13)	0.0723 (16)	−0.0078 (12)	−0.0313 (14)	0.0083 (11)
N312	0.0884 (19)	0.0507 (16)	0.0680 (17)	−0.0011 (15)	−0.0170 (15)	−0.0041 (13)
C306	0.0585 (15)	0.0327 (14)	0.0660 (17)	−0.0063 (12)	−0.0086 (13)	0.0043 (12)
C326	0.0607 (17)	0.0456 (16)	0.0539 (16)	0.0005 (13)	−0.0126 (13)	−0.0036 (13)
C325	0.0550 (15)	0.0469 (16)	0.0587 (17)	0.0015 (12)	−0.0100 (13)	−0.0044 (13)
C303	0.0636 (16)	0.0315 (14)	0.0668 (17)	−0.0082 (12)	−0.0143 (14)	0.0032 (12)
C309	0.0592 (16)	0.0395 (15)	0.0612 (17)	−0.0082 (12)	−0.0088 (13)	0.0043 (12)
C307	0.0556 (15)	0.0371 (14)	0.0612 (16)	−0.0063 (12)	−0.0057 (13)	0.0043 (12)
C308	0.0577 (15)	0.0365 (14)	0.0649 (17)	−0.0051 (12)	−0.0034 (13)	0.0027 (12)
C334	0.0694 (18)	0.0453 (16)	0.0560 (16)	−0.0014 (14)	−0.0143 (14)	−0.0049 (13)
C324	0.0597 (17)	0.0503 (17)	0.0622 (17)	0.0030 (14)	−0.0047 (14)	−0.0089 (14)
C321	0.0651 (18)	0.0497 (17)	0.0657 (18)	0.0009 (14)	−0.0019 (14)	−0.0057 (14)
C316	0.0587 (16)	0.0362 (14)	0.0699 (18)	−0.0019 (12)	0.0014 (13)	−0.0038 (13)
C327	0.0603 (16)	0.0450 (16)	0.0600 (17)	0.0038 (13)	−0.0085 (14)	−0.0083 (13)
C302	0.0723 (19)	0.0421 (16)	0.0679 (19)	0.0009 (14)	−0.0181 (15)	0.0012 (14)
C335	0.0620 (17)	0.0518 (17)	0.0684 (19)	0.0063 (14)	−0.0167 (15)	−0.0142 (15)
C301	0.081 (2)	0.0367 (15)	0.0711 (19)	−0.0026 (14)	−0.0178 (16)	0.0000 (13)
C310	0.0730 (19)	0.0407 (16)	0.080 (2)	−0.0039 (14)	−0.0233 (16)	−0.0057 (14)
C311	0.078 (2)	0.0359 (15)	0.085 (2)	−0.0040 (14)	−0.0270 (17)	0.0028 (15)
C336	0.077 (2)	0.0528 (18)	0.0675 (19)	0.0111 (16)	−0.0193 (16)	−0.0107 (15)
C317	0.076 (2)	0.0425 (17)	0.090 (2)	−0.0025 (15)	−0.0159 (17)	−0.0067 (16)
C314	0.087 (2)	0.0418 (18)	0.102 (3)	0.0070 (16)	−0.012 (2)	−0.0080 (17)
C318	0.090 (2)	0.0410 (17)	0.085 (2)	−0.0112 (16)	−0.0080 (19)	−0.0065 (16)
C313	0.089 (2)	0.0374 (16)	0.089 (2)	−0.0022 (15)	−0.0315 (19)	−0.0025 (15)
C315	0.085 (2)	0.0403 (17)	0.100 (3)	0.0032 (16)	−0.020 (2)	−0.0103 (17)
C312	0.093 (2)	0.0445 (18)	0.091 (2)	−0.0068 (17)	−0.041 (2)	−0.0023 (17)
C331	0.072 (2)	0.062 (2)	0.070 (2)	−0.0115 (16)	−0.0053 (16)	−0.0180 (16)
C322	0.083 (2)	0.079 (2)	0.073 (2)	−0.0149 (19)	0.0091 (18)	−0.0192 (18)
C323	0.083 (2)	0.073 (2)	0.091 (3)	−0.0161 (19)	0.016 (2)	−0.017 (2)
C330	0.075 (2)	0.060 (2)	0.078 (2)	−0.0038 (16)	0.0021 (17)	−0.0070 (17)
C319	0.102 (3)	0.102 (3)	0.093 (3)	−0.018 (3)	0.019 (2)	−0.040 (3)
C333	0.101 (3)	0.070 (2)	0.089 (3)	−0.026 (2)	0.019 (2)	−0.025 (2)
C320	0.084 (2)	0.104 (3)	0.091 (3)	−0.023 (2)	0.015 (2)	−0.040 (2)
C332	0.101 (3)	0.068 (2)	0.100 (3)	−0.032 (2)	0.011 (2)	−0.019 (2)
C304	0.133 (3)	0.0346 (18)	0.123 (3)	0.0138 (19)	−0.072 (3)	−0.0104 (19)
C328	0.111 (3)	0.139 (4)	0.078 (3)	−0.064 (3)	0.019 (2)	−0.043 (3)
C329	0.113 (3)	0.139 (4)	0.081 (3)	−0.066 (3)	0.016 (2)	−0.046 (3)
C305	0.144 (4)	0.043 (2)	0.130 (4)	0.013 (2)	−0.084 (3)	−0.011 (2)
I403	0.1488 (18)	0.0431 (6)	0.150 (2)	0.0224 (10)	−0.0868 (14)	−0.0098 (10)
Zn42	0.080 (3)	0.0479 (16)	0.096 (3)	−0.0107 (16)	−0.0423 (19)	0.0136 (16)
I404	0.1078 (19)	0.144 (2)	0.1125 (16)	−0.0356 (15)	−0.0123 (12)	0.0544 (13)
I402	0.144 (2)	0.0958 (15)	0.1229 (19)	−0.0617 (15)	−0.0623 (15)	0.0488 (14)
Zn41	0.162 (4)	0.0335 (11)	0.074 (2)	−0.004 (2)	−0.048 (2)	0.0074 (12)
I401	0.234 (4)	0.0527 (8)	0.1138 (11)	0.0434 (15)	−0.0108 (19)	0.0102 (8)
I405	0.170 (3)	0.0725 (14)	0.1187 (19)	0.0495 (15)	0.0634 (15)	0.0362 (11)
Zn43	0.128 (3)	0.0321 (14)	0.115 (3)	−0.0019 (19)	0.065 (3)	−0.0067 (19)
I406	0.117 (2)	0.0446 (10)	0.196 (3)	−0.0244 (12)	0.085 (2)	−0.0341 (15)

Geometric parameters (Å, º)

I306—Zn33	2.536 (4)	C334—C335	1.365 (5)
I305—Zn33	2.544 (3)	C334—C333	1.374 (5)
I302—Zn31	2.539 (3)	C324—C321	1.470 (5)
I303—Zn32	2.556 (5)	C321—C322	1.371 (5)
I304—Zn32	2.536 (5)	C321—C320	1.385 (5)
I301—Zn31	2.520 (3)	C316—C317	1.381 (4)
Zn32—N305	2.058 (5)	C316—C315	1.366 (4)
Zn32—N311^i	2.074 (6)	C327—C331	1.343 (5)
Zn33—N306	2.084 (4)	C327—C328	1.373 (5)
Zn33—N307	2.062 (5)	C302—H302	0.9500
Zn31—N301	2.077 (4)	C302—C301	1.370 (4)
Zn31—N312^ii	2.098 (4)	C335—H335	0.9500
N304—C307	1.338 (4)	C335—C336	1.389 (4)
N304—C308	1.333 (4)	C301—H301	0.9500
N310—C326	1.341 (4)	C310—H310	0.9500
N310—C325	1.335 (4)	C310—C311	1.378 (4)
N303—C306	1.324 (3)	C311—H311	0.9500
N303—C307	1.341 (3)	C336—H336	0.9500
N308—C326	1.324 (4)	C317—H317	0.9500
N308—C324	1.333 (4)	C317—C318	1.389 (5)
N302—C306	1.339 (4)	C314—H314	0.9500
N302—C308	1.333 (4)	C314—C315	1.374 (5)
N309—C325	1.335 (4)	C318—H318	0.9500
N309—C324	1.335 (4)	C313—H313	0.9500
N305—C311	1.337 (4)	C313—C312	1.376 (5)
N305—C312	1.331 (4)	C315—H315	0.9500
N305—Zn42	2.065 (7)	C312—H312	0.9500
N306—C314	1.310 (4)	C331—H331	0.9500
N306—C318	1.327 (4)	C331—C330	1.396 (5)
N306—Zn43	2.088 (7)	C322—H322	0.9500
N307—C323	1.346 (5)	C322—C323	1.368 (5)
N307—C319	1.315 (5)	C323—H323	0.9500
N307—Zn43	2.052 (7)	C330—H330	0.9500
N311—C330	1.323 (4)	C319—H319	0.9500
N311—C329	1.315 (5)	C319—C320	1.380 (6)
N311—Zn42^iii	2.067 (9)	C333—H333	0.9500
N301—C301	1.336 (4)	C333—C332	1.393 (5)
N301—C305	1.327 (5)	C320—H320	0.9500
N301—Zn41	2.075 (6)	C332—H332	0.9500
N312—C336	1.326 (5)	C304—H304	0.9500
N312—C332	1.316 (5)	C304—C305	1.355 (5)
N312—Zn41^iv	2.040 (7)	C328—H328	0.9500
C306—C303	1.486 (4)	C328—C329	1.362 (6)
C326—C334	1.495 (4)	C329—H329	0.9500
C325—C327	1.478 (4)	C305—H305	0.9500
C303—C302	1.378 (4)	I403—Zn42	2.513 (8)
C303—C304	1.373 (4)	Zn42—I404	2.516 (7)
C309—C307	1.478 (4)	I402—Zn41	2.525 (6)
C309—C310	1.367 (4)	Zn41—I401	2.521 (6)
C309—C313	1.378 (4)	I405—Zn43	2.539 (6)
C308—C316	1.486 (4)	Zn43—I406	2.555 (7)
I304—Zn32—I303	125.5 (2)	C303—C302—H302	120.2
N305—Zn32—I303	108.2 (2)	C301—C302—C303	119.6 (3)
N305—Zn32—I304	106.0 (2)	C301—C302—H302	120.2
N305—Zn32—N311^i	101.7 (2)	C334—C335—H335	120.2
N311^i—Zn32—I303	106.9 (2)	C334—C335—C336	119.6 (3)
N311^i—Zn32—I304	106.0 (2)	C336—C335—H335	120.2
I306—Zn33—I305	122.56 (15)	N301—C301—C302	122.5 (3)
N306—Zn33—I306	110.13 (15)	N301—C301—H301	118.8
N306—Zn33—I305	107.38 (16)	C302—C301—H301	118.8
N307—Zn33—I306	104.34 (16)	C309—C310—H310	120.0
N307—Zn33—I305	108.54 (16)	C309—C310—C311	119.9 (3)
N307—Zn33—N306	101.96 (19)	C311—C310—H310	120.0
I301—Zn31—I302	126.24 (14)	N305—C311—C310	122.4 (3)
N301—Zn31—I302	106.59 (17)	N305—C311—H311	118.8
N301—Zn31—I301	107.79 (15)	C310—C311—H311	118.8
N301—Zn31—N312^ii	96.96 (17)	N312—C336—C335	122.3 (4)
N312^ii—Zn31—I302	110.44 (17)	N312—C336—H336	118.8
N312^ii—Zn31—I301	104.95 (16)	C335—C336—H336	118.8
C308—N304—C307	114.6 (2)	C316—C317—H317	120.3
C325—N310—C326	114.1 (3)	C316—C317—C318	119.3 (3)
C306—N303—C307	115.0 (2)	C318—C317—H317	120.3
C326—N308—C324	115.1 (3)	N306—C314—H314	118.6
C308—N302—C306	114.6 (2)	N306—C314—C315	122.8 (3)
C324—N309—C325	114.6 (3)	C315—C314—H314	118.6
C311—N305—Zn32	120.5 (3)	N306—C318—C317	122.0 (3)
C311—N305—Zn42	125.1 (3)	N306—C318—H318	119.0
