2/1 and 1/1 cubic approximants in the ternary R-Cd-Mg (R = Y, Er) systems

The atomic structures of three cubic approximants (cAPs), Y_12.7Cd_61.8Mg_25.5 [2/1 cAP with space group Pa3, a = 25.0654 (1) Å] and Er_12.5Cd_72.0Mg_15.5 [2/1 cAP with Pa3, a = 24.9658 (1) Å], and Y_14.5Cd_66.1Mg_19.4 [1/1 cAP with Im3, a = 15.4577 (1) Å], were investigated using X-ray structure analysis. The two 2/1  cAPs were found to be isostructural to the binary 2/1 cAP, YbCd_5.8, which is composed of two building units, namely Tsai-type rhombic triacontahedron (RTH) cluster and double-Friauf polyhedron (DFP). The 1/1 cAP, in contrast, was found to be isostructural to the binary 1/1 cAP, YbCd₆, which is composed solely of the RTH cluster. The refined structure models of the three cAPs exhibit substitutional disorders due to the Mg content that enters into Cd sites of the parent binary cAPs. In addition, in the 2/1 cAPs, the Y3(Er3) site on the third icosahedron shell of the RTH cluster and two positions inside DFP, Y5(Er5) sites, are partially mixed with Mg. Moreover, characteristic positional disorders owing to orientational disorder in the first shell of the RTH cluster is observed in all the three cAPs. A close relationship between the occupational disorder of the Y3(Er3) and Y5(Er5) sites in 2/1 cAPs and the elemental distribution in their first coordination shells is revealed.

1. Introduction

Icosahedral quasicrystals (iQCs) possess long-range order which generates sharp peaks in the diffraction diagram along with a rotational symmetry incompatible with translational symmetry (Shechtman et al., 1984; Levine & Steinhardt, 1984). The atomic structure of iQCs can be described within the so-called higher-dimensional crystallography (Janssen et al., 2007; de Boissieu et al., 2007), in which the atomic arrangement is generated as a three-dimensional (3D) section of a six-dimensional (6D) hypothetical crystal structure (or hypercrystal). The atomic structure can be modified by applying a shear strain to the 6D hypercrystal along the perpendicular space. Such a shear strain is called a linear phason strain [see, for instance, Quiquandon et al. (1999) and references therein] and can make real space intersect the 6D hypercrystal at more than one translationally equivalent points simultaneously. The real-space section would then be periodic at least in one direction. A series of cubic crystal structures with varying periodicity can be generated by introducing isotropic linear phason strains, and these are hereafter referred to as cubic approximants (cAPs). Each cAP is attached to a rational number, q/p, which belongs to the sequence, 1/0, 1/1, 2/1, …, F_n/F_n−1, … that converges to the golden mean, τ = [1 + (5)^1/2]/2. Here, F_n is the nth Fibonacci number. The relation between the 6D unit-cell parameter a_6D of the hypercrystal and the 3D unit-cell parameter a_q/p of a q/p cAP is expressed as (Goldman & Kelton, 1993)

In 2000, the first stable iQCs as binary alloys were discovered in the Yb-Cd and Ca-Cd systems (Tsai et al., 2000; Guo et al., 2000). Seven years later, Takakura et al. performed a structure analysis of the binary iQC, i-YbCd_5.7, using single-crystal X-ray diffraction (SXRD), leading to the first ever accurate structure determination of an iQC (Takakura et al., 2007). This was made possible due largely to the high structural quality without chemical disorder, which could not be hoped for with any ternary iQC. The reported atomic structure involves two main building blocks, i.e. rhombic triacontahedron (RTH) and acute rhombohedron units as depicted in Fig. 1. The RTH unit, also known as the Tsai-type cluster, consists of five constituent shells (ordered from the centre): Cd₄ tetrahedron, Cd₂₀ dodecahedron, Yb₁₂ icosahedron, Cd₃₀ icosidodecahedron and Cd₉₂ RTH. The acute rhombohedron unit contains two Yb atoms on its longer body diagonal, while the vertices and mid-edge positions are occupied by Cd atoms. The latter can also be interpreted as double Friauf polyhedron (DFP), as depicted in Fig. 1(b). In these binary alloy systems, both 1/1 and 2/1 cAPs form and their chemical compositions are very close to those of the iQCs, i.e. YbCd₆ and CaCd₆ for 1/1 cAPs and YbCd_5.8 and Ca₁₃Cd₇₆ for 2/1 cAPs (Pay Gómez & Lidin, 2001, 2003; Takakura et al., 2001). The atomic structure of the 1/1 cAPs is described as a body-centred cubic packing of RTHs, while that of the 2/1 cAP involves both RTHs and DFPs, as depicted in Figs. 1(c) and 1(d), respectively.

Figure 1 Building blocks of i-YbCd5.7 and related cAPs. The red and grey spheres represent Yb and Cd atoms, respectively. (a) The shell structure of the Tsai-type cluster (RTH unit). (b) The atomic decoration of the DFP unit. (c,d) The arrangements of Tsai-type clusters in the 1/1 (YbCd6) and 2/1 (YbCd5.8) cAPs, respectively, depicted using the third icosahedral shells. (e,f) Pairs of Tsai-type clusters connected by b and c linkages, respectively, depicted using the outermost polyhedra.

In the atomic structure of the iQC, 2/1 and 1/1 cAPs, RTHs are connected to each other by two kinds of linkages, i.e. b and c linkages (Takakura et al., 2007). A b linkage connects two RTHs along a twofold axis such that a rhombic face is shared between the two, as shown in Fig. 1(e). A c linkage connects two RTHs along a threefold axis such that the two are weakly interpenetrated with each other (sharing an obtuse rhombohedron), as shown in Fig. 1(f). The whole arrangement of RTHs thus defines a network connected by these linkages, wherein the local configuration of each RTH is characterized by the numbers, N_b and N_c, of b and c linkages, respectively, connecting the RTH to its adjacent neighbours. In the refined structure model of the YbCd_5.7 iQC, the twelvefold sphere-packing model with icosahedral symmetry is employed as the underlying bc network (Henley, 1986). This model has 18 distinct local configurations, in which the most frequent ones are characterized by (N_b, N_c) = (7, 5) and (6, 6) (Takakura, 2008; Takakura & Strzałka, 2017). By contrast, in the 2/1 or 1/1 cAPs, every RTH has a unique local configuration with the corresponding numbers being (6, 7) or (6, 8), respectively. Note that neither of the latter two is a member of the 18 allowed local configurations in the structure model of the iQC.