C312—N305—Zn32	121.9 (3)	C317—C318—H318	119.0
C312—N305—C311	117.6 (3)	C309—C313—H313	120.3
C312—N305—Zn42	117.1 (3)	C312—C313—C309	119.5 (3)
C314—N306—Zn33	117.0 (2)	C312—C313—H313	120.3
C314—N306—C318	118.4 (3)	C316—C315—C314	120.1 (3)
C314—N306—Zn43	123.7 (3)	C316—C315—H315	120.0
C318—N306—Zn33	124.6 (2)	C314—C315—H315	120.0
C318—N306—Zn43	117.8 (3)	N305—C312—C313	122.8 (3)
C323—N307—Zn33	124.7 (3)	N305—C312—H312	118.6
C323—N307—Zn43	118.6 (3)	C313—C312—H312	118.6
C319—N307—Zn33	118.3 (3)	C327—C331—H331	119.8
C319—N307—C323	116.8 (3)	C327—C331—C330	120.4 (3)
C319—N307—Zn43	124.6 (3)	C330—C331—H331	119.8
C330—N311—Zn32^iii	124.8 (3)	C321—C322—H322	120.0
C330—N311—Zn42^iii	119.3 (3)	C323—C322—C321	120.1 (3)
C329—N311—Zn32^iii	117.2 (3)	C323—C322—H322	120.0
C329—N311—C330	118.0 (3)	N307—C323—C322	123.1 (4)
C329—N311—Zn42^iii	122.6 (3)	N307—C323—H323	118.4
C301—N301—Zn31	124.9 (2)	C322—C323—H323	118.4
C301—N301—Zn41	120.8 (3)	N311—C330—C331	121.3 (4)
C305—N301—Zn31	117.3 (2)	N311—C330—H330	119.3
C305—N301—C301	117.2 (3)	C331—C330—H330	119.3
C305—N301—Zn41	121.9 (3)	N307—C319—H319	118.3
C336—N312—Zn31^iv	120.1 (3)	N307—C319—C320	123.4 (4)
C336—N312—Zn41^iv	130.9 (4)	C320—C319—H319	118.3
C332—N312—Zn31^iv	121.8 (3)	C334—C333—H333	120.9
C332—N312—C336	117.7 (3)	C334—C333—C332	118.1 (4)
C332—N312—Zn41^iv	111.1 (4)	C332—C333—H333	120.9
N303—C306—N302	125.3 (3)	C321—C320—H320	120.2
N303—C306—C303	118.3 (2)	C319—C320—C321	119.6 (4)
N302—C306—C303	116.4 (2)	C319—C320—H320	120.2
N310—C326—C334	116.5 (3)	N312—C332—C333	123.7 (4)
N308—C326—N310	125.4 (3)	N312—C332—H332	118.1
N308—C326—C334	118.1 (3)	C333—C332—H332	118.1
N310—C325—C327	117.0 (3)	C303—C304—H304	120.2
N309—C325—N310	125.5 (3)	C305—C304—C303	119.6 (3)
N309—C325—C327	117.5 (3)	C305—C304—H304	120.2
C302—C303—C306	122.7 (3)	C327—C328—H328	120.2
C304—C303—C306	119.9 (3)	C329—C328—C327	119.6 (4)
C304—C303—C302	117.4 (3)	C329—C328—H328	120.2
C310—C309—C307	120.5 (3)	N311—C329—C328	123.2 (4)
C310—C309—C313	117.7 (3)	N311—C329—H329	118.4
C313—C309—C307	121.8 (3)	C328—C329—H329	118.4
N304—C307—N303	125.0 (2)	N301—C305—C304	123.6 (3)
N304—C307—C309	118.7 (2)	N301—C305—H305	118.2
N303—C307—C309	116.3 (2)	C304—C305—H305	118.2
N304—C308—C316	119.7 (2)	N305—Zn42—N311^i	101.7 (3)
N302—C308—N304	125.4 (3)	N305—Zn42—I403	104.7 (3)
N302—C308—C316	114.9 (2)	N305—Zn42—I404	109.5 (3)
C335—C334—C326	121.2 (3)	N311^i—Zn42—I403	105.5 (3)
C335—C334—C333	118.4 (3)	N311^i—Zn42—I404	110.9 (4)
C333—C334—C326	120.4 (3)	I403—Zn42—I404	122.5 (3)
N308—C324—N309	125.0 (3)	N301—Zn41—I402	98.2 (3)
N308—C324—C321	118.0 (3)	N301—Zn41—I401	113.6 (3)
N309—C324—C321	117.1 (3)	N312^ii—Zn41—N301	98.9 (3)
C322—C321—C324	121.4 (3)	N312^ii—Zn41—I402	102.4 (3)
C322—C321—C320	116.9 (3)	N312^ii—Zn41—I401	111.3 (3)
C320—C321—C324	121.7 (3)	I401—Zn41—I402	128.1 (3)
C317—C316—C308	121.7 (3)	N306—Zn43—I405	102.8 (3)
C315—C316—C308	121.0 (3)	N306—Zn43—I406	110.4 (3)
C315—C316—C317	117.3 (3)	N307—Zn43—N306	102.2 (3)
C331—C327—C325	121.8 (3)	N307—Zn43—I405	105.9 (3)
C331—C327—C328	117.5 (3)	N307—Zn43—I406	110.4 (3)
C328—C327—C325	120.7 (3)	I405—Zn43—I406	123.0 (3)
Zn32—N305—C311—C310	177.9 (3)	C307—C309—C310—C311	179.6 (3)
Zn32—N305—C312—C313	−179.5 (4)	C307—C309—C313—C312	178.8 (4)
Zn32^iii—N311—C330—C331	178.2 (3)	C308—N304—C307—N303	0.7 (4)
Zn32^iii—N311—C329—C328	−177.9 (5)	C308—N304—C307—C309	−179.4 (3)
Zn33—N306—C314—C315	179.2 (4)	C308—N302—C306—N303	2.5 (5)
Zn33—N306—C318—C317	179.4 (3)	C308—N302—C306—C303	−176.2 (3)
Zn33—N307—C323—C322	174.3 (3)	C308—C316—C317—C318	177.2 (3)
Zn33—N307—C319—C320	−175.2 (4)	C308—C316—C315—C314	−178.3 (4)
Zn31—N301—C301—C302	−168.8 (3)	C334—C335—C336—N312	0.7 (5)
Zn31—N301—C305—C304	171.9 (5)	C334—C333—C332—N312	0.5 (7)
Zn31^iv—N312—C336—C335	−173.2 (3)	C324—N308—C326—N310	2.2 (4)
Zn31^iv—N312—C332—C333	172.5 (4)	C324—N308—C326—C334	−175.6 (3)
N304—C308—C316—C317	6.9 (5)	C324—N309—C325—N310	0.9 (4)
N304—C308—C316—C315	−174.8 (3)	C324—N309—C325—C327	178.2 (3)
N310—C326—C334—C335	−11.3 (4)	C324—C321—C322—C323	−179.9 (4)
N310—C326—C334—C333	169.0 (3)	C324—C321—C320—C319	179.5 (4)
N310—C325—C327—C331	−20.1 (4)	C321—C322—C323—N307	0.7 (6)
N310—C325—C327—C328	157.9 (4)	C316—C317—C318—N306	0.8 (6)
N303—C306—C303—C302	0.3 (5)	C327—C331—C330—N311	−0.3 (5)
N303—C306—C303—C304	−179.5 (4)	C327—C328—C329—N311	−0.5 (9)
N308—C326—C334—C335	166.7 (3)	C302—C303—C304—C305	1.1 (8)
N308—C326—C334—C333	−13.0 (4)	C335—C334—C333—C332	0.7 (6)
N308—C324—C321—C322	19.8 (5)	C301—N301—C305—C304	0.6 (8)
N308—C324—C321—C320	−160.3 (4)	C310—C309—C307—N304	−179.4 (3)
N302—C306—C303—C302	179.1 (3)	C310—C309—C307—N303	0.5 (5)
N302—C306—C303—C304	−0.7 (5)	C310—C309—C313—C312	−0.8 (6)
N302—C308—C316—C317	−171.3 (3)	C311—N305—C312—C313	−0.8 (6)
N302—C308—C316—C315	7.0 (5)	C336—N312—C332—C333	−1.0 (6)
N309—C325—C327—C331	162.4 (3)	C317—C316—C315—C314	0.0 (6)
N309—C325—C327—C328	−19.7 (5)	C314—N306—C318—C317	0.9 (6)
N309—C324—C321—C322	−161.1 (3)	C318—N306—C314—C315	−2.1 (6)
N309—C324—C321—C320	18.8 (5)	C313—C309—C307—N304	0.9 (5)
N306—C314—C315—C316	1.7 (7)	C313—C309—C307—N303	−179.1 (3)
N307—C319—C320—C321	0.3 (8)	C313—C309—C310—C311	−0.7 (6)
C306—N303—C307—N304	−2.8 (5)	C315—C316—C317—C318	−1.2 (6)
C306—N303—C307—C309	177.2 (3)	C312—N305—C311—C310	−0.8 (6)
C306—N302—C308—N304	−5.0 (5)	C331—C327—C328—C329	−0.5 (7)
C306—N302—C308—C316	173.0 (3)	C322—C321—C320—C319	−0.6 (6)
C306—C303—C302—C301	−178.7 (3)	C323—N307—C319—C320	0.5 (7)
C306—C303—C304—C305	−179.1 (5)	C330—N311—C329—C328	1.1 (8)
C326—N310—C325—N309	3.3 (4)	C319—N307—C323—C322	−1.0 (6)
C326—N310—C325—C327	−174.0 (2)	C333—C334—C335—C336	−1.2 (5)
C326—N308—C324—N309	2.8 (4)	C320—C321—C322—C323	0.1 (6)
C326—N308—C324—C321	−178.1 (3)	C332—N312—C336—C335	0.4 (5)
C326—C334—C335—C336	179.2 (3)	C304—C303—C302—C301	1.0 (6)
C326—C334—C333—C332	−179.7 (3)	C328—C327—C331—C330	0.9 (6)
C325—N310—C326—N308	−5.0 (4)	C329—N311—C330—C331	−0.7 (6)
C325—N310—C326—C334	172.8 (2)	C305—N301—C301—C302	1.7 (6)
C325—N309—C324—N308	−4.3 (4)	Zn42—N305—C311—C310	173.5 (4)
C325—N309—C324—C321	176.7 (3)	Zn42—N305—C312—C313	−175.6 (4)
C325—C327—C331—C330	178.9 (3)	Zn42^iii—N311—C330—C331	−179.1 (4)
C325—C327—C328—C329	−178.5 (5)	Zn42^iii—N311—C329—C328	179.5 (5)
C303—C302—C301—N301	−2.5 (6)	Zn41—N301—C301—C302	179.1 (4)
C303—C304—C305—N301	−2.0 (10)	Zn41—N301—C305—C304	−176.7 (6)
C309—C310—C311—N305	1.6 (6)	Zn41^iv—N312—C336—C335	−174.0 (3)
C309—C313—C312—N305	1.7 (7)	Zn41^iv—N312—C332—C333	174.5 (4)
C307—N304—C308—N302	3.5 (5)	Zn43—N306—C314—C315	179.8 (4)
C307—N304—C308—C316	−174.4 (3)	Zn43—N306—C318—C317	179.1 (4)
C307—N303—C306—N302	1.1 (5)	Zn43—N307—C323—C322	178.0 (4)
C307—N303—C306—C303	179.8 (3)	Zn43—N307—C319—C320	−178.5 (4)

Symmetry codes: (i) x+1/2, y−1/2, z; (ii) x, −y+1, z−1/2; (iii) x−1/2, y+1/2, z; (iv) x, −y+1, z+1/2.

phenyl(p-tolyl)methanone (absorbed in crystalline sponge) (4_mbp_50_10_96c)

Crystal data

C72H48I12N24Zn6·1.655(C14H12O)	Z = 2
Mr = 3489.13	F(000) = 3272
Triclinic, P1	Dx = 1.437 Mg m^−3
a = 15.0552 (6) Å	Cu Kα radiation, λ = 1.54184 Å
b = 18.9430 (7) Å	Cell parameters from 22451 reflections
c = 30.8258 (9) Å	θ = 2.6–68.4°
α = 99.996 (3)°	µ = 19.33 mm^−1
β = 93.338 (3)°	T = 100 K
γ = 110.091 (3)°	Block, colourless
V = 8064.7 (5) Å^3	0.31 × 0.12 × 0.08 mm

Data collection

Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector	29370 independent reflections
Radiation source: Rotating anode, Rigaku 007 HF	20540 reflections with I > 2σ(I)
Arc)Sec VHF Varimax focusing mirrors monochromator	Rint = 0.086
Detector resolution: 10 pixels mm^-1	θmax = 68.3°, θmin = 2.5°
profile data from ω–scans	h = −18→17
Absorption correction: analytical CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −22→22
Tmin = 0.072, Tmax = 0.353	l = −34→37
113925 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.183	H-atom parameters constrained
wR(F^2) = 0.527	w = 1/[σ^2(Fo^2) + (0.2661P)^2 + 530.3491P] where P = (Fo^2 + 2Fc^2)/3
S = 1.03	(Δ/σ)max = 0.001
29370 reflections	Δρmax = 3.49 e Å^−3
1440 parameters	Δρmin = −2.01 e Å^−3
392 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. All non-hydrogen atoms for framework and guest molecules were resolved from the electron difference map (EDM). During initial structure refinement, the isotropic Uij values of the guest atoms were fixed at 0.08 and the linked occupancy allowed to refine freely. The molecular occupancy for each guest molecule was then fixed for all subsequent refinements.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
I302	0.66794 (17)	1.03458 (13)	1.13684 (7)	0.0643 (6)	0.912 (3)
I305	−0.2270 (4)	0.7200 (2)	1.0022 (2)	0.071 (2)	0.5897
I403	0.406 (8)	1.455 (5)	0.769 (4)	0.0781 (7)	0.016 (4)
I307	−0.6195 (5)	0.0573 (3)	0.62482 (19)	0.072 (3)	0.614
I306	−0.3232 (4)	0.8160 (3)	0.8936 (2)	0.0693 (19)	0.5897
I308	−0.6309 (4)	0.2262 (3)	0.54048 (19)	0.0685 (16)	0.614
I412	1.1076 (6)	0.7406 (7)	0.4296 (3)	0.072 (3)	0.41 (3)
Zn31	0.6909 (2)	1.1512 (2)	1.10209 (12)	0.0458 (8)	0.912 (3)
I410	−0.0508 (12)	0.2404 (9)	0.2126 (6)	0.084 (5)	0.24 (3)
Zn33	−0.2098 (5)	0.7638 (4)	0.9287 (3)	0.060 (3)	0.5897
I411	0.8854 (7)	0.6673 (8)	0.5220 (3)	0.101 (4)	0.41 (3)
Zn42	0.276 (6)	1.324 (4)	0.7604 (15)	0.0607 (10)	0.016 (4)
Zn34	−0.5416 (5)	0.1641 (4)	0.5844 (2)	0.057 (4)	0.614
I409	−0.007 (2)	0.4611 (11)	0.3068 (11)	0.153 (12)	0.24 (3)
Zn46	0.9436 (9)	0.7206 (10)	0.4548 (4)	0.066 (5)	0.41 (3)
Zn45	0.0282 (10)	0.3383 (9)	0.2844 (6)	0.070 (8)	0.24 (3)
N304	0.1857 (15)	1.0790 (12)	0.9059 (8)	0.057 (5)
N301	0.5758 (14)	1.1289 (10)	1.0552 (7)	0.047 (5)
N305	0.2889 (14)	1.2864 (12)	0.8183 (7)	0.054 (5)
N306	−0.0781 (16)	0.8470 (13)	0.9329 (9)	0.067 (7)
N303	0.3449 (14)	1.1532 (10)	0.9398 (7)	0.049 (5)
C325	−0.0664 (15)	0.4241 (15)	0.7661 (10)	0.062 (8)
N318	−0.0124 (17)	0.2798 (17)	0.3326 (10)	0.080 (8)
N302	0.2516 (14)	1.0438 (11)	0.9672 (8)	0.056 (5)
N309	−0.0734 (14)	0.4875 (12)	0.7973 (7)	0.057 (6)
N316	−0.1069 (18)	0.0678 (15)	0.4221 (9)	0.077 (8)
N323	0.6611 (15)	0.2281 (13)	0.1499 (7)	0.056 (5)
C308	0.1821 (17)	1.0356 (14)	0.9366 (9)	0.054 (6)
N310	−0.1328 (16)	0.3810 (14)	0.7356 (8)	0.071 (7)
C305	0.4974 (17)	1.0648 (13)	1.0498 (8)	0.047 (5)
H305	0.496423	1.025414	1.065345	0.056*
N320	0.5381 (19)	0.4674 (14)	0.3134 (9)	0.071 (7)
N313	−0.4562 (17)	0.1282 (16)	0.5422 (8)	0.067 (7)
N311	0.1920 (16)	0.3826 (14)	0.7713 (8)	0.062 (6)
N308	−0.2296 (15)	0.4536 (14)	0.7596 (8)	0.060 (6)
N322	0.6558 (13)	0.4327 (13)	0.2764 (9)	0.064 (7)
C306	0.3339 (17)	1.1042 (14)	0.9669 (10)	0.056 (7)
C339	−0.3104 (19)	0.1053 (16)	0.4968 (9)	0.056 (6)
N321	0.4906 (15)	0.3579 (14)	0.2530 (8)	0.069 (7)
C327	0.0231 (17)	0.4107 (13)	0.7693 (9)	0.050 (6)
C363	0.6103 (18)	0.3255 (13)	0.2151 (8)	0.049 (6)
C301	0.5764 (16)	1.1820 (15)	1.0327 (9)	0.055 (7)
H301	0.633452	1.225631	1.036117	0.067*
C360	0.4724 (16)	0.4068 (16)	0.2846 (9)	0.052 (6)
C307	0.2655 (19)	1.1365 (17)	0.9104 (10)	0.062 (7)
C332	−0.4511 (17)	0.3031 (18)	0.6582 (10)	0.076 (9)
H332	−0.511561	0.308145	0.654746	0.091*
C309	0.274 (2)	1.1910 (17)	0.8792 (9)	0.061 (7)
N314	−0.2029 (18)	0.1387 (14)	0.4421 (8)	0.069 (7)
C313	0.220 (2)	1.1630 (18)	0.8368 (11)	0.082 (11)
H313	0.174771	1.112199	0.828537	0.098*
N312	−0.4331 (17)	0.2484 (17)	0.6298 (9)	0.081 (8)
C316	0.0913 (18)	0.9714 (15)	0.9344 (9)	0.055 (6)
C324	−0.1555 (19)	0.4966 (14)	0.7911 (9)	0.056 (7)
C318	−0.0524 (18)	0.8745 (19)	0.8954 (13)	0.077 (10)
H318	−0.095044	0.851664	0.868655	0.093*
N307	−0.1928 (16)	0.6758 (13)	0.8839 (9)	0.065 (6)
N315	−0.2076 (19)	0.0359 (15)	0.4751 (8)	0.071 (7)
C320	−0.0941 (16)	0.6106 (16)	0.8534 (9)	0.067 (9)
H320	−0.032635	0.607153	0.853298	0.080*
C322	−0.2578 (16)	0.5667 (16)	0.8244 (10)	0.062 (8)
H322	−0.310496	0.532131	0.803742	0.074*
C312	0.236 (2)	1.211 (2)	0.8089 (12)	0.080 (10)
H312	0.207284	1.189391	0.779047	0.097*
C304	0.4174 (18)	1.0568 (13)	1.0212 (8)	0.050 (6)
H304	0.361175	1.012712	1.018296	0.061*
N317	−0.080 (2)	−0.1785 (19)	0.4524 (12)	0.092 (10)
C303	0.4190 (16)	1.1113 (13)	0.9973 (8)	0.048 (5)
C366	0.7255 (17)	0.2934 (18)	0.1729 (10)	0.066 (8)
H366	0.789462	0.307678	0.166318	0.079*
C334	−0.2909 (18)	0.3486 (18)	0.6958 (9)	0.068 (8)
C336	−0.345 (2)	0.244 (2)	0.6338 (12)	0.100 (11)
H336	−0.332859	0.206301	0.612649	0.120*
N319	0.174 (2)	0.3672 (19)	0.2896 (11)	0.085 (9)
C311	0.340 (2)	1.3096 (18)	0.8581 (11)	0.079 (10)
H311	0.385534	1.360587	0.865712	0.094*
C343	−0.144 (2)	0.0245 (17)	0.4501 (11)	0.067 (8)
N324	0.8465 (18)	0.6480 (15)	0.4015 (8)	0.073 (7)
C315	0.0677 (18)	0.9377 (17)	0.9713 (10)	0.066 (8)
H315	0.111236	0.956983	0.997835	0.079*
C369	0.684 (2)	0.584 (2)	0.3758 (15)	0.107 (16)
H369	0.619841	0.577795	0.379438	0.128*
C340	−0.338 (3)	0.170 (2)	0.4939 (14)	0.089 (11)
H340	−0.304871	0.208399	0.478161	0.107*
C319	−0.1103 (17)	0.6686 (16)	0.8823 (10)	0.062 (8)
H319	−0.057713	0.705322	0.902207	0.075*
C321	−0.1714 (19)	0.5583 (17)	0.8248 (10)	0.068 (8)
C367	0.7028 (19)	0.3419 (16)	0.2063 (10)	0.068 (8)
H367	0.751694	0.386656	0.223059	0.082*
C338	−0.355 (2)	0.0584 (17)	0.5231 (11)	0.074 (9)
H338	−0.338161	0.015673	0.526387	0.088*
C370	0.7017 (19)	0.5350 (15)	0.3405 (9)	0.056 (6)
C361	0.5856 (18)	0.3751 (16)	0.2502 (8)	0.052 (6)
C310	0.331 (3)	1.2645 (18)	0.8884 (11)	0.078 (10)
H310	0.367114	1.285890	0.917019	0.093*
C6A	−0.2751 (19)	0.2868 (14)	0.9651 (10)	0.067 (8)	0.8902
H6A	−0.221344	0.290067	0.984136	0.080*	0.8902
C362	0.6241 (17)	0.4739 (17)	0.3076 (9)	0.059 (7)
C302	0.5005 (19)	1.1788 (16)	1.0045 (9)	0.057 (6)
H302	0.502805	1.220168	0.990519	0.069*
C314	−0.017 (2)	0.8776 (17)	0.9701 (11)	0.067 (8)
H314	−0.031212	0.857574	0.996119	0.080*
C344	−0.137 (2)	0.1237 (17)	0.4188 (11)	0.069 (8)
C345	−0.119 (2)	−0.044 (2)	0.4516 (13)	0.085 (13)
C337	−0.428 (2)	0.072 (2)	0.5460 (10)	0.079 (10)
H337	−0.457875	0.039020	0.564918	0.095*
C354	0.004 (3)	0.220 (3)	0.3340 (16)	0.111 (15)
H354	0.050246	0.210897	0.316159	0.133*
C352	−0.094 (2)	0.1766 (17)	0.3875 (13)	0.081 (10)
C326	−0.2147 (17)	0.3979 (18)	0.7342 (9)	0.065 (8)
C341	−0.415 (3)	0.175 (2)	0.5147 (12)	0.080 (9)
H341	−0.440106	0.213084	0.509649	0.097*
C350	−0.071 (2)	0.294 (2)	0.3644 (14)	0.088 (11)
H350	−0.080654	0.341300	0.367737	0.106*
C333	−0.3794 (18)	0.3540 (18)	0.6939 (10)	0.075 (8)
H333	−0.393143	0.390013	0.715325	0.091*
C356	0.2979 (19)	0.331 (2)	0.2581 (11)	0.079 (10)
H356	0.314844	0.296298	0.237463	0.095*
C347	−0.104 (3)	−0.145 (2)	0.4890 (13)	0.093 (12)
H347	−0.109062	−0.166290	0.514796	0.112*
C353	−0.038 (3)	0.163 (3)	0.3592 (15)	0.106 (15)
H353	−0.024743	0.117081	0.355407	0.128*
C351	−0.114 (2)	0.2457 (18)	0.3907 (12)	0.075 (9)
H351	−0.156404	0.257055	0.410267	0.090*
C372	0.868 (2)	0.603 (2)	0.3683 (13)	0.099 (14)
H372	0.932525	0.609191	0.366065	0.119*
C6B	0.2212 (18)	0.5676 (13)	0.9104 (9)	0.058 (8)	0.7649
H6B	0.179992	0.592900	0.902476	0.070*	0.7649
C368	0.755 (2)	0.6384 (19)	0.4046 (11)	0.078 (10)
H368	0.739259	0.670904	0.427666	0.093*
C323	−0.2678 (18)	0.6256 (16)	0.8539 (10)	0.069 (9)