Recently, new binary iQCs were discovered in the R-Cd (R = Gd to Tm, and Y) and Sc-Zn systems (Canfield et al., 2010; Goldman et al., 2013). Soon afterwards, structure analysis was performed on some of these binary iQCs including i-GdCd_7.88, i-DyCd_7.50, i-TmCd_7.28 and i-ScZn_7.33, where they were found to be isostructural to i-YbCd_5.7 (Yamada et al., 2016a,b). Yet, an important difference lies in the presence of occupational disorder at two kinds of rare-earth sites, i.e. the third icosahedron shell of RTH and diagonal positions of DFP. Because of the occupational disorder, the compositional weights of rare-earth elements are significantly reduced from that of i-YbCd_5.7, in which both of these sites are purely occupied by Yb. In fact, the intricate nature of the occupational disorder has not been fully clarified yet as the previous refinements by Yamada et al. used a single global parameter to determine the mixing ratio of the two species at each of the icosahedron shell sites. In contrast, the occupational disorder at any of the rare-earth sites most likely depends on the local atomic environment which derives from the arrangement of neighbouring clusters. A way to accommodate the intrinsic effect of local atomic environment in a refinement would be to introduce multiple occupation probability parameters for different sub-classes of rare-earth sites.

2/1 cAPs are often highlighted as the simplest cAPs that involve both the RTH and DFP units. This implies that a suitable 2/1 cAP could provide insight into the occupational disorder that persists in the binary iQCs, i-R-Cd (with R ≠ Yb) and i-Sc-Zn. To date, however, the only reported 2/1 cAPs in binary alloy systems, YbCd_5.8 and Ca₁₃Cd₇₆, are free from chemical disorder, in that the icosahedron shell and diagonal positions of DFP are purely occupied by Yb and Ca, respectively (Pay Gómez & Lidin, 2001). Meanwhile, new 2/1 cAPs were found in ternary R-Cd-Mg (R = Gd to Tm, and Y) alloy systems (Labib et al., 2019, 2020) with the concentration of the large atoms (i.e. R) being significantly lower than that in YbCd_5.8 and Ca₁₃Cd₇₆ 2/1 cAPs. This strongly suggests the presence of occupational disorder at the third icosahedron shell of RTH and the two positions inside DFP. The main purpose of this study is to analyze the atomic structure of these ternary 2/1 cAPs, hoping to gain insight into the nature of the occupational disorder. The acquired information could possibly be applied to refining the 6D structure model of related iQCs including those in the binary R-Cd and Sc-Zn systems.

In this paper, the atomic structure of ternary Y-Cd-Mg 2/1 and 1/1 cAPs and the Er-Cd-Mg 2/1 cAP is investigated in detail using X-ray single-crystal structure analysis. Our refined structure models show that the Cd sites of the parent binary Yb-Cd cAPs are partially substituted with Mg. In addition, we find that in both the 2/1 cAPs, Mg also partially substitutes some R sites which belong to a unique crystallographic position in the third icosahedron shell of the RTH unit and to the diagonal positions of the DFP unit. As for the 1/1 cAP, the icosahedral shell was found to be fully occupied by Y. The mixing ratios of R/Mg and Cd/Mg in the refined structures are found to be strongly correlated with the local chemical environment of individual sites.

The paper is organized as follows: in §2 we described the experimental detail, and in §3 we present the results of SXRD. In §4 we present the result of structure refinements of the Y-Cd-Mg 2/1 and 1/1 cAPs and the Er-Cd-Mg 2/1 cAP. In §5 we describe the refined structures. In the last section, we summarized the important characteristics of the atomic structures.

2. Experimental

In this study, single grains of the Y-Cd-Mg 2/1 and 1/1 cAPs and the Er-Cd-Mg 2/1 cAP that had been previously synthesized by the self-flux method were studied by SXRD experiment. The details of synthesis and characterization can be found elsewhere (Labib et al., 2019; Labib et al., 2020). The evaluated compositions of these alloys using scanning electron microscopy with energy-dispersive X-ray spectroscopy are Y_12.7Cd_61.8Mg_25.5 and Er_12.5Cd_72.0Mg_15.5 for the 2/1 cAPs and Y_14.5Cd_66.1Mg_19.4 for the 1/1 cAP. SXRD experiments for the Y-Cd-Mg and Er-Cd-Mg 2/1 cAPs were carried out with an XtaLAB synergy single-crystal diffractometer equipped with Hybrid Pixel Array Detector (HyPix6000, Rigaku) using Mo Kα radiation (λ = 0.71073 Å), at ambient temperature. The data collection was performed with a crystal-to-camera distance of 35 mm. An SXRD experiment for the Y-Cd-Mg 1/1 cAP was carried out with a single-crystal diffractometer equipped with a CCD detector (Saturn 724HG, Rigaku) using Mo Kα radiation at 100 K. The data collection was performed with a crystal-to-camera distance of 45 mm. In each of these experiments, a single-crystal specimen of about 50 µm in diameter was selected from crushed fragments of the alloy and mounted on a MiTeGen MicroMount^TM. The indexing of Bragg reflections, integration of diffraction intensities and absorption correction were performed utilizing the CrysAlisPRO software (Rigaku Oxford Diffraction, 2018).

3. Structural analysis

3.1. Single-crystal X-ray diffraction

For the Y-Cd-Mg 1/1 cAP, 64 031 reflections were observed with a resolution limit of 0.51 Å. All the reflections were indexed using a body-centred cubic lattice with a unit-cell parameter of 15.4577 (1) Å. For the Y-Cd-Mg 2/1 cAP, 439 634 reflections were observed with a resolution limit of 0.8 Å. All the reflections were indexed using a primitive cubic lattice with a unit-cell parameter of 25.0654 (1) Å. The unit-cell parameters are close to those of the 1/1 cAC (15.48 Å) and 2/1 cAC (25.05 Å), respectively, estimated from a 6D unit-cell parameter of the YCd_7.48 iQC (7.955 Å) using equation (1) (Goldman et al., 2013). The Laue class was assumed while performing an empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK module in CrysAlisPRO. The space groups and were suggested by the space group determination module, GRAL, in CrysAlisPRO for the 1/1 and 2/1 cAPs, which resulted in 2579 and 5382 unique reflections with internal agreement factors (R_int) being 0.0292 and 0.038, respectively. Reciprocal space sections perpendicular to twofold, threefold and pseudo-fivefold directions as reconstructed from the SXRD data sets are provided in the supporting information, in which no superstructure reflection can be spotted meaning that all the observed reflections satisfy the reflection conditions of the space groups.

For the Er-Cd-Mg 2/1 cAP, 443 875 reflections were observed with a resolution limit of 0.8 Å. All the reflections were indexed using a primitive cubic lattice with a unit-cell parameter of 24.9658 (1) Å. The same process as above resulted in 5307 unique reflections with R_int being 0.036 with the space group .

3.2. Phase retrieval

Ab initio phasing was carried out on the diffraction data using the charge-flipping algorithm (Oszlányi & Sütő, 2004, 2005) with the SUPERFLIP program (Palatinus & Chapuis, 2007). Preliminary structural models were subsequently constructed from the resulting electron densities by utilizing the JANA2006 program (Petříček et al., 2014).

For the Y-Cd-Mg 1/1 cAP, the preliminary model was isostructural to the RCd₆ 1/1 cAP (Pay Gómez & Lidin, 2001), with an RTH unit comprising the second dodecahedron (M2, M4), third icosahedron (Y1), fourth icosidodecahedron (M3, M5), and fifth RTH (M1, M3, M4, M6) shells. The first shell was absent at this stage. Besides, the model seemed unreliable in terms of elemental distribution because wrong assignment of elements to the atomic sites was highly possible due to the presence of both occupational and positional disorders. Therefore, instead of accepting the preliminary model as it is, a hypothetical model of the binary YCd₆ 1/1 cAP was built by elemental replacements, such that Y and Cd atoms are arranged at Y1 and M1–M6 positions, respectively, to be used as the initial model for the refinement. As described in the next subsection, occupational and positional disorders were taken into account by introducing chemical mixings and site splittings while iterating refinement cycles that used the difference Fourier synthesis method.

For the Y-Cd-Mg 2/1 cAP, the preliminary model was isostructural to the Ca₁₃Cd₇₆ 2/1 cAP that involves both the RTH and DFP units (Pay Gómez & Lidin, 2001). A difference between the latter two structures was evident in the first shell: we found a triangle as the first shell in the ternary model while it is a tetrahedron in the Ca₁₃Cd₇₆ 2/1 cAP. Similar to the case of the 1/1 cAP, we built a hypothetical model of the binary Y-Cd 2/1 cAP to be used as the initial model. Here, Y atoms were arranged in the third icosahedron shell (Y1–Y4) and at the diagonal positions of DFP (Y5), corresponding to the Ca sites in the Ca₁₃Cd₇₆ 2/1 cAP. Cd atoms on the other hand were arranged at the other sites (M1–M27), which include the first triangle (M27), second dodecahedron (M8, M9, M13, M14, M15, M16, M19, M21), fourth icosidodecahedron (M6, M7, M10, M11, M12, M17, M18, M20, M22, M25) and fifth RTH (M1, M2, M3, M4, M5, M6, M7, M8, M10, M11, M12, M15, M16, M17, M18, M23, M24, M26) shells. An initial model for the Er-Cd-Mg 2/1 cAP was built in the same way as described above.

3.3. Structure analysis of 1/1 cAP

For the Y-Cd-Mg 1/1 cAP, structure parameters including atomic coordinates, site occupation factors (SOFs) and atomic displacement parameters (ADPs) were refined by utilizing SHELXL program (Sheldrick, 2015) against 2562 unique reflections. After iterating structure-refinement cycles utilizing the difference Fourier synthesis method, the first shell (M7, 48h) was introduced with an SOF being 1/6, which amounts to a total of four atoms in each cluster centre. In addition, mixtures of Cd/Mg were assigned to M1–M7 and the mixing ratios were refined, which is followed by introducing site splits. After iterating refinement cycles, we found that each of the M2–M5 sites splits into two, and that the M7 site splits into three. ADPs of Cd and Mg occupying the same position were restrained to be identical for the splitting sites of M2–M5, while a common ADP was set for the triad of M7. The fitting converged with reliability indexes of R1 = 0.0224, wR2 = 0.0509 and S = 1.245. Here, the weight, w, was estimated using equation:

where a = 0.0144 and b = 31.4293 are fitting parameters and . The refined composition (Y_14.5Cd_66.1Mg_19.4) was in good agreement with the experimental one (Y_14.18Cd_64.95Mg_20.86). Basic crystallographic information and parameters for the data collection and structure refinement are summarized in Table 1. These data are also provided in the relevant crystallographic information file (CIF) provided in supporting information.

Table 1
Experimental details

	YCdMg 1/1-cAP	YCdMg 2/1-cAP
Crystal data
Chemical formula	Y24Cd109.89Mg35.29	Y90.40Cd432.91Mg177.41
Mr	15344.63	61013.94
Crystal system, space group	Cubic, Im	Cubic, Pa
Temperature (K)	100	298
a (Å)	15.4577 (1)	25.0654 (1)
V (Å^3)	3693.47 (3)	15747.9 (1)
Z	1	1
F(000)	6660	26441
Dx (Mg m^−3)	6.899	6.434
Radiation type	Mo Kα	Mo Kα
μ (mm^−1)	25.01	22.54
Crystal size (mm)	0.08 × 0.08 × 0.07	0.65 × 0.60 × 0.50
Data collection
Diffractometer	MicroMax007HF - Saturn 724 HG	XtaLAB Synergy R, HyPix
Absorption correction	Multi-scan (CrysAlis PRO). Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	Multi-scan (CrysAlis PRO). Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.
Tmin, Tmax	0.505, 1.000	0.766, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections	64 031, 2579, 2562	422 818, 5382, 5128
Rint	0.029	0.037
(sin θ/λ)max (Å^−1)	0.976	0.625
Refinement
Refinement composition	Y14.18Cd64.95Mg20.86	Y12.71Cd60.47Mg26.82
R[F^2 > 2σ(F^2)], wR(F^2), S	0.022, 0.051, 1.25	0.038, 0.091, 1.17
No. of reflections	2579	5382
No. of parameters	76	438
No. of restraints	0	6
Δρmax, Δρmin (e Å^−3)	2.37, −1.36	1.84, −1.36
Computer programs: CrysAlis PRO 1.171.39.46 (Rigaku Oxford Diffraction, 2018), SUPERFLIP (Palatinus & Chapuis, 2007), SHELXL2016/6 (Sheldrick, 2015).