H323	−0.327886	0.631666	0.853597	0.083*
C355	0.205 (2)	0.323 (2)	0.2597 (14)	0.086 (11)
H355	0.158494	0.283269	0.238294	0.103*
C330	0.117 (2)	0.342 (2)	0.7412 (14)	0.106 (16)
H330	0.122668	0.302614	0.719140	0.127*
C365	0.570 (2)	0.211 (2)	0.1571 (12)	0.081 (10)
H365	0.522854	0.164585	0.140806	0.097*
C342	−0.2354 (19)	0.0932 (16)	0.4700 (8)	0.057 (7)
C357	0.368 (2)	0.3922 (19)	0.2871 (11)	0.069 (8)
C317	0.033 (2)	0.9340 (19)	0.8944 (12)	0.082 (10)
H317	0.050357	0.948635	0.867270	0.098*
C329	0.184 (2)	0.4406 (17)	0.7988 (10)	0.067 (8)
H329	0.238904	0.475563	0.818004	0.081*
C5B	0.3196 (19)	0.6038 (13)	0.9134 (10)	0.065 (9)	0.7649
H5B	0.345044	0.654393	0.908030	0.078*	0.7649
C364	0.542 (2)	0.262 (2)	0.1901 (11)	0.088 (12)
H364	0.477170	0.251661	0.193753	0.105*
C331	0.033 (2)	0.352 (2)	0.7398 (12)	0.084 (11)
H331	−0.018980	0.318212	0.718539	0.101*
C328	0.102 (2)	0.4521 (18)	0.8008 (10)	0.074 (9)
H328	0.097563	0.489627	0.824431	0.089*
C371	0.796 (2)	0.546 (2)	0.3369 (12)	0.085 (11)
H371	0.812840	0.515112	0.313292	0.102*
O1A	−0.3710 (18)	0.0849 (15)	0.9275 (15)	0.125 (12)	0.8902
C14B	0.488 (2)	0.604 (3)	0.9251 (16)	0.094 (16)	0.7649
H14D	0.502246	0.626220	0.898650	0.140*	0.7649
H14E	0.517033	0.565205	0.925551	0.140*	0.7649
H14F	0.514280	0.644962	0.951785	0.140*	0.7649
C8A	−0.2077 (15)	0.1447 (12)	0.9261 (11)	0.075 (8)	0.8902
C4B	0.3811 (16)	0.5676 (17)	0.9240 (12)	0.086 (11)	0.7649
C14A	−0.412 (3)	0.414 (2)	0.9440 (17)	0.099 (14)	0.8902
H14A	−0.426726	0.421976	0.914160	0.149*	0.8902
H14B	−0.359379	0.460077	0.960512	0.149*	0.8902
H14C	−0.468071	0.405997	0.959607	0.149*	0.8902
C12B	−0.155 (3)	0.485 (2)	0.9228 (15)	0.083 (11)	0.7649
H12B	−0.219771	0.459213	0.910399	0.099*	0.7649
C9A	−0.1294 (17)	0.2084 (15)	0.9234 (11)	0.083 (9)	0.8902
H9A	−0.135744	0.256984	0.925358	0.099*	0.8902
C11A	−0.029 (3)	0.1316 (16)	0.9145 (13)	0.098 (11)	0.8902
H11A	0.030936	0.127385	0.911043	0.118*	0.8902
O1B	0.049 (3)	0.3810 (17)	0.9042 (17)	0.119 (14)	0.7649
C13A	−0.1970 (19)	0.0736 (14)	0.9221 (11)	0.077 (9)	0.8902
H13A	−0.249932	0.029050	0.923438	0.092*	0.8902
C12A	−0.1087 (19)	0.0682 (18)	0.9163 (11)	0.086 (10)	0.8902
H12A	−0.102356	0.019498	0.913558	0.103*	0.8902
C7A	−0.3063 (16)	0.1455 (13)	0.9287 (14)	0.077 (9)	0.8902
C346	−0.122 (2)	−0.074 (2)	0.4885 (13)	0.084 (11)
H346	−0.135815	−0.048443	0.514997	0.101*
C2A	−0.397 (2)	0.2193 (18)	0.9035 (11)	0.089 (10)	0.8902
H2A	−0.426996	0.175596	0.880297	0.107*	0.8902
C9B	0.036 (2)	0.5577 (17)	0.9611 (13)	0.080 (10)	0.7649
H9B	0.100679	0.583523	0.973709	0.096*	0.7649
C359	0.239 (2)	0.424 (3)	0.320 (2)	0.119 (18)
H359	0.220100	0.455572	0.342619	0.143*
C349	−0.098 (4)	−0.086 (3)	0.4134 (15)	0.117 (16)
H349	−0.099092	−0.071628	0.385329	0.140*
C8B	0.009 (2)	0.4880 (16)	0.9306 (11)	0.079 (9)	0.7649
C4A	−0.382 (2)	0.3458 (15)	0.9403 (11)	0.077 (9)	0.8902
C335	−0.274 (2)	0.288 (2)	0.6648 (12)	0.096 (11)
H335	−0.215090	0.281011	0.666948	0.116*
C13B	−0.085 (2)	0.455 (2)	0.9102 (13)	0.075 (10)	0.7649
H13B	−0.102479	0.410186	0.887164	0.090*	0.7649
C3A	−0.428 (2)	0.2811 (17)	0.9069 (11)	0.083 (9)	0.8902
H3A	−0.478625	0.279217	0.886591	0.099*	0.8902
C11B	−0.126 (3)	0.554 (2)	0.9540 (14)	0.099 (13)	0.7649
H11B	−0.171610	0.577078	0.962216	0.119*	0.7649
C2B	0.245 (2)	0.4572 (14)	0.9294 (11)	0.083 (10)	0.7649
H2B	0.219840	0.406482	0.934586	0.100*	0.7649
C5A	−0.3055 (19)	0.3484 (14)	0.9688 (10)	0.068 (8)	0.8902
H5A	−0.273480	0.393185	0.991108	0.082*	0.8902
C1A	−0.3233 (18)	0.2197 (13)	0.9334 (10)	0.069 (7)	0.8902
C3B	0.3433 (19)	0.4937 (17)	0.9322 (11)	0.088 (11)	0.7649
H3B	0.384646	0.468218	0.939695	0.106*	0.7649
C10B	−0.032 (3)	0.589 (2)	0.9730 (14)	0.094 (12)	0.7649
H10B	−0.013272	0.635781	0.994628	0.113*	0.7649
C348	−0.076 (4)	−0.149 (3)	0.4198 (19)	0.126 (19)
H348	−0.054061	−0.172492	0.395071	0.151*
C358	0.339 (2)	0.436 (3)	0.3173 (17)	0.117 (18)
H358	0.386068	0.476174	0.338143	0.141*
C1B	0.1835 (15)	0.4940 (13)	0.9190 (10)	0.066 (8)	0.7649
C7B	0.0794 (18)	0.4514 (18)	0.9167 (15)	0.077 (9)	0.7649
C10A	−0.042 (2)	0.2013 (19)	0.9178 (11)	0.088 (10)	0.8902
H10A	0.011043	0.245668	0.916119	0.106*	0.8902
I404	0.260 (10)	1.211 (7)	0.6978 (16)	0.0773 (7)	0.016 (4)
I301	0.83915 (11)	1.22541 (11)	1.07069 (6)	0.0532 (5)	0.912 (3)
I311	0.9233 (17)	0.6857 (10)	0.5207 (4)	0.187 (6)	0.59 (3)
Zn36	0.9548 (9)	0.7267 (10)	0.4479 (5)	0.135 (9)	0.59 (3)
I312	1.1100 (6)	0.7554 (10)	0.4136 (9)	0.190 (8)	0.59 (3)
I309	0.0172 (10)	0.4766 (7)	0.3254 (7)	0.186 (5)	0.76 (3)
Zn35	0.0326 (5)	0.3501 (8)	0.2909 (4)	0.124 (5)	0.76 (3)
I310	−0.0515 (4)	0.2713 (14)	0.2148 (3)	0.188 (5)	0.76 (3)
I406	−0.3292 (8)	0.8106 (8)	0.8937 (4)	0.150 (7)	0.4103
Zn43	−0.2103 (7)	0.7634 (6)	0.9284 (4)	0.104 (7)	0.4103
I405	−0.2282 (7)	0.7204 (6)	1.0022 (3)	0.120 (6)	0.4103
I407	−0.6207 (7)	0.0591 (7)	0.6244 (3)	0.121 (8)	0.386
Zn44	−0.5417 (8)	0.1647 (8)	0.5836 (4)	0.109 (13)	0.386
I408	−0.6246 (11)	0.2335 (10)	0.5417 (6)	0.174 (9)	0.386
I304	0.29576 (16)	1.26263 (16)	0.69614 (7)	0.0773 (7)	0.984 (4)
Zn32	0.3127 (3)	1.3529 (2)	0.77089 (13)	0.0607 (10)	0.984 (4)
I303	0.46227 (13)	1.46947 (14)	0.80105 (8)	0.0781 (7)	0.984 (4)
I402	0.700 (4)	1.075 (3)	1.1224 (18)	0.080*	0.047 (2)
Zn41	0.727 (8)	1.191 (6)	1.084 (4)	0.080*	0.047 (2)
I401	0.872 (4)	1.262 (3)	1.0510 (18)	0.080*	0.047 (2)
I11	0.817 (4)	1.186 (4)	1.087 (2)	0.080*	0.041 (2)
I12	0.642 (4)	0.999 (4)	1.151 (2)	0.080*	0.041 (2)
Zn51	0.663 (6)	1.113 (5)	1.114 (4)	0.080*	0.041 (2)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I302	0.0784 (14)	0.0528 (11)	0.0614 (11)	0.0255 (10)	0.0111 (10)	0.0065 (9)
I305	0.069 (4)	0.035 (2)	0.100 (5)	0.002 (2)	0.039 (3)	0.015 (3)
I403	0.0412 (10)	0.0861 (15)	0.0975 (15)	0.0102 (9)	−0.0006 (9)	0.0237 (12)
I307	0.069 (4)	0.069 (3)	0.056 (3)	−0.002 (3)	0.018 (3)	0.010 (3)
I306	0.049 (3)	0.049 (2)	0.103 (4)	0.0098 (18)	0.015 (3)	0.012 (3)
I308	0.050 (3)	0.063 (2)	0.082 (3)	0.0130 (19)	0.003 (2)	0.003 (2)
I412	0.032 (3)	0.082 (4)	0.076 (5)	0.008 (3)	0.002 (2)	−0.019 (4)
Zn31	0.0370 (17)	0.0437 (18)	0.0462 (18)	0.0088 (14)	−0.0001 (14)	−0.0041 (15)
I410	0.055 (7)	0.089 (11)	0.121 (11)	0.036 (5)	0.029 (7)	0.032 (6)
Zn33	0.040 (6)	0.032 (4)	0.096 (7)	−0.003 (4)	0.023 (5)	0.011 (5)
I411	0.059 (5)	0.159 (8)	0.078 (5)	0.028 (4)	0.002 (4)	0.035 (6)
Zn42	0.0408 (18)	0.069 (2)	0.069 (2)	0.0214 (17)	0.0056 (16)	0.0037 (19)
Zn34	0.049 (7)	0.056 (6)	0.043 (6)	−0.005 (4)	0.011 (5)	−0.003 (5)
I409	0.17 (2)	0.106 (10)	0.29 (3)	0.110 (12)	0.19 (2)	0.156 (14)
Zn46	0.038 (7)	0.065 (9)	0.081 (9)	0.009 (6)	0.009 (7)	0.000 (8)
Zn45	0.068 (18)	0.051 (11)	0.112 (14)	0.022 (9)	0.056 (12)	0.056 (9)
N304	0.041 (11)	0.039 (11)	0.082 (15)	0.010 (9)	−0.004 (10)	0.003 (11)
N301	0.050 (11)	0.030 (9)	0.059 (12)	0.007 (8)	0.022 (9)	0.013 (8)
N305	0.036 (10)	0.058 (12)	0.052 (11)	0.013 (9)	−0.002 (9)	−0.015 (10)
N306	0.045 (12)	0.045 (12)	0.085 (17)	0.003 (10)	−0.001 (12)	−0.022 (12)
N303	0.041 (10)	0.024 (9)	0.069 (13)	0.003 (7)	−0.004 (9)	−0.001 (9)
C325	0.018 (10)	0.062 (15)	0.091 (19)	0.023 (10)	−0.009 (11)	−0.037 (14)
N318	0.039 (12)	0.077 (18)	0.10 (2)	0.016 (12)	0.004 (13)	−0.022 (16)
N302	0.038 (11)	0.035 (10)	0.075 (14)	0.004 (8)	−0.007 (10)	−0.016 (10)
N309	0.042 (11)	0.054 (12)	0.057 (12)	0.017 (9)	−0.007 (9)	−0.030 (10)
N316	0.057 (14)	0.062 (15)	0.086 (18)	0.006 (12)	0.027 (13)	−0.025 (14)
N323	0.043 (11)	0.061 (13)	0.056 (12)	0.024 (10)	−0.006 (9)	−0.017 (10)
C308	0.033 (12)	0.042 (13)	0.070 (16)	0.002 (10)	0.006 (11)	−0.010 (12)
N310	0.045 (12)	0.073 (15)	0.071 (14)	0.024 (11)	−0.010 (10)	−0.045 (13)
C305	0.050 (13)	0.031 (11)	0.056 (13)	0.012 (10)	0.019 (11)	0.001 (10)
N320	0.075 (17)	0.055 (13)	0.085 (17)	0.035 (12)	0.023 (14)	−0.009 (12)
N313	0.049 (13)	0.077 (16)	0.062 (14)	0.025 (12)	−0.001 (11)	−0.023 (13)
N311	0.050 (12)	0.059 (13)	0.071 (14)	0.018 (10)	0.008 (11)	0.004 (11)
N308	0.038 (11)	0.065 (14)	0.060 (13)	0.008 (10)	0.005 (9)	−0.012 (11)
N322	0.025 (9)	0.060 (13)	0.090 (16)	0.015 (9)	0.000 (10)	−0.028 (12)
C306	0.036 (12)	0.043 (13)	0.077 (17)	0.016 (10)	0.000 (11)	−0.017 (13)
C339	0.050 (14)	0.055 (15)	0.056 (14)	0.017 (12)	0.013 (12)	−0.008 (12)