Fig. 2(a) presents the constituent shells of the RTH unit in the refined structure. Figs. 2(b)–2(d) present electron-density isosurfaces showing characteristic atomic displacements at M2, M3, M4, M5 and M7. These isosurfaces were generated by Dysnomia (Momma et al., 2013), a computer program to perform the maximum entropy method, with R = 0.013 and wR = 0.015. M7 (first shell) is split into M7a, M7b and M7c, each of which is occupied by Cd/Mg with a mixing ratio of 0.72/0.28. The second dodecahedron shell consists of two independent atomic positions, M2 and M4, which are occupied by Cd/Mg with mixing ratios of 0.95/0.05 and 0.80/0.20, respectively. We found the former splits into M2a and M2b, separated by 0.415 (6) Å and the latter splits into M4a and M4b, separated by 0.399 (1) Å. The corresponding electron density isosurfaces for M2 and M4 are somewhat elongated as shown in Figs. 2(c) and 2(d), respectively. The third icosahedron shell consists of Y1 which is fully occupied by Y. The fourth icosidodecahedron shell consists of two independent positions, M3 and M5, for which the corresponding electron density isosurfaces are somewhat elongated as shown in Figs. 2(d) and 2(c), respectively. Two split sites were introduced for both M3 [M3a and M3b, separated by 0.309 (7) Å] and M5 [M5a and M5b, separated by 0.406 (3) Å]. Both M3 and M5 are occupied by Cd/Mg with mixing ratios of 0.90/0.10 and 0.28/0.72, respectively. The fifth RTH shell consists of four independent positions, M1, M3, M4 and M6. M1 comes with a single site that is fully occupied by Cd, whereas M6 comes with a single site that is occupied by Cd/Mg with a mixing ratio of 0.13/0.87. M3 and M4 are shared with the fourth and second shells, respectively.

Figure 2 Representation of the atomic coordinates (as spheres), the occupancies (as colored fractions of spheres, with white meaning unoccupied) and the calculated electron-density isosurfaces in the refined structure of the Y-Cd-Mg 1/1 cAP. (a) shell structures in the RTH units. Electron-density isosurfaces at (b) M7, (c) M2 and M5, (d) M3 and M4 as obtained from the maximum entropy method. The electron-density isosurfaces were drawn at the 5 e^−Å^−3 level.

When comparing the resulting structure of the 1/1 cAP to that of Yb_13.3Cd_70.3Mg_16.5 1/1 cAP (Yamada et al., 2017), we found the following differences. First, the overall shape of the electron density isosurfaces for the first shell of the Y-Cd-Mg 1/1 cAP [Fig. 2(b)] differs from that of the Yb_13.3Cd_70.3Mg_16.5 1/1 cAP. Second, the Yb_13.3Cd_70.3Mg_16.5 1/1 cAP exhibits a much larger M4-splitting of 1.10 (2) Å than that in the Y-Cd-Mg 1/1 cAP [namely, 0.399 (1) Å]. Third, the Yb_13.3Cd_70.3Mg_16.5 1/1 cAP entails an extra site, M8, with a fractional occupancy at the centre of each cube spanned by M3 and M4 (Yamada et al., 2017), whereas there is no need for such an extra site for the Y-Cd-Mg 1/1 cAP.

These differences are worth having a closer look. In the Yb_13.3Cd_70.3Mg_16.5 1/1 cAP, the electron density of the first shell is concentrated at the corners of a cube oriented towards threefold directions parallel to 〈111〉 from the cluster centre. Only four atoms can enter these positions to form a tetrahedron in one of the two possible orientations related through 90° rotation. The disorder associated with the tetrahedral orientation is called the `type-I disorder' by Pay Gómez & Lidin (2003), wherein each of the cube corners are semi-occupied. On the other hand, in the Y-Cd-Mg 1/1 cAP, the electron density shows a ring of maxma around the threefold centre as seen in Fig. 2(b). This is interpreted as a result of site splitting that takes place at every corner of a tetrahedron. The associated disorder, called the `type-II disorder' by Pay Gómez & Lidin (2003), indeed coexists with the type-I disorder in the Y-Cd-Mg 1/1 cAP because the site splitting is observed at every corner of the cube in the electron density map. The noted difference in the magnitude of M4 splitting can be connected to the different types of disorder in the first shell. Note that the unrealistic short distance [1.75 (2) Å] between M7 in the first shell and M4 in the second shell in the Yb_13.3Cd_70.3Mg_16.5 1/1 cAP prohibits adjacent M4 and M7 sites to be occupied simultaneously, thus causing a large split distance of M4 to avoid collision with an occupied M7 site. More specifically, the large splitting of M4 results from a push or pull by the first shell along a threefold axis (Yamada et al., 2017). Note that this can provide a large enough space to accept an extra atom at M8, which is located at the midpoint of each c linkage, when two opposing atoms at M4 are pulled away towards cluster centres. On the other hand, in the case of the Y-Cd-Mg 1/1 cAP, the four atoms in the first shell are deviated from the c linkages, so that the push or pull mechanism is suppressed. Hence, there would not be enough space to accept an extra atom at M8 even when the two opposing atoms at M4 were pulled away. Of course, this can be taken the other way around. The cube spanned by M3 and M4 is slightly smaller and hence possibly stiffer in the Y-Cd-Mg 1/1 cAP than that in the Yb_13.3Cd_70.3Mg_16.5 1/1 cAP due to the smaller unit cell. This would hinder the push or pull mechanism to distort the cube and, in compensation, the tetrahedral vertices would split in the first shell. In both the scenarios, the contrast between the two structures in terms of the occupational and positional disorders at M4 and M8 can be closely connected with the different types of orientational disorder in the first shell represented by M7.

3.4. Structure analysis of 2/1 cAP

For the Y-Cd-Mg 2/1 cAP, structure refinement was performed using 5382 unique reflections. Mixtures of Cd and Mg were assigned to atomic sites, M1–M27, and their SOFs along with the coordinates and ADPs were refined. Besides, a mixing ratio of Cd/Mg on the first shell (M27) was fixed to be 0.3/0.1, based on the refinement result of the Y-Cd-Mg 1/1 cAP. After iterating structure-refinement cycles utilizing the difference Fourier synthesis method, a partial atomic occupation at the centre of the RTH unit was revealed by residual electron densities at around (0.1545 0.1545 0.1545) (8c). Since previous authors had shown that the cluster centres in various Tsai-type 1/1 cAPs could be partially or fully occupied by a single large (i.e. rare-earth) atom instead of the first tetrahedron shell (Fornasini et al., 2008; Lin & Corbett, 2010; Deguchi et al., 2015; Gebresenbut et al., 2016, 2020; Yamada et al., 2017), we arranged an atomic site for Y atom at the centre position and refined the SOF assuming that the innermost part of the RTH unit is either a single Y (labelled Y6) atom or the first triangle shell. The subsequent refinement cycles converged with reliability indexes of R1 = 0.0601, wR2 = 0.1703 and S = 1.097. Here, the parameters in the weight function of equation (2) were determined to be a = 0.0289 and b = 339.1513. The resulting structure, however, exhibits large residual electron densities with a maximum of 5.47 e⁻ Å⁻³ and a minimum of −5.48 e⁻ Å⁻³. The minimum, in particular, is located at a distance of 0.45 Å from the Y3 site, implying that Y3 has a chemical mixing with the lighter element (i.e. Mg) rather than with the heavier Cd.

In an improved model, mixtures of Y/Mg were assigned to all the Y sites (Y1–Y5), and their SOFs were refined accordingly. The refinement converged with reliability indexes of R1 = 0.0439, wR2 = 0.1129 and S = 1.158. The resulting mixing ratios of Y/Mg were 0.50/0.50 and 0.74/0.26 for Y3 and Y5, respectively, while the other Y sites all within the third icosahedron shell were found to be fully occupied by Y atoms. At this stage, however, the resulting structure still exhibits high residual densities with a maximum of 3.66 e⁻ Å⁻³, which led to Alert level A in checkCIF (Spek, 2020). Prominent residual peaks are located nearby the atomic sites in the second dodecahedron shell. As a further improvement, we introduced five additional sites, M28–M32, with fractional occupancies of Cd. Here, their ADPs were fixed to be 0.01 Ų and the possible mixing of Cd with Mg was not used on account of the relatively small gain compared to the associated instabilities in refinement calculations. The fitting converged with reliability indexes of R1 = 0.0380, wR2 = 0.0907 and S = 1.166. Here, the fitting parameters in the weight function w of equation (2) were determined to be a = 0.0289 and b = 339.1513. The refined composition (Y_12.71Cd_60.47Mg_26.82) was in good agreement with the experimental one (Y_12.7Cd_61.8Mg_25.5). Basic crystallographic information and parameters for the data collection and structure refinement are summarized in Table 1. The same data can also be found in the relevant CIF provided in supporting information.

Figs. 3(a) and 3(b) present the constituent shells of the RTH unit and atomic arrangement within the DFP unit, respectively, in the resulting structure of the 2/1 cAP. Fig. 3(c) presents electron-density isosurfaces in the central part of RTH generated by Dysnomia (Momma et al., 2013) with R = 0.024 and wR = 0.019. The innermost shell of the RTH unit in Fig. 3(a) is a superposition of two mutually exclusive entities. On one hand, the single site Y6 with SOF being 0.067 models the weak electron density peak presented in the centre of Fig. 3(c). On the other hand, seven split sites (M27a–M27g), which are occupied by Cd/Mg with the fixed mixing ratio of 0.3/0.1, are used to model the three arc shaped isosurfaces surrounding the centre. The resulting SOFs for M27a–M27g correspond to about 2.4 atoms present at M27 in the refined structure. Note that the number of atoms at M27 may differ depending on the mixing ratio of Cd/Mg which was fixed to 0.3/0.1 in present analysis. The second dodecahedron shell consists of eight independent positions which are preferentially occupied by Cd. In particular, three of the positions on the c linkages are represented by sites labelled M8, M15 and M16 and are fully occupied by Cd/Mg without site splitting. [Note that the M8 and M21 sites in the second shell are on the threefold symmetry axis, while the former is hidden behind M9 in Fig. 3(a).] These sites are on average at a distance of 4.40 (6) Å from the cluster centre, while the other sites that show site splitting are on average at a distance of 3.94 (7) Å, indicating that the second dodecahedron shell is distorted along c linkages. The distortion can be interpreted as a result of a push or pull by the first shell, in the same manner as the first tetrahedron shell results in large site-splitting in the 1/1 cAP. The third icosahedron shell consists of four independent positions (Y1–Y4), all of which except Y3 are non-mixed and represented by fully occupied Y sites. The Y3 position, on the other hand, is occupied by a mixture of Y/Mg, while it also shows site splitting which is represented by two split sites labelled Y3a and Y3b lying 0.73 (2) Å apart. The fourth icosidodecahedron shell consists of ten independent positions and is found to be distorted in such a way that the triangle faces intersecting with c linkages becomes wider. In addition, sites on the b linkages (M22, M25) are found to be preferentially occupied by Mg without site splitting. In contrast, the other positions in the fourth shell show site splitting and these are preferentially occupied by Cd or Cd/Mg. The fifth RTH shell consists of 17 independent positions. The vertex positions of RTH are preferentially occupied by Mg except for M15 and M16 which are shared with neighbouring second dodecahedron shells. On the other hand, the edge-centre sites are preferentially occupied by Cd. Since all the six rhombic faces of the DFP unit are shared with adjacent RTH shells, the vertex and edge-centre sites of the DFP are preferentially occupied by Mg and Cd, respectively. The diagonal positions (Y5) of the DFP unit are found to be occupied by a mixture of Y/Mg with a ratio of 0.74/0.26.

Figure 3 Representation of the atomic coordinates (as spheres), the occupancies (as colored fractions of spheres, with white meaning unoccupied) and the calculated electron-density isosurfaces in the refined structure of the Y-Cd-Mg 2/1 cAP. (a) shell structures in the RTH unit. (b) structure of the DFP unit. (c) electron-density isosurfaces at Y6 and M27 as obtained from the maximum entropy method. The electron-density isosurfaces were drawn at the 5 e^−Å^−3 level.

For the Er-Cd-Mg 2/1 cAP, the structure refinement converged with reliability indexes of R1 = 0.0560, wR2 = 0.1335 and S = 1.209. Here, large residual electron densities were observed with a maximum of 4.10 e⁻ Å⁻³ inside the second dodecahedron shell, which led to Alert level A in checkCIF. Whereas the structure refinement is still in progress, at the current stage, the refined structure exhibits partial mixings of Mg in the Er3 site belonging to the third icosahedron shell of the RTH unit and in the diagonal positions (Er5) of the DFP unit. These observations suggest that the crystal structure is similar to that of the Y-Cd-Mg 2/1 cAP.