N321	0.035 (10)	0.071 (14)	0.076 (15)	0.016 (10)	−0.002 (10)	−0.042 (12)
C327	0.043 (13)	0.032 (11)	0.068 (15)	0.015 (9)	−0.006 (11)	−0.007 (10)
C363	0.048 (13)	0.036 (11)	0.055 (13)	0.011 (10)	0.014 (11)	−0.005 (10)
C301	0.025 (11)	0.057 (15)	0.062 (15)	−0.012 (10)	0.005 (10)	0.013 (12)
C360	0.031 (11)	0.068 (16)	0.060 (14)	0.031 (11)	0.007 (10)	−0.004 (12)
C307	0.042 (14)	0.063 (16)	0.070 (17)	0.015 (12)	0.004 (12)	−0.006 (14)
C332	0.031 (11)	0.087 (17)	0.074 (15)	0.018 (11)	−0.025 (11)	−0.055 (14)
C309	0.056 (15)	0.062 (16)	0.059 (15)	0.017 (13)	0.018 (12)	−0.001 (13)
N314	0.064 (14)	0.060 (14)	0.058 (13)	0.009 (11)	0.015 (11)	−0.025 (11)
C313	0.08 (2)	0.055 (17)	0.069 (19)	−0.021 (15)	0.013 (16)	−0.009 (15)
N312	0.048 (12)	0.097 (16)	0.070 (14)	0.023 (12)	−0.017 (10)	−0.041 (13)
C316	0.042 (13)	0.047 (13)	0.059 (15)	0.008 (11)	−0.007 (11)	−0.013 (12)
C324	0.052 (15)	0.037 (12)	0.056 (14)	−0.002 (10)	0.013 (11)	−0.014 (11)
C318	0.026 (12)	0.08 (2)	0.10 (2)	0.008 (12)	0.005 (14)	−0.025 (19)
N307	0.046 (12)	0.053 (13)	0.075 (15)	0.004 (10)	−0.001 (11)	−0.009 (11)
N315	0.072 (16)	0.062 (15)	0.061 (14)	0.013 (12)	0.010 (12)	−0.014 (12)
C320	0.021 (10)	0.070 (17)	0.073 (17)	0.002 (10)	−0.003 (10)	−0.044 (14)
C322	0.024 (11)	0.066 (16)	0.074 (17)	0.012 (10)	0.001 (11)	−0.030 (14)
C312	0.07 (2)	0.07 (2)	0.08 (2)	0.000 (16)	0.009 (16)	0.003 (17)
C304	0.048 (13)	0.036 (12)	0.050 (13)	0.002 (10)	0.006 (10)	−0.009 (10)
N317	0.069 (18)	0.09 (2)	0.08 (2)	−0.001 (15)	0.020 (16)	−0.014 (17)
C303	0.036 (12)	0.039 (12)	0.053 (13)	0.003 (9)	0.003 (10)	−0.004 (10)
C366	0.026 (11)	0.083 (19)	0.079 (18)	0.030 (12)	−0.006 (11)	−0.027 (15)
C334	0.035 (11)	0.080 (16)	0.062 (14)	0.017 (11)	−0.015 (10)	−0.038 (13)
C336	0.056 (14)	0.104 (19)	0.105 (19)	0.037 (14)	−0.010 (14)	−0.081 (16)
N319	0.056 (16)	0.10 (2)	0.12 (2)	0.048 (16)	0.022 (16)	0.033 (19)
C311	0.08 (2)	0.055 (17)	0.070 (19)	0.002 (15)	−0.028 (16)	−0.006 (15)
C343	0.053 (15)	0.053 (15)	0.079 (19)	0.015 (13)	0.015 (14)	−0.022 (15)
N324	0.066 (15)	0.077 (16)	0.069 (15)	0.039 (13)	0.003 (12)	−0.026 (13)
C315	0.036 (13)	0.068 (17)	0.074 (18)	0.017 (12)	−0.008 (12)	−0.025 (15)
C369	0.056 (18)	0.09 (2)	0.15 (3)	0.043 (17)	0.01 (2)	−0.07 (2)
C340	0.08 (2)	0.10 (3)	0.10 (3)	0.02 (2)	0.02 (2)	0.05 (2)
C319	0.032 (12)	0.057 (15)	0.083 (19)	0.016 (11)	−0.012 (12)	−0.019 (14)
C321	0.038 (13)	0.068 (17)	0.066 (17)	−0.005 (12)	0.007 (12)	−0.019 (14)
C367	0.040 (13)	0.057 (15)	0.079 (19)	0.006 (11)	−0.004 (12)	−0.033 (14)
C338	0.064 (18)	0.053 (16)	0.09 (2)	0.012 (13)	0.029 (16)	−0.021 (15)
C370	0.057 (15)	0.045 (13)	0.062 (15)	0.025 (12)	−0.003 (12)	−0.012 (12)
C361	0.046 (13)	0.064 (16)	0.043 (12)	0.024 (12)	0.002 (10)	−0.002 (11)
C310	0.09 (2)	0.055 (17)	0.068 (18)	0.002 (15)	−0.024 (16)	0.016 (15)
C6A	0.046 (14)	0.054 (15)	0.10 (2)	0.017 (12)	0.003 (14)	0.036 (15)
C362	0.034 (12)	0.072 (17)	0.055 (14)	0.015 (12)	−0.017 (11)	−0.011 (13)
C302	0.051 (15)	0.050 (14)	0.057 (15)	0.004 (11)	0.001 (12)	0.006 (12)
C314	0.053 (16)	0.064 (17)	0.073 (18)	0.016 (13)	0.013 (14)	−0.004 (15)
C344	0.055 (16)	0.051 (16)	0.08 (2)	0.009 (13)	0.013 (15)	−0.008 (15)
C345	0.048 (15)	0.08 (2)	0.09 (2)	0.014 (14)	0.016 (16)	−0.06 (2)
C337	0.062 (18)	0.11 (3)	0.053 (16)	0.034 (18)	−0.001 (13)	−0.028 (17)
C354	0.07 (3)	0.14 (4)	0.11 (3)	0.03 (3)	0.05 (2)	0.03 (3)
C352	0.061 (18)	0.044 (15)	0.11 (3)	−0.004 (13)	0.030 (18)	−0.006 (16)
C326	0.033 (12)	0.084 (19)	0.053 (14)	0.011 (12)	−0.010 (11)	−0.026 (14)
C341	0.08 (2)	0.10 (3)	0.07 (2)	0.04 (2)	0.012 (17)	0.006 (19)
C350	0.06 (2)	0.062 (19)	0.11 (3)	0.003 (16)	0.004 (19)	−0.011 (19)
C333	0.037 (12)	0.082 (16)	0.074 (16)	0.013 (12)	−0.022 (11)	−0.045 (14)
C356	0.034 (13)	0.11 (3)	0.075 (19)	0.013 (15)	0.001 (13)	0.003 (18)
C347	0.07 (2)	0.10 (3)	0.08 (2)	0.014 (19)	0.016 (17)	−0.03 (2)
C353	0.06 (2)	0.12 (3)	0.12 (3)	0.00 (2)	0.04 (2)	0.06 (3)
C351	0.065 (19)	0.059 (18)	0.10 (2)	0.017 (15)	0.026 (17)	0.011 (17)
C372	0.048 (16)	0.11 (3)	0.11 (3)	0.034 (18)	−0.005 (17)	−0.06 (2)
C6B	0.08 (2)	0.029 (13)	0.062 (17)	0.021 (13)	0.024 (15)	0.005 (12)
C368	0.059 (17)	0.09 (2)	0.09 (2)	0.057 (17)	−0.009 (15)	−0.026 (18)
C323	0.035 (12)	0.054 (15)	0.080 (19)	−0.006 (11)	0.001 (12)	−0.035 (14)
C355	0.044 (16)	0.08 (2)	0.12 (3)	0.014 (15)	0.022 (17)	0.00 (2)
C330	0.047 (16)	0.09 (2)	0.13 (3)	0.027 (16)	−0.012 (18)	−0.08 (2)
C365	0.044 (15)	0.09 (2)	0.09 (2)	0.019 (14)	0.012 (14)	−0.032 (18)
C342	0.055 (15)	0.057 (16)	0.041 (12)	0.006 (12)	0.009 (11)	−0.010 (12)
C357	0.051 (16)	0.08 (2)	0.08 (2)	0.024 (14)	0.021 (14)	0.025 (17)
C317	0.057 (17)	0.072 (19)	0.08 (2)	0.014 (15)	−0.018 (15)	−0.041 (17)
C329	0.046 (15)	0.063 (17)	0.071 (18)	0.009 (13)	−0.010 (13)	−0.015 (14)
C5B	0.08 (2)	0.040 (15)	0.065 (18)	0.008 (14)	0.029 (16)	0.018 (14)
C364	0.040 (14)	0.10 (2)	0.08 (2)	0.000 (15)	0.001 (13)	−0.053 (19)
C331	0.052 (16)	0.09 (2)	0.09 (2)	0.038 (16)	−0.026 (15)	−0.042 (19)
C328	0.061 (17)	0.075 (19)	0.071 (18)	0.032 (15)	−0.013 (14)	−0.033 (16)
C371	0.058 (18)	0.09 (2)	0.08 (2)	0.034 (17)	−0.001 (16)	−0.036 (19)
O1A	0.071 (18)	0.10 (2)	0.20 (4)	0.002 (16)	0.02 (2)	0.07 (2)
C14B	0.07 (3)	0.08 (3)	0.08 (3)	−0.02 (2)	0.00 (2)	−0.02 (2)
C8A	0.065 (16)	0.056 (15)	0.096 (19)	0.007 (13)	0.013 (15)	0.020 (14)
C4B	0.08 (2)	0.068 (19)	0.09 (2)	0.003 (17)	0.018 (19)	−0.003 (18)
C14A	0.08 (2)	0.10 (3)	0.13 (3)	0.05 (2)	0.02 (2)	−0.01 (3)
C12B	0.09 (2)	0.057 (18)	0.11 (2)	0.032 (17)	0.06 (2)	0.025 (18)
C9A	0.067 (18)	0.065 (17)	0.11 (2)	0.012 (15)	0.028 (17)	0.018 (17)
C11A	0.069 (19)	0.08 (2)	0.13 (3)	0.021 (17)	0.01 (2)	0.00 (2)
O1B	0.11 (3)	0.042 (15)	0.20 (4)	0.009 (15)	0.07 (3)	0.02 (2)
C13A	0.076 (19)	0.049 (15)	0.09 (2)	0.014 (14)	0.008 (17)	0.004 (15)
C12A	0.08 (2)	0.065 (17)	0.10 (2)	0.030 (15)	0.009 (18)	−0.014 (17)
C7A	0.054 (16)	0.066 (17)	0.10 (2)	0.005 (14)	0.012 (15)	0.012 (16)
C346	0.064 (19)	0.09 (2)	0.08 (2)	0.031 (17)	0.008 (17)	−0.04 (2)
C2A	0.070 (18)	0.09 (2)	0.10 (2)	0.036 (16)	0.017 (17)	−0.006 (19)
C9B	0.11 (2)	0.055 (17)	0.11 (2)	0.056 (17)	0.07 (2)	0.039 (16)
C359	0.037 (17)	0.10 (3)	0.21 (5)	0.024 (18)	0.03 (2)	0.00 (3)
C349	0.14 (4)	0.11 (3)	0.11 (3)	0.07 (3)	0.05 (3)	−0.03 (2)
C8B	0.12 (2)	0.052 (16)	0.089 (19)	0.033 (16)	0.063 (18)	0.043 (15)
C4A	0.075 (18)	0.064 (17)	0.09 (2)	0.024 (15)	0.003 (16)	0.016 (15)
C335	0.044 (13)	0.11 (2)	0.098 (19)	0.030 (14)	−0.015 (13)	−0.060 (17)
C13B	0.09 (2)	0.047 (16)	0.10 (2)	0.032 (16)	0.062 (19)	0.026 (16)
C3A	0.08 (2)	0.09 (2)	0.080 (19)	0.034 (17)	0.015 (16)	0.012 (17)
C11B	0.12 (3)	0.07 (2)	0.11 (3)	0.04 (2)	0.08 (2)	0.03 (2)
C2B	0.08 (2)	0.07 (2)	0.10 (2)	0.041 (17)	0.036 (19)	0.009 (19)
C5A	0.046 (14)	0.057 (16)	0.086 (19)	−0.002 (12)	−0.005 (14)	0.019 (15)
C1A	0.051 (14)	0.070 (16)	0.086 (18)	0.019 (13)	0.015 (13)	0.020 (14)
C3B	0.07 (2)	0.08 (2)	0.11 (2)	0.034 (18)	0.02 (2)	0.00 (2)
C10B	0.13 (3)	0.07 (2)	0.11 (2)	0.05 (2)	0.08 (2)	0.039 (19)
C348	0.15 (4)	0.09 (3)	0.13 (4)	0.06 (3)	0.06 (4)	−0.03 (3)
C358	0.048 (18)	0.12 (3)	0.15 (4)	0.03 (2)	0.02 (2)	−0.05 (3)
C1B	0.089 (18)	0.053 (15)	0.073 (17)	0.039 (14)	0.051 (15)	0.015 (13)
C7B	0.10 (2)	0.052 (16)	0.09 (2)	0.043 (16)	0.051 (18)	0.013 (16)
C10A	0.065 (18)	0.066 (18)	0.13 (2)	0.022 (15)	0.006 (18)	0.002 (19)
I404	0.0669 (13)	0.0982 (18)	0.0702 (12)	0.0423 (12)	0.0136 (9)	−0.0015 (11)
I301	0.0319 (8)	0.0556 (11)	0.0610 (11)	0.0095 (7)	0.0029 (7)	−0.0025 (9)
I311	0.207 (13)	0.207 (10)	0.135 (7)	0.140 (10)	−0.099 (7)	−0.091 (7)
Zn36	0.069 (8)	0.152 (15)	0.146 (12)	0.074 (8)	−0.060 (7)	−0.116 (11)
I312	0.072 (4)	0.173 (10)	0.261 (15)	0.063 (5)	−0.031 (6)	−0.139 (10)
I309	0.138 (6)	0.221 (8)	0.307 (13)	0.135 (6)	0.145 (8)	0.151 (8)
Zn35	0.044 (5)	0.187 (11)	0.162 (10)	0.055 (6)	0.028 (5)	0.054 (8)
I310	0.046 (2)	0.368 (14)	0.143 (5)	0.035 (5)	−0.003 (3)	0.123 (7)
I406	0.076 (6)	0.191 (11)	0.165 (10)	0.100 (7)	−0.037 (6)	−0.101 (8)
Zn43	0.046 (9)	0.109 (11)	0.115 (9)	0.044 (8)	−0.035 (7)	−0.103 (7)
I405	0.073 (6)	0.155 (10)	0.111 (7)	0.070 (6)	−0.022 (5)	−0.082 (6)
I407	0.065 (7)	0.166 (12)	0.091 (8)	0.051 (7)	−0.040 (5)	−0.083 (7)
Zn44	0.048 (11)	0.16 (2)	0.097 (16)	0.074 (12)	−0.040 (8)	−0.093 (12)
I408	0.109 (10)	0.229 (16)	0.188 (15)	0.133 (11)	−0.031 (9)	−0.077 (12)
I304	0.0669 (13)	0.0982 (18)	0.0702 (12)	0.0423 (12)	0.0136 (9)	−0.0015 (11)
Zn32	0.0408 (18)	0.069 (2)	0.069 (2)	0.0214 (17)	0.0056 (16)	0.0037 (19)
I303	0.0412 (10)	0.0861 (15)	0.0975 (15)	0.0102 (9)	−0.0006 (9)	0.0237 (12)

Geometric parameters (Å, º)

I302—Zn31	2.548 (5)	N324—C368	1.34 (4)
I305—Zn33	2.543 (8)	N324—Zn36	2.06 (3)
I403—Zn42	2.54 (2)	C315—H315	0.9500
I307—Zn34	2.537 (6)	C315—C314	1.38 (4)
I306—Zn33	2.525 (8)	C369—H369	0.9500
I308—Zn34	2.540 (8)	C369—C370	1.40 (4)
I412—Zn46	2.554 (14)	C369—C368	1.35 (5)
Zn31—N301	2.06 (2)	C340—H340	0.9500
Zn31—N323^i	2.07 (2)	C340—C341	1.38 (5)
Zn31—I301	2.542 (4)	C319—H319	0.9500
I410—Zn45	2.551 (17)	C367—H367	0.9500
Zn33—N306	2.05 (2)	C338—H338	0.9500
Zn33—N307	2.07 (2)	C338—C337	1.41 (4)
I411—Zn46	2.531 (13)	C370—C362	1.50 (3)
Zn42—N305	2.06 (3)	C370—C371	1.38 (4)
Zn42—N311^ii	1.96 (9)	C310—H310	0.9500
Zn42—C330^ii	2.59 (9)	C6A—H6A	0.9500
Zn42—I404	2.56 (2)	C6A—C5A	1.383 (18)
Zn34—N313	2.07 (2)	C6A—C1A	1.396 (18)
Zn34—N312	2.08 (2)	C302—H302	0.9500
I409—Zn45	2.548 (15)	C314—H314	0.9500
Zn46—N317^iii	2.07 (4)	C344—C352	1.52 (5)
Zn46—N324	2.07 (3)	C345—C346	1.36 (6)
Zn45—N318	2.01 (4)	C345—C349	1.42 (4)
Zn45—N319	2.06 (3)	C337—H337	0.9500
N304—C308	1.35 (4)	C354—H354	0.9500
N304—C307	1.30 (3)	C354—C353	1.42 (6)
N301—C305	1.35 (3)	C352—C353	1.31 (5)
N301—C301	1.32 (3)	C352—C351	1.43 (5)
N301—Zn41	2.22 (12)	C341—H341	0.9500
N301—Zn51	2.31 (10)	C350—H350	0.9500
N305—C312	1.35 (4)	C350—C351	1.35 (5)
N305—C311	1.33 (4)	C333—H333	0.9500
N305—Zn32	2.06 (2)	C356—H356	0.9500
N306—C318	1.37 (5)	C356—C355	1.36 (4)
N306—C314	1.34 (4)	C356—C357	1.39 (5)
N306—Zn43	2.05 (2)	C347—H347	0.9500
N303—C306	1.33 (4)	C347—C346	1.45 (6)
N303—C307	1.36 (3)	C353—H353	0.9500
C325—N309	1.44 (3)	C351—H351	0.9500
C325—N310	1.27 (3)	C372—H372	0.9500
C325—C327	1.45 (3)	C372—C371	1.41 (4)
N318—C354	1.25 (6)	C6B—H6B	0.9500
N318—C350	1.41 (5)	C6B—C5B	1.392 (18)
N318—Zn35	1.99 (4)	C6B—C1B	1.391 (18)
N302—C308	1.32 (4)	C368—H368	0.9500
N302—C306	1.37 (3)	C323—H323	0.9500
N309—C324	1.31 (4)	C355—H355	0.9500
N316—C343	1.31 (4)	C330—H330	0.9500
N316—C344	1.30 (4)	C330—C331	1.33 (4)
N323—C366	1.33 (3)	C365—H365	0.9500
N323—C365	1.34 (3)	C365—C364	1.46 (4)
N323—Zn41^iv	2.42 (11)	C357—C358	1.33 (5)
N323—Zn51^iv	2.28 (11)	C317—H317	0.9500
C308—C316	1.47 (3)	C329—H329	0.9500
N310—C326	1.38 (4)	C329—C328	1.33 (4)
C305—H305	0.9500	C5B—H5B	0.9500
C305—C304	1.40 (4)	C5B—C4B	1.383 (18)
N320—C360	1.36 (4)	C364—H364	0.9500
N320—C362	1.28 (4)	C331—H331	0.9500
N313—C337	1.29 (5)	C328—H328	0.9500
N313—C341	1.35 (4)	C371—H371	0.9500
N313—Zn44	2.06 (2)	O1A—C7A	1.216 (19)
N311—C330	1.33 (4)	C14B—H14D	0.9800
N311—C329	1.31 (4)	C14B—H14E	0.9800
N311—Zn32^v	2.08 (2)	C14B—H14F	0.9800
N308—C324	1.35 (3)	C14B—C4B	1.515 (19)
N308—C326	1.29 (4)	C8A—C9A	1.386 (19)
N322—C361	1.33 (3)	C8A—C13A	1.396 (19)
N322—C362	1.34 (3)	C8A—C7A	1.497 (18)
C306—C303	1.50 (4)	C4B—C3B	1.393 (18)
C339—C340	1.45 (5)	C14A—H14A	0.9800
C339—C338	1.34 (4)	C14A—H14B	0.9800
C339—C342	1.49 (3)	C14A—H14C	0.9800
N321—C360	1.33 (3)	C14A—C4A	1.500 (19)
N321—C361	1.36 (3)	C12B—H12B	0.9500
C327—C331	1.37 (4)	C12B—C13B	1.403 (19)
C327—C328	1.39 (4)	C12B—C11B	1.40 (2)
C363—C367	1.37 (4)	C9A—H9A	0.9500
C363—C361	1.46 (3)	C9A—C10A	1.39 (2)
C363—C364	1.35 (3)	C11A—H11A	0.9500
C301—H301	0.9500	C11A—C12A	1.38 (2)
C301—C302	1.37 (4)	C11A—C10A	1.38 (2)
C360—C357	1.51 (3)	O1B—C7B	1.23 (4)
C307—C309	1.51 (4)	C13A—H13A	0.9500
C332—H332	0.9500	C13A—C12A	1.387 (19)
C332—N312	1.35 (4)	C12A—H12A	0.9500
C332—C333	1.44 (3)	C7A—C1A	1.498 (18)
C309—C313	1.41 (4)	C346—H346	0.9500
C309—C310	1.33 (4)	C2A—H2A	0.9500
N314—C344	1.34 (4)	C2A—C3A	1.386 (18)
N314—C342	1.32 (4)	C2A—C1A	1.396 (18)
C313—H313	0.9500	C9B—H9B	0.9500
C313—C312	1.33 (5)	C9B—C8B	1.396 (19)
N312—C336	1.36 (4)	C9B—C10B	1.386 (18)
N312—Zn44	2.09 (2)	C359—H359	0.9500
C316—C315	1.40 (4)	C359—C358	1.46 (4)
C316—C317	1.39 (4)	C349—H349	0.9500
C324—C321	1.52 (4)	C349—C348	1.38 (7)
C318—H318	0.9500	C8B—C13B	1.40 (2)
C318—C317	1.39 (4)	C8B—C7B	1.493 (19)
N307—C319	1.30 (3)	C4A—C3A	1.391 (18)
N307—C323	1.37 (3)	C4A—C5A	1.391 (18)
N307—Zn43	2.06 (3)	C335—H335	0.9500
N315—C343	1.32 (4)	C13B—H13B	0.9500
N315—C342	1.32 (4)	C3A—H3A	0.9500
C320—H320	0.9500	C11B—H11B	0.9500
C320—C319	1.39 (4)	C11B—C10B	1.39 (2)
C320—C321	1.38 (3)	C2B—H2B	0.9500
C322—H322	0.9500	C2B—C3B	1.390 (18)
C322—C321	1.36 (4)	C2B—C1B	1.393 (18)
C322—C323	1.37 (4)	C5A—H5A	0.9500
C312—H312	0.9500	C3B—H3B	0.9500
C304—H304	0.9500	C10B—H10B	0.9500
C304—C303	1.36 (4)	C348—H348	0.9500
N317—C347	1.33 (4)	C358—H358	0.9500
N317—C348	1.23 (6)	C1B—C7B	1.488 (19)
N317—Zn36^vi	2.02 (4)	C10A—H10A	0.9500
C303—C302	1.41 (3)	I311—Zn36	2.516 (16)
C366—H366	0.9500	Zn36—I312	2.549 (13)
C366—C367	1.40 (4)	I309—Zn35	2.539 (12)
C334—C326	1.52 (3)	Zn35—I310	2.544 (12)
C334—C333	1.37 (4)	I406—Zn43	2.521 (12)
C334—C335	1.46 (4)	Zn43—I405	2.546 (13)
C336—H336	0.9500	I407—Zn44	2.531 (14)
C336—C335	1.32 (4)	Zn44—I408	2.537 (13)
N319—C355	1.35 (5)	I304—Zn32	2.562 (4)
N319—C359	1.35 (6)	Zn32—I303	2.538 (4)
N319—Zn35	2.04 (3)	I402—Zn41	2.59 (13)
C311—H311	0.9500	Zn41—I401	2.51 (13)
C311—C310	1.35 (4)	I11—Zn51	2.54 (2)
C343—C345	1.47 (5)	I12—Zn51	2.54 (2)
N324—C372	1.34 (4)
N301—Zn31—I302	109.7 (5)	N306—C314—C315	121 (3)
N301—Zn31—N323^i	97.8 (8)	N306—C314—H314	119.6
N301—Zn31—I301	107.0 (5)	C315—C314—H314	119.6
N323^i—Zn31—I302	104.3 (7)	N316—C344—N314	124 (3)
N323^i—Zn31—I301	107.9 (7)	N316—C344—C352	119 (3)
I301—Zn31—I302	126.42 (16)	N314—C344—C352	117 (3)
I306—Zn33—I305	123.7 (3)	C346—C345—C343	122 (3)
N306—Zn33—I305	108.8 (9)	C346—C345—C349	115 (4)
N306—Zn33—I306	104.7 (8)	C349—C345—C343	122 (4)
N306—Zn33—N307	99.9 (9)	N313—C337—C338	123 (4)
N307—Zn33—I305	106.3 (8)	N313—C337—H337	118.7
N307—Zn33—I306	110.8 (8)	C338—C337—H337	118.7
I403—Zn42—C330^ii	106 (3)	N318—C354—H354	116.2
I403—Zn42—I404	123 (2)	N318—C354—C353	128 (4)
N305—Zn42—I403	107 (2)	C353—C354—H354	116.2
N305—Zn42—C330^ii	115 (3)	C353—C352—C344	123 (4)
N305—Zn42—I404	105 (2)	C353—C352—C351	119 (4)
N311^ii—Zn42—I403	84 (4)	C351—C352—C344	118 (3)
N311^ii—Zn42—N305	104 (3)	N310—C326—C334	115 (2)
N311^ii—Zn42—C330^ii	30.2 (15)	N308—C326—N310	127 (2)
N311^ii—Zn42—I404	130 (4)	N308—C326—C334	118 (2)
I404—Zn42—C330^ii	100 (4)	N313—C341—C340	123 (3)
I307—Zn34—I308	124.8 (3)	N313—C341—H341	118.5
N313—Zn34—I307	108.0 (9)	C340—C341—H341	118.5
N313—Zn34—I308	106.5 (9)	N318—C350—H350	117.1
N313—Zn34—N312	97.8 (10)	C351—C350—N318	126 (4)
N312—Zn34—I307	106.5 (10)	C351—C350—H350	117.1
N312—Zn34—I308	110.0 (10)	C332—C333—H333	121.1
I411—Zn46—I412	126.0 (7)	C334—C333—C332	118 (2)
N317^iii—Zn46—I412	105.4 (10)	C334—C333—H333	121.1
N317^iii—Zn46—I411	112.2 (12)	C355—C356—H356	120.4
N324—Zn46—I412	105.4 (9)	C355—C356—C357	119 (3)
N324—Zn46—I411	104.9 (10)	C357—C356—H356	120.4
N324—Zn46—N317^iii	99.6 (13)	N317—C347—H347	120.8
I409—Zn45—I410	122.6 (11)	N317—C347—C346	118 (4)
N318—Zn45—I410	104.4 (11)	C346—C347—H347	120.8
N318—Zn45—I409	105.2 (11)	C354—C353—H353	120.8
N318—Zn45—N319	104.8 (13)	C352—C353—C354	118 (5)
N319—Zn45—I410	110.1 (13)	C352—C353—H353	120.8
N319—Zn45—I409	108.2 (12)	C352—C351—H351	121.8
C307—N304—C308	113 (2)	C350—C351—C352	116 (3)
C305—N301—Zn31	121.9 (17)	C350—C351—H351	121.8
C305—N301—Zn41	148 (3)	N324—C372—H372	119.1
C305—N301—Zn51	100 (2)	N324—C372—C371	122 (3)
C301—N301—Zn31	118.5 (15)	C371—C372—H372	119.1
C301—N301—C305	119 (2)	C5B—C6B—H6B	120.2
C301—N301—Zn41	92 (3)	C1B—C6B—H6B	120.2
C301—N301—Zn51	140 (3)	C1B—C6B—C5B	119.7 (16)
C312—N305—Zn42	106 (3)	N324—C368—C369	121 (3)
C312—N305—Zn32	123 (2)	N324—C368—H368	119.4
C311—N305—Zn42	140 (3)	C369—C368—H368	119.4
C311—N305—C312	113 (3)	N307—C323—C322	121 (3)
C311—N305—Zn32	122 (2)	N307—C323—H323	119.4
C318—N306—Zn33	117.8 (19)	C322—C323—H323	119.4
C318—N306—Zn43	117.6 (19)	N319—C355—C356	125 (4)
C314—N306—Zn33	124 (2)	N319—C355—H355	117.7
C314—N306—C318	118 (3)	C356—C355—H355	117.7
C314—N306—Zn43	124 (2)	Zn42^v—C330—H330	70.5
C306—N303—C307	113 (2)	N311—C330—Zn42^v	48 (2)