3.5. Occupational disorder in 1/1 and 2/1 cAPs

In a recent study, one of the present authors analyzed the site preferences of Mg atoms in ternary Yb-Cd-Mg iQC and 1/1 cAP. He showed that the atomic sites that are preferentially occupied by Mg have fewer Yb atoms in the first coordination shell (Yamada et al., 2017). Below, the refined structures of the Y-Cd-Mg 2/1 and 1/1 cAPs are examined from a similar point of view.

The coordination number, CN, the number of Y sites in the first coordination shell, CN(Y), the total site occupancies of individual elements in the first coordination shell, N(Y), N(Cd) and N(Mg), and the mixing ratios of Y/Cd/Mg for each atomic site in the Y-Cd-Mg 1/1 and 2/1 cAPs are provided in Tables 2 and 3, respectively. By definition, there is an equality, CN = N(Y)+N(Cd)+N(Mg). Here, CN of each of the atomic sites was determined from the Voronoi tessellation of a modified structure in which split sites with the same number label in the refined structure were merged into a single site by averaging according to their SOFs as the weighting coefficients. Note that some sites in the 1/1 AP exhibit non-integer values of CN in Table 2 since these include M7 site with the SOF being 1/6 in their first coordination shell. In addition, the CN in Table 3 was calculated by assuming that the SOF of M27 in the 2/1 AP equals to 1.

Table 2
Coordinate number (CN), number of constituent atoms in the CN, N(Y), N(Cd) N(Mg), atomic occupations in the atomic structures of the Y-Cd-Mg 1/1 cAP

Sites indicated by * and † are common to vertices and edge centres of the RTH shell, respectively.

Shell	Site	CN	CN(Y)	N(Y)	N(Cd)	N(Mg)	Y/Cd/Mg
Dodecahedron	M2	9.33	3	3	4.70	1.64	0/0.95/0.05
	M4^*	13.17	3	3	9.06	1.10	0/0.79/0.21
Icosahedron	Y1	16.33	0	0	13.31	3.03	1/0/0
Icosidodecahedron	M3^†	11	3	3	5.79	2.21	0/0.90/0.10
	M6	8	2	2	3.48	2.52	0/0.13/0.87
RTH	M1	12	3	3	5.40	3.60	0/1/0
	M5	9	2	2	4.37	2.63	0/0.28/0.72

Table 3
Coordinate number (CN), number of Y sites in the CN, CN(Y), number of constituent atoms in the CN, CN(Y), N(Cd), N(Mg) and atomic occupations in the atomic structures of the Y-Cd-Mg 2/1 cAP

Sites indicated by * and † are common to vertices and edge centres of the RTH shell, respectively.

Shell	Site	CN	CN(Y)	N(Y)	N(Cd)	N(Mg)	Y/Cd/Mg
Dodecahedron	M8*	13	3	3.00	8.20	1.80	0/0.87/0.13
	M9	11	3	2.50	4.71	3.80	0/0.95/0.05
	M13	10	3	2.50	4.77	2.73	0/0.88/0.13
	M14	11	3	2.50	5.25	3.25	0/0.82/0.18
	M15*	13	3	2.50	7.84	2.56	0/0.78/0.22
	M16*	14	3	3.00	8.51	2.49	0/0.82/0.19
	M19	11	3	2.50	5.61	2.89	0/0.72/0.29
	M21	12	3	3.00	6.61	2.39	0/0.60/0.40
Icosahedron	Y1	17	0	0	13.36	3.64	1/0/0
	Y2	16	0	0	12.51	3.50	1/0/0
	Y3	16	0	0	11.38	4.62	0.50/0/0.50
	Y4	16	0	0	12.07	3.93	1/0/0
Icosidodecahedron	M6†	13	3	3.00	7.37	2.63	0/0.87/0.14
	M7†	13	3	3.00	7.06	2.94	0/0.89/0.11
	M10†	13	3	3.00	7.19	2.81	0/0.84/0.16
	M11†	12	3	3.00	5.98	3.02	0/0.85/0.15
	M12†	13	3	2.50	7.38	3.13	0/0.82/0.18
	M17†	13	3	2.50	7.32	3.19	0/0.75/0.25
	M18†	13	3	2.50	7.35	3.15	0/0.72/0.28
	M20	15	3	2.24	8.15	4.62	0/0.49/0.51
	M22	15	2	1.50	9.03	4.47	0/0.31/0.69
	M25	15	2	1.50	9.29	4.21	0/0.15/0.85
Edge centre of RTH	M1	12	3	2.00	4.77	5.23	0/1/0
	M2	12	3	3.00	5.09	3.91	0/1/0
	M3	12	3	3.00	5.14	3.86	0/0.98/0.03
	M4	12	3	1.74	4.64	5.63	0/0.97/0.03
	M5	12	4	3.47	4.95	3.58	0/0.94/0.06
Vertices of RTH	M23	13	2	1.74	7.90	3.36	0/0.20/0.80
	M24	12	2	2.00	7.66	2.34	0/0.16/0.84
	M26	12	3	1.50	8.39	2.11	0/0.06/0.94
Two sites inside DFP	Y5	16	1	0.74	10.64	4.62	0.74/0/0.26

As seen in Table 2, the CN(Y)s of the M1–M6 sites in the Y-Cd-Mg 1/1 cAP are either 2 or 3. Note that the M5 and M6 sites whose CN(Y) is equal to 2 are preferentially occupied by Mg, while the other sites whose CN(Y) is equal to 3 are preferentially occupied by Cd. Such a selective occupation rule is in common with the Yb_13.3Cd_70.3Mg_16.5 1/1 cAP (Yamada et al., 2017).

In the Y-Cd-Mg 2/1 cAP, CN(Y) and N(Y) can take different values because of the mixing of Y and Mg at Y3 and Y6. In the following, we examine how the Mg occupancies at M1–M26 are correlated with the values of CN(Y) and N(Y). Fig. 4(a) plots the relative Mg occupancies against CN(Y) for each of the M1–M26 sites in the Y-Cd-Mg 2/1 cAP. Observe that the CN(Y) values range from 2 to 4 and that Mg atoms preferentially occupy the sites where CN(Y) is equal to 2. Besides, the M26 site with CN(Y) being 3 may appear exceptionally selective for Mg. Yet, since three Y3 positions occupied by mixtures of Y and Mg are included in the first coordination shell of M26, the actual number of Y atoms around M26 is only 1.5 on average. In Fig. 4(b), the relative Mg occupancies are plotted against the average number of Y atoms, N(Y), in the first coordination shell for each of the M1–M26 sites in the Y-Cd-Mg 2/1 cAP. With the values of N(Y) ranging from 1.50 to 3.47, a decreasing trend in the Mg occupancy as a function of N(Y) is evident. It turns out that M26 closely follows this trend and so does M20, whose Mg occupancy equals to 0.51 at N(Y) = 2.24 lying in the middle of the data range. Similar observations in the case of the Er-Cd-Mg 2/1 cAP are presented in supporting information. The correlation between the site selectivity of Mg and the local arrangement of R atoms demands future explanation based on electronic structure calculations. In fact, the site selectivity of Mg appears to be affected not only by the R population but also by the relative population of Cd/Mg in the first coordination shell. The obvious deviation of M1 and M4 from the linear trend in the plot can be attributed to the high Mg population in the first coordination shell. Note that both the latter sites correspond to mid-edge positions of the RTH shell and are preferentially occupied by Cd despite that their N(Y) are lower than 2.

Figure 4 Correlations between Mg occupancy and local environment for M1–M26 in the Y-Cd-Mg 2/1 cAP. The occupation ratio of Mg is plotted against (a) CN(Y) and (b) N(Y). A few of the data points are marked by their site labels.

Let us now turn our attention to the local coordination of each of the Y sites (except the fractionally occupied cluster centre, Y6) in the Y-Cd-Mg 2/1 cAP. Fig. 5(a) shows Y sites belonging to the third icosahedron shells (Y1–Y4) of three RTH units as well as the diagonal positions (Y5) of a DFP unit arranged around the [111] axis. The distribution of Y–Y distances up to 10 Å is presented in Fig. 5(b). The CN value of each of the Y1–Y5 sites in the 2/1 cAP is either 16 or 17 as shown in Table 3. Y3 and Y5 are the only mixed sites occupied by Y and Mg. We note that the following observations differentiate these mixed sites from the other pure Y sites. First, the distance between the two diagonal positions of DFP, Y5–Y5, is the shortest (3.46 Å) among the Y–Y distances in the structure. Second, three Y3 positions from different RTH units lie close to a Y5 site, as seen in Fig. 5(a), with the Y3–Y5 distance being 5.59 Å, giving the second shortest Y–Y distance. One can also notice that, apart from the short Y-Y distances, the first coordination shells of these Y sites are much richer in Mg [with N(Mg) = 4.62 as listed in Table 3] than those of the other Y sites.

Figure 5 Positions and distribution of atomic distances for Y sites in the refined structure. (a) Selected positions of Y1–Y6 in the unit cell projected along a threefold axis parallel to [111]. An icosahedral shell (Y1–Y4) centered at Y6 is drawn together with their associates related by threefold rotations around the [111] axis passing through Y5. (b) Distribution of Y–Y atomic distances up to 10 Å. Y–Y pairs which contains (Y5) are emphasized in red. (c) Average structure and (d) eight different arrangements at Y3 and Y5 sites.

Fig. 5(c) shows a local configuration of the Y5 site with its nearest three Y3 sites, in which eight symmetrically unique arrangements of Y and Mg atoms are allowed as shown in Fig. 5(d). The average compositions of the two sites are given as a weighted average (with a total weight of unity) of these eight distinct arrangements. However, given that the mixing ratios of Y/Mg are approximately 1/1 and 3/1 at Y3 and Y5, respectively, only three degrees of freedom can be fixed leaving five free parameters for the weighting. As a compromise, one may tentatively assume that the configurations, d-2, d-3 and d-6, in Fig. 5(d) are the only allowed configurations, as they give relatively even mixing between Y and Mg. Then the weights would be determined as 1/4, 1/2 and 1/4 for d-2, d-3 and d-6, respectively. Note that this is only one of the possibilities, while we find no further clue in the diffraction data (e.g. in diffuse scatterings) as to the local atomic correlations.

4. Conclusion

The atomic structure of the two 2/1 cAPs in the ternary Y-Cd-Mg and Er-Cd-Mg systems, and the 1/1 cAP in the Y-Cd-Mg system was investigated by X-ray single-crystal analysis. The resulting atomic structures have been discussed with an emphasis on positional and occupational disorders.

The atomic structure of the Y-Cd-Mg 1/1 cAP was found to be isostructural to the parent binary YCd₆ 1/1 cAP which consists of the RTH unit. The structure analysis revealed that the M5 site on the fourth icosidodecahedron and the M6 site on the fifth RTH shell are preferentially occupied by Mg, while the M1–M4 are preferentially occupied by Cd. This selective Mg occupation is similar to that reported in the Yb_13.3Cd_70.3Mg_16.5 1/1 cAP. A difference between these two average atomic structures was found in the type of positional disorder in the first tetrahedron shell. The influence of the latter on a positional disorder in the outer part of the RTH unit was explained in terms of the push-pull mechanism.

The atomic structure of the Y-Cd-Mg 2/1 cAP was found to be isostructural to the parent binary YbCd_5.8 2/1 cAP which consists of the RTH and DFP units. We found a preferential occupation of Mg at the M22 and M25 sites on the fourth icosidodecahedron shell locating on the b linkages and the vertex sites of the fifth RTH shell, with exceptions of the M15 and M16 sites. Furthermore, the resulting structure exhibits a partial Mg substitution in the Y3 site on the third icosahedron shell and one in the Y5 site lying on the long diagonal of DFP. In addition to the above occupational disorder, we found a significant number of split sites in the average structure presenting positional disorder.

Finally, the site selectivity of the constituting elements found in the 1/1 and 2/1 cAPs was analyzed based on the coordination number (CN). In particular, we found an important correlation between the Mg occupancy of an individual site and the number of R atoms included in the first coordinating shell, which is in common with Yb-Cd-Mg iQC and 1/1 cAP.

Supporting information

Computing details

For both structures, data collection: CrysAlis PRO 1.171.39.46 (Rigaku Oxford Diffraction, 2018); cell refinement: CrysAlis PRO 1.171.39.46 (Rigaku Oxford Diffraction, 2018); data reduction: CrysAlis PRO 1.171.39.46 (Rigaku Oxford Diffraction, 2018); program(s) used to solve structure: SUPERFLIP (Palatinus and Chapuis, 2007); program(s) used to refine structure: SHELXL2016/6 (Sheldrick, 2016).