N309—C325—C327	118 (2)	N311—C330—H330	117.5
N310—C325—N309	124 (2)	N311—C330—C331	125 (3)
N310—C325—C327	119 (2)	C331—C330—Zn42^v	169 (4)
C354—N318—Zn45	121 (3)	C331—C330—H330	117.5
C354—N318—C350	112 (4)	N323—C365—H365	119.7
C354—N318—Zn35	127 (3)	N323—C365—C364	121 (3)
C350—N318—Zn45	126 (3)	C364—C365—H365	119.7
C350—N318—Zn35	121 (3)	N314—C342—C339	119 (3)
C308—N302—C306	114 (2)	N314—C342—N315	124 (3)
C324—N309—C325	113.4 (19)	N315—C342—C339	117 (3)
C344—N316—C343	117 (3)	C356—C357—C360	121 (3)
Zn31^iv—N323—Zn41^iv	25 (3)	C358—C357—C360	122 (3)
Zn31^iv—N323—Zn51^iv	22.4 (17)	C358—C357—C356	117 (3)
C366—N323—Zn31^iv	124.5 (17)	C316—C317—H317	121.0
C366—N323—C365	119 (2)	C318—C317—C316	118 (4)
C366—N323—Zn41^iv	107 (3)	C318—C317—H317	121.0
C366—N323—Zn51^iv	136 (3)	N311—C329—H329	118.8
C365—N323—Zn31^iv	117.0 (18)	N311—C329—C328	122 (3)
C365—N323—Zn41^iv	130 (3)	C328—C329—H329	118.8
C365—N323—Zn51^iv	102 (3)	C6B—C5B—H5B	119.3
N304—C308—C316	116 (2)	C4B—C5B—C6B	121.3 (16)
N302—C308—N304	127 (2)	C4B—C5B—H5B	119.3
N302—C308—C316	117 (3)	C363—C364—C365	119 (3)
C325—N310—C326	116 (2)	C363—C364—H364	120.3
N301—C305—H305	120.3	C365—C364—H364	120.3
N301—C305—C304	119 (2)	C327—C331—H331	120.3
C304—C305—H305	120.3	C330—C331—C327	119 (3)
C362—N320—C360	113 (2)	C330—C331—H331	120.3
C337—N313—Zn34	123 (2)	C327—C328—H328	119.0
C337—N313—C341	119 (3)	C329—C328—C327	122 (3)
C337—N313—Zn44	124 (2)	C329—C328—H328	119.0
C341—N313—Zn34	117 (2)	C370—C371—C372	119 (3)
C341—N313—Zn44	116 (2)	C370—C371—H371	120.3
Zn42^v—N311—Zn32^v	18 (2)	C372—C371—H371	120.3
C330—N311—Zn42^v	102 (3)	H14D—C14B—H14E	109.5
C330—N311—Zn32^v	119 (2)	H14D—C14B—H14F	109.5
C329—N311—Zn42^v	142 (3)	H14E—C14B—H14F	109.5
C329—N311—C330	116 (3)	C4B—C14B—H14D	109.5
C329—N311—Zn32^v	125 (2)	C4B—C14B—H14E	109.5
C326—N308—C324	114 (2)	C4B—C14B—H14F	109.5
C361—N322—C362	113 (2)	C9A—C8A—C13A	118.8 (15)
N303—C306—N302	125 (2)	C9A—C8A—C7A	124.0 (18)
N303—C306—C303	118 (2)	C13A—C8A—C7A	117.0 (19)
N302—C306—C303	117 (3)	C5B—C4B—C14B	122 (3)
C340—C339—C342	118 (3)	C5B—C4B—C3B	119.0 (16)
C338—C339—C340	118 (3)	C3B—C4B—C14B	119 (3)
C338—C339—C342	124 (3)	H14A—C14A—H14B	109.5
C360—N321—C361	113 (2)	H14A—C14A—H14C	109.5
C331—C327—C325	119 (2)	H14B—C14A—H14C	109.5
C331—C327—C328	115 (2)	C4A—C14A—H14A	109.5
C328—C327—C325	126 (2)	C4A—C14A—H14B	109.5
C367—C363—C361	121 (2)	C4A—C14A—H14C	109.5
C364—C363—C367	118 (2)	C13B—C12B—H12B	120.9
C364—C363—C361	121 (2)	C11B—C12B—H12B	120.9
N301—C301—H301	117.7	C11B—C12B—C13B	118 (4)
N301—C301—C302	125 (2)	C8A—C9A—H9A	119.9
C302—C301—H301	117.7	C8A—C9A—C10A	120 (2)
N320—C360—C357	119 (2)	C10A—C9A—H9A	119.9
N321—C360—N320	126 (2)	C12A—C11A—H11A	121.4
N321—C360—C357	115 (2)	C12A—C11A—C10A	117 (3)
N304—C307—N303	128 (3)	C10A—C11A—H11A	121.4
N304—C307—C309	117 (3)	C8A—C13A—H13A	120.1
N303—C307—C309	115 (2)	C12A—C13A—C8A	119.7 (19)
N312—C332—H332	119.6	C12A—C13A—H13A	120.1
N312—C332—C333	121 (2)	C11A—C12A—C13A	122 (3)
C333—C332—H332	119.6	C11A—C12A—H12A	118.9
C313—C309—C307	119 (3)	C13A—C12A—H12A	118.9
C310—C309—C307	124 (3)	O1A—C7A—C8A	118 (2)
C310—C309—C313	117 (3)	O1A—C7A—C1A	122 (2)
C342—N314—C344	115 (3)	C8A—C7A—C1A	120.1 (18)
C309—C313—H313	121.5	C345—C346—C347	122 (3)
C312—C313—C309	117 (3)	C345—C346—H346	118.8
C312—C313—H313	121.5	C347—C346—H346	118.8
C332—N312—Zn34	121.0 (18)	C3A—C2A—H2A	119.1
C332—N312—C336	119 (2)	C3A—C2A—C1A	122 (2)
C332—N312—Zn44	121.0 (18)	C1A—C2A—H2A	119.1
C336—N312—Zn34	119.5 (19)	C8B—C9B—H9B	119.9
C315—C316—C308	121 (2)	C10B—C9B—H9B	119.9
C317—C316—C308	122 (3)	C10B—C9B—C8B	120 (2)
C317—C316—C315	117 (3)	N319—C359—H359	121.5
N309—C324—N308	127 (2)	N319—C359—C358	117 (4)
N309—C324—C321	117 (2)	C358—C359—H359	121.5
N308—C324—C321	117 (2)	C345—C349—H349	122.2
N306—C318—H318	118.2	C348—C349—C345	116 (5)
N306—C318—C317	124 (3)	C348—C349—H349	122.2
C317—C318—H318	118.2	C9B—C8B—C13B	118 (3)
C319—N307—Zn33	121.1 (18)	C9B—C8B—C7B	122 (3)
C319—N307—C323	118 (2)	C13B—C8B—C7B	119 (3)
C319—N307—Zn43	121.3 (18)	C3A—C4A—C14A	120 (3)
C323—N307—Zn33	120.5 (19)	C5A—C4A—C14A	120 (3)
C323—N307—Zn43	120 (2)	C5A—C4A—C3A	119.6 (19)
C343—N315—C342	116 (3)	C334—C335—H335	121.1
C319—C320—H320	121.6	C336—C335—C334	118 (3)
C321—C320—H320	121.6	C336—C335—H335	121.1
C321—C320—C319	117 (2)	C12B—C13B—H13B	119.0
C321—C322—H322	120.3	C8B—C13B—C12B	122 (3)
C321—C322—C323	119 (2)	C8B—C13B—H13B	119.0
C323—C322—H322	120.3	C2A—C3A—C4A	119 (2)
N305—C312—H312	116.5	C2A—C3A—H3A	120.4
C313—C312—N305	127 (3)	C4A—C3A—H3A	120.4
C313—C312—H312	116.5	C12B—C11B—H11B	120.0
C305—C304—H304	119.5	C10B—C11B—C12B	120 (3)
C303—C304—C305	121 (2)	C10B—C11B—H11B	120.0
C303—C304—H304	119.5	C3B—C2B—H2B	119.6
C347—N317—Zn46^vi	117 (3)	C3B—C2B—C1B	120.8 (16)
C347—N317—Zn36^vi	124 (4)	C1B—C2B—H2B	119.6
C348—N317—Zn46^vi	126 (3)	C6A—C5A—C4A	120.9 (19)
C348—N317—C347	118 (4)	C6A—C5A—H5A	119.6
C348—N317—Zn36^vi	118 (3)	C4A—C5A—H5A	119.6
C304—C303—C306	122 (2)	C6A—C1A—C7A	126 (2)
C304—C303—C302	119 (2)	C6A—C1A—C2A	118.2 (17)
C302—C303—C306	119 (2)	C2A—C1A—C7A	115 (2)
N323—C366—H366	118.8	C4B—C3B—H3B	120.0
N323—C366—C367	122 (2)	C2B—C3B—C4B	120.1 (16)
C367—C366—H366	118.8	C2B—C3B—H3B	120.0
C333—C334—C326	120 (2)	C9B—C10B—C11B	121 (3)
C333—C334—C335	120 (2)	C9B—C10B—H10B	119.4
C335—C334—C326	120 (2)	C11B—C10B—H10B	119.4
N312—C336—H336	117.8	N317—C348—C349	130 (4)
C335—C336—N312	124 (2)	N317—C348—H348	114.9
C335—C336—H336	117.8	C349—C348—H348	114.9
C355—N319—Zn45	115 (3)	C357—C358—C359	123 (4)
C355—N319—C359	118 (3)	C357—C358—H358	118.4
C355—N319—Zn35	123 (3)	C359—C358—H358	118.4
C359—N319—Zn45	126 (2)	C6B—C1B—C2B	119.2 (16)
C359—N319—Zn35	119 (2)	C6B—C1B—C7B	123 (2)
N305—C311—H311	118.3	C2B—C1B—C7B	118 (2)
N305—C311—C310	123 (3)	O1B—C7B—C8B	117 (3)
C310—C311—H311	118.3	O1B—C7B—C1B	119 (3)
N316—C343—N315	123 (3)	C1B—C7B—C8B	124 (3)
N316—C343—C345	119 (3)	C9A—C10A—H10A	119.1
N315—C343—C345	118 (3)	C11A—C10A—C9A	122 (3)
C372—N324—Zn46	124 (2)	C11A—C10A—H10A	119.1
C372—N324—Zn36	119 (2)	N317^iii—Zn36—N324	101.6 (13)
C368—N324—Zn46	116.0 (19)	N317^iii—Zn36—I311	104.7 (12)
C368—N324—C372	119 (3)	N317^iii—Zn36—I312	106.6 (12)
C368—N324—Zn36	121.6 (19)	N324—Zn36—I311	105.6 (10)
C316—C315—H315	119.0	N324—Zn36—I312	108.3 (9)
C314—C315—C316	122 (3)	I311—Zn36—I312	127.2 (7)
C314—C315—H315	119.0	N318—Zn35—N319	106.0 (12)
C370—C369—H369	118.8	N318—Zn35—I309	106.6 (9)
C368—C369—H369	118.8	N318—Zn35—I310	104.9 (9)
C368—C369—C370	122 (3)	N319—Zn35—I309	108.6 (11)
C339—C340—H340	121.4	N319—Zn35—I310	106.1 (11)
C341—C340—C339	117 (3)	I309—Zn35—I310	123.4 (5)
C341—C340—H340	121.4	N306—Zn43—N307	99.9 (10)
N307—C319—C320	124 (2)	N306—Zn43—I406	107.1 (10)
N307—C319—H319	118.0	N306—Zn43—I405	108.7 (10)
C320—C319—H319	118.0	N307—Zn43—I406	110.4 (9)
C320—C321—C324	118 (2)	N307—Zn43—I405	106.8 (9)
C322—C321—C324	121 (2)	I406—Zn43—I405	121.8 (6)
C322—C321—C320	120 (3)	N313—Zn44—N312	97.8 (10)
C363—C367—C366	121 (2)	N313—Zn44—I407	108.2 (10)
C363—C367—H367	119.7	N313—Zn44—I408	107.7 (10)
C366—C367—H367	119.7	N312—Zn44—I407	105.6 (11)
C339—C338—H338	119.8	N312—Zn44—I408	107.6 (11)
C339—C338—C337	120 (3)	I407—Zn44—I408	126.3 (6)
C337—C338—H338	119.8	N305—Zn32—N311^ii	100.0 (9)
C369—C370—C362	123 (3)	N305—Zn32—I304	107.0 (6)
C371—C370—C369	116 (3)	N305—Zn32—I303	106.8 (6)
C371—C370—C362	120 (2)	N311^ii—Zn32—I304	107.0 (7)
N322—C361—N321	125 (2)	N311^ii—Zn32—I303	111.0 (7)
N322—C361—C363	118 (2)	I303—Zn32—I304	122.57 (16)
N321—C361—C363	116 (2)	N301—Zn41—N323^i	84 (4)
C309—C310—C311	122 (3)	N301—Zn41—I402	84 (4)
C309—C310—H310	119.1	N301—Zn41—I401	132 (5)
C311—C310—H310	119.1	N323^i—Zn41—I402	77 (3)
C5A—C6A—H6A	119.9	N323^i—Zn41—I401	131 (5)
C5A—C6A—C1A	120.2 (18)	I401—Zn41—I402	129 (5)
C1A—C6A—H6A	119.9	N301—Zn51—I11	90 (3)
N320—C362—N322	129 (2)	N301—Zn51—I12	132 (4)
N320—C362—C370	116 (2)	N323^i—Zn51—N301	86 (3)
N322—C362—C370	114 (2)	N323^i—Zn51—I11	88 (3)
C301—C302—C303	117 (3)	N323^i—Zn51—I12	124 (5)
C301—C302—H302	121.5	I11—Zn51—I12	124 (4)
C303—C302—H302	121.5
Zn31—N301—C305—C304	172.8 (16)	C361—C363—C367—C366	179 (3)
Zn31—N301—C301—C302	−172 (2)	C361—C363—C364—C365	−176 (3)
Zn31^iv—N323—C366—C367	−177 (3)	C310—C309—C313—C312	4 (5)
Zn31^iv—N323—C365—C364	−179 (3)	C362—N320—C360—N321	0 (5)
Zn33—N306—C318—C317	176 (2)	C362—N320—C360—C357	−179 (3)
Zn33—N306—C314—C315	−175 (2)	C362—N322—C361—N321	1 (5)
Zn33—N307—C319—C320	179 (3)	C362—N322—C361—C363	−180 (3)
Zn33—N307—C323—C322	−179 (3)	C362—C370—C371—C372	−179 (4)
Zn42—N305—C312—C313	−177 (4)	C314—N306—C318—C317	−2 (5)
Zn42—N305—C311—C310	−176 (5)	C344—N316—C343—N315	−1 (4)
Zn42^v—N311—C330—C331	169 (5)	C344—N316—C343—C345	174 (3)
Zn42^v—N311—C329—C328	−163 (4)	C344—N314—C342—C339	−179 (2)
Zn42^v—C330—C331—C327	50 (19)	C344—N314—C342—N315	−1 (4)
Zn34—N313—C337—C338	−167 (2)	C344—C352—C353—C354	−175 (4)
Zn34—N313—C341—C340	162 (3)	C344—C352—C351—C350	176 (3)
Zn34—N312—C336—C335	−171 (4)	C345—C349—C348—N317	8 (9)
Zn46^vi—N317—C347—C346	−179 (2)	C337—N313—C341—C340	−6 (5)
Zn46^vi—N317—C348—C349	174 (4)	C354—N318—C350—C351	−7 (5)
Zn46—N324—C372—C371	170 (3)	C326—N308—C324—N309	1 (4)
Zn46—N324—C368—C369	−169 (4)	C326—N308—C324—C321	−174 (3)
Zn45—N318—C354—C353	−164 (4)	C326—C334—C333—C332	−177 (3)
Zn45—N318—C350—C351	165 (3)	C326—C334—C335—C336	176 (4)
Zn45—N319—C355—C356	−179 (3)	C341—N313—C337—C338	1 (4)
Zn45—N319—C359—C358	−179 (3)	C350—N318—C354—C353	8 (7)
N304—C308—C316—C315	−160 (2)	C333—C332—N312—Zn34	171 (3)
N304—C308—C316—C317	30 (4)	C333—C332—N312—C336	−3 (6)
N304—C307—C309—C313	−28 (4)	C333—C332—N312—Zn44	171 (3)
N304—C307—C309—C310	154 (3)	C333—C334—C326—N310	172 (3)
N301—C305—C304—C303	3 (3)	C333—C334—C326—N308	−13 (5)
N301—C301—C302—C303	−5 (4)	C333—C334—C335—C336	5 (7)
N305—C311—C310—C309	4 (6)	C356—C357—C358—C359	−2 (7)
N306—C318—C317—C316	−5 (5)	C347—N317—C348—C349	−4 (8)
N303—C306—C303—C304	−170 (2)	C353—C352—C351—C350	−2 (6)
N303—C306—C303—C302	15 (3)	C351—C352—C353—C354	3 (6)
N303—C307—C309—C313	151 (3)	C372—N324—C368—C369	1 (6)
N303—C307—C309—C310	−28 (4)	C6B—C5B—C4B—C14B	177 (3)
C325—N309—C324—N308	0 (4)	C6B—C5B—C4B—C3B	−1 (3)
C325—N309—C324—C321	175 (3)	C6B—C1B—C7B—O1B	146 (4)
C325—N310—C326—N308	2 (5)	C6B—C1B—C7B—C8B	−36 (5)
C325—N310—C326—C334	177 (3)	C368—N324—C372—C371	0 (7)
C325—C327—C331—C330	177 (4)	C368—C369—C370—C362	−179 (4)
C325—C327—C328—C329	−174 (3)	C368—C369—C370—C371	0 (6)
N318—C354—C353—C352	−7 (8)	C323—N307—C319—C320	−3 (5)
N318—C350—C351—C352	4 (6)	C323—C322—C321—C324	−177 (3)
N302—C308—C316—C315	22 (4)	C323—C322—C321—C320	−3 (5)
N302—C308—C316—C317	−148 (3)	C355—N319—C359—C358	2 (7)
N302—C306—C303—C304	6 (3)	C355—C356—C357—C360	−176 (3)
N302—C306—C303—C302	−169 (2)	C355—C356—C357—C358	5 (6)
N309—C325—N310—C326	−1 (5)	C330—N311—C329—C328	9 (5)
N309—C325—C327—C331	−179 (3)	C365—N323—C366—C367	4 (5)
N309—C325—C327—C328	2 (5)	C342—C339—C340—C341	173 (3)
N309—C324—C321—C320	13 (4)	C342—C339—C338—C337	−177 (3)
N309—C324—C321—C322	−173 (3)	C342—N314—C344—N316	1 (4)
N316—C343—C345—C346	154 (3)	C342—N314—C344—C352	−177 (3)
N316—C343—C345—C349	−32 (5)	C342—N315—C343—N316	2 (4)
N316—C344—C352—C353	10 (5)	C342—N315—C343—C345	−174 (3)
N316—C344—C352—C351	−168 (3)	C357—C356—C355—N319	−4 (6)
N323—C366—C367—C363	−4 (5)	C317—C316—C315—C314	−10 (4)
N323—C365—C364—C363	−4 (6)	C329—N311—C330—Zn42^v	−175 (4)
C308—N304—C307—N303	5 (4)	C329—N311—C330—C331	−6 (7)
C308—N304—C307—C309	−177 (2)	C5B—C6B—C1B—C2B	−2 (3)
C308—N302—C306—N303	2 (3)	C5B—C6B—C1B—C7B	180 (3)
C308—N302—C306—C303	−173 (2)	C5B—C4B—C3B—C2B	0 (3)
C308—C316—C315—C314	−180 (3)	C364—C363—C367—C366	−1 (5)
C308—C316—C317—C318	−179 (3)	C364—C363—C361—N322	174 (3)
N310—C325—N309—C324	0 (5)	C364—C363—C361—N321	−6 (4)
N310—C325—C327—C331	−1 (5)	C331—C327—C328—C329	8 (5)
N310—C325—C327—C328	−179 (3)	C328—C327—C331—C330	−5 (6)
C305—N301—C301—C302	3 (4)	C371—C370—C362—N320	180 (3)
C305—C304—C303—C306	−179 (2)	C371—C370—C362—N322	1 (5)
C305—C304—C303—C302	−5 (4)	O1A—C7A—C1A—C6A	127 (5)
N320—C360—C357—C356	179 (3)	O1A—C7A—C1A—C2A	−51 (6)
N320—C360—C357—C358	−2 (5)	C14B—C4B—C3B—C2B	−177 (3)
N311—C330—C331—C327	4 (8)	C8A—C9A—C10A—C11A	0 (2)
N311—C329—C328—C327	−10 (6)	C8A—C13A—C12A—C11A	0 (3)
N308—C324—C321—C320	−171 (3)	C8A—C7A—C1A—C6A	−52 (5)
N308—C324—C321—C322	3 (5)	C8A—C7A—C1A—C2A	130 (4)
C306—N303—C307—N304	−2 (4)	C14A—C4A—C3A—C2A	178 (4)
C306—N303—C307—C309	179 (2)	C14A—C4A—C5A—C6A	−178 (4)
C306—N302—C308—N304	1 (4)	C12B—C11B—C10B—C9B	1 (7)
C306—N302—C308—C316	179 (2)	C9A—C8A—C13A—C12A	1 (3)
C306—C303—C302—C301	−180 (2)	C9A—C8A—C7A—O1A	174 (4)
C339—C340—C341—N313	9 (6)	C9A—C8A—C7A—C1A	−7 (5)
C339—C338—C337—N313	2 (5)	C13A—C8A—C9A—C10A	−1 (3)
N321—C360—C357—C356	0 (5)	C13A—C8A—C7A—O1A	0 (5)
N321—C360—C357—C358	179 (4)	C13A—C8A—C7A—C1A	179 (3)
C327—C325—N309—C324	178 (3)	C12A—C11A—C10A—C9A	1 (3)
C327—C325—N310—C326	−179 (3)	C7A—C8A—C9A—C10A	−175 (3)
C301—N301—C305—C304	−2 (3)	C7A—C8A—C13A—C12A	175 (3)
C360—N320—C362—N322	4 (5)	C346—C345—C349—C348	−5 (6)
C360—N320—C362—C370	−175 (3)	C9B—C8B—C13B—C12B	−7 (6)
C360—N321—C361—N322	2 (5)	C9B—C8B—C7B—O1B	153 (5)
C360—N321—C361—C363	−178 (3)	C9B—C8B—C7B—C1B	−24 (6)
C360—C357—C358—C359	179 (4)	C359—N319—C355—C356	0 (6)
C307—N304—C308—N302	−4 (4)	C349—C345—C346—C347	1 (5)
C307—N304—C308—C316	177 (2)	C8B—C9B—C10B—C11B	−2 (6)
C307—N303—C306—N302	−2 (3)	C335—C334—C326—N310	1 (5)
C307—N303—C306—C303	174 (2)	C335—C334—C326—N308	176 (3)
C307—C309—C313—C312	−174 (3)	C335—C334—C333—C332	−5 (6)
C307—C309—C310—C311	176 (3)	C13B—C12B—C11B—C10B	−3 (7)
C332—N312—C336—C335	2 (7)	C13B—C8B—C7B—O1B	−31 (6)
C309—C313—C312—N305	−9 (6)	C13B—C8B—C7B—C1B	151 (4)
N314—C344—C352—C353	−172 (4)	C3A—C2A—C1A—C6A	−5 (6)
N314—C344—C352—C351	10 (4)	C3A—C2A—C1A—C7A	173 (4)
C313—C309—C310—C311	−2 (5)	C3A—C4A—C5A—C6A	−2 (6)
N312—C332—C333—C334	5 (6)	C11B—C12B—C13B—C8B	5 (6)
N312—C336—C335—C334	−3 (8)	C2B—C1B—C7B—O1B	−32 (6)
C316—C315—C314—N306	2 (4)	C2B—C1B—C7B—C8B	145 (4)
C324—N308—C326—N310	−2 (5)	C5A—C6A—C1A—C7A	−173 (3)
C324—N308—C326—C334	−176 (3)	C5A—C6A—C1A—C2A	5 (5)
C318—N306—C314—C315	3 (4)	C5A—C4A—C3A—C2A	2 (6)
N315—C343—C345—C346	−30 (4)	C1A—C6A—C5A—C4A	−2 (5)
N315—C343—C345—C349	144 (4)	C1A—C2A—C3A—C4A	1 (6)
C312—N305—C311—C310	−8 (5)	C3B—C2B—C1B—C6B	2 (3)
C304—C303—C302—C301	5 (4)	C3B—C2B—C1B—C7B	−180 (3)
N317—C347—C346—C345	3 (5)	C10B—C9B—C8B—C13B	5 (6)
C366—N323—C365—C364	−1 (5)	C10B—C9B—C8B—C7B	−180 (4)
N319—C359—C358—C357	−1 (8)	C348—N317—C347—C346	−1 (6)
C311—N305—C312—C313	11 (5)	C1B—C6B—C5B—C4B	1 (3)
C343—N316—C344—N314	0 (5)	C1B—C2B—C3B—C4B	−0.9 (19)
C343—N316—C344—C352	178 (3)	C7B—C8B—C13B—C12B	178 (4)
C343—N315—C342—C339	178 (2)	C10A—C11A—C12A—C13A	−1 (4)
C343—N315—C342—N314	−1 (4)	Zn36^vi—N317—C347—C346	176 (2)
C343—C345—C346—C347	175 (3)	Zn36^vi—N317—C348—C349	178 (5)
C343—C345—C349—C348	−180 (4)	Zn36—N324—C372—C371	177 (3)
N324—C372—C371—C370	−1 (7)	Zn36—N324—C368—C369	−176 (3)
C315—C316—C317—C318	11 (4)	Zn35—N318—C354—C353	−170 (4)
C369—C370—C362—N320	−1 (5)	Zn35—N318—C350—C351	172 (3)
C369—C370—C362—N322	−179 (4)	Zn35—N319—C355—C356	−179 (3)
C369—C370—C371—C372	1 (6)	Zn35—N319—C359—C358	−178 (4)
C340—C339—C338—C337	1 (4)	Zn43—N306—C318—C317	176 (2)
C340—C339—C342—N314	−5 (4)	Zn43—N306—C314—C315	−175 (2)
C340—C339—C342—N315	176 (3)	Zn43—N307—C319—C320	179 (3)
C319—N307—C323—C322	3 (5)	Zn43—N307—C323—C322	−179 (3)
C319—C320—C321—C324	177 (3)	Zn44—N313—C337—C338	−167 (2)
C319—C320—C321—C322	3 (5)	Zn44—N313—C341—C340	163 (3)
C321—C320—C319—N307	0 (5)	Zn32—N305—C312—C313	177 (3)
C321—C322—C323—N307	0 (5)	Zn32—N305—C311—C310	−174 (3)
C367—C363—C361—N322	−6 (4)	Zn32^v—N311—C330—C331	175 (4)
C367—C363—C361—N321	173 (3)	Zn32^v—N311—C329—C328	−173 (3)
C367—C363—C364—C365	5 (6)	Zn41—N301—C305—C304	−173 (6)
C338—C339—C340—C341	−6 (5)	Zn41—N301—C301—C302	178 (4)
C338—C339—C342—N314	173 (3)	Zn41^iv—N323—C366—C367	162 (4)
C338—C339—C342—N315	−5 (4)	Zn41^iv—N323—C365—C364	−153 (5)
C370—C369—C368—N324	−1 (7)	Zn51—N301—C305—C304	170 (3)
C361—N322—C362—N320	−4 (5)	Zn51—N301—C301—C302	−164 (4)
C361—N322—C362—C370	175 (3)	Zn51^iv—N323—C366—C367	−152 (4)
C361—N321—C360—N320	−2 (5)	Zn51^iv—N323—C365—C364	162 (4)
C361—N321—C360—C357	177 (3)

Symmetry codes: (i) x, y+1, z+1; (ii) x, y+1, z; (iii) x+1, y+1, z; (iv) x, y−1, z−1; (v) x, y−1, z; (vi) x−1, y−1, z.