(YCdMg-1-1-cAP)

Crystal data

Cd109.89Mg35.29Y24	Mo Kα radiation, λ = 0.71073 Å
Mr = 15344.63	Cell parameters from 46925 reflections
Cubic, Im3	θ = 2.6–43.8°
a = 15.4577 (1) Å	µ = 25.01 mm^−1
V = 3693.47 (3) Å^3	T = 100 K
Z = 1	Prism, metallic
F(000) = 6660	0.08 × 0.08 × 0.07 mm
Dx = 6.899 Mg m^−3

Data collection

MicroMax007HF - Saturn 724 HG diffractometer	2562 reflections with I > 2σ(I)
Radiation source: fine-focus sealed X-ray tube, Enhance (Mo) X-ray Source	Rint = 0.029
ω scans	θmax = 43.9°, θmin = 2.6°
Absorption correction: multi-scan CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	h = −30→30
Tmin = 0.505, Tmax = 1.000	k = −30→30
64031 measured reflections	l = −29→30
2579 independent reflections

Refinement

Refinement on F^2	76 parameters
Least-squares matrix: full	0 restraints
R[F^2 > 2σ(F^2)] = 0.022	w = 1/[σ^2(Fo^2) + (0.0144P)^2 + 31.4293P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.051	(Δ/σ)max = 0.001
S = 1.25	Δρmax = 2.37 e Å^−3
2579 reflections	Δρmin = −1.36 e Å^−3

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.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Y1	0.19045 (2)	0.29796 (2)	0.000000	0.00782 (4)
Cd1	0.40568 (2)	0.34344 (2)	0.000000	0.00780 (3)
Cd2A	0.41105 (9)	0.500000	−0.2671 (2)	0.0144 (2)	0.589 (10)
Mg2A	0.41105 (9)	0.500000	−0.2671 (2)	0.0144 (2)	0.0327 (6)
Cd2B	0.500000	0.7586 (3)	0.59679 (10)	0.0114 (4)	0.358 (10)
Mg2B	0.500000	0.7586 (3)	0.59679 (10)	0.0114 (4)	0.0199 (6)
Cd3A	0.30564 (16)	0.3895 (2)	−0.15487 (8)	0.0124 (2)	0.526 (15)
Mg3A	0.30564 (16)	0.3895 (2)	−0.15487 (8)	0.0124 (2)	0.0601 (17)
Cd3B	0.3384 (2)	0.20347 (17)	0.1270 (4)	0.0155 (3)	0.372 (15)
Mg3B	0.3384 (2)	0.20347 (17)	0.1270 (4)	0.0155 (3)	0.0425 (17)
Cd4A	0.33261 (5)	0.33261 (5)	−0.33261 (5)	0.0175 (3)	0.3840 (14)
Cd4B	0.34752 (6)	0.34752 (6)	−0.34752 (6)	0.0203 (3)	0.4088 (14)
Mg4A	0.33261 (5)	0.33261 (5)	−0.33261 (5)	0.0175 (3)	0.1004 (14)
Mg4B	0.34752 (6)	0.34752 (6)	−0.34752 (6)	0.0203 (3)	0.1069 (14)
Cd5	0.48686 (7)	0.500000	−0.09465 (6)	0.0124 (3)	0.1383 (16)
Mg5	0.48686 (7)	0.500000	−0.09465 (6)	0.0124 (3)	0.3617 (16)
Cd6	0.31342 (7)	0.500000	0.000000	0.0173 (3)	0.128 (3)
Mg6	0.31342 (7)	0.500000	0.000000	0.0173 (3)	0.872 (3)
Cd7A	0.5401 (6)	0.5591 (6)	−0.4087 (5)	0.0235 (9)*	0.0218 (7)
Mg7A	0.5401 (6)	0.5591 (6)	−0.4087 (5)	0.0235 (9)*	0.0574 (17)
Cd7B	0.5436 (5)	0.5889 (5)	−0.4334 (7)	0.0235 (9)*	0.0218 (7)
Mg7B	0.5436 (5)	0.5889 (5)	−0.4334 (7)	0.0235 (9)*	0.0574 (18)
Cd7C	0.500000	0.5762 (8)	−0.4197 (8)	0.0235 (9)*	0.0178 (8)
Mg7C	0.500000	0.5762 (8)	−0.4197 (8)	0.0235 (9)*	0.047 (2)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Y1	0.00759 (8)	0.00862 (8)	0.00725 (8)	0.00031 (7)	0.000	0.000
Cd1	0.00697 (6)	0.00741 (6)	0.00902 (6)	0.00021 (4)	0.000	0.000
Cd2A	0.00937 (17)	0.01190 (15)	0.0218 (7)	0.000	−0.0046 (3)	0.000
Mg2A	0.00937 (17)	0.01190 (15)	0.0218 (7)	0.000	−0.0046 (3)	0.000
Cd2B	0.0082 (2)	0.0190 (9)	0.0071 (2)	0.000	0.000	0.0025 (3)
Mg2B	0.0082 (2)	0.0190 (9)	0.0071 (2)	0.000	0.000	0.0025 (3)
Cd3A	0.0099 (3)	0.0153 (4)	0.01212 (16)	0.0045 (2)	0.00213 (14)	0.00363 (19)
Mg3A	0.0099 (3)	0.0153 (4)	0.01212 (16)	0.0045 (2)	0.00213 (14)	0.00363 (19)
Cd3B	0.0158 (4)	0.0100 (3)	0.0208 (8)	−0.0018 (3)	−0.0080 (5)	0.0030 (4)
Mg3B	0.0158 (4)	0.0100 (3)	0.0208 (8)	−0.0018 (3)	−0.0080 (5)	0.0030 (4)
Cd4A	0.0175 (3)	0.0175 (3)	0.0175 (3)	0.0102 (2)	−0.0102 (2)	−0.0102 (2)
Cd4B	0.0203 (3)	0.0203 (3)	0.0203 (3)	0.0138 (3)	−0.0138 (3)	−0.0138 (3)
Mg4A	0.0175 (3)	0.0175 (3)	0.0175 (3)	0.0102 (2)	−0.0102 (2)	−0.0102 (2)
Mg4B	0.0203 (3)	0.0203 (3)	0.0203 (3)	0.0138 (3)	−0.0138 (3)	−0.0138 (3)
Cd5	0.0198 (8)	0.0085 (3)	0.0089 (3)	0.000	0.0024 (3)	0.000
Mg5	0.0198 (8)	0.0085 (3)	0.0089 (3)	0.000	0.0024 (3)	0.000
Cd6	0.0068 (4)	0.0108 (4)	0.0344 (7)	0.000	0.000	0.000
Mg6	0.0068 (4)	0.0108 (4)	0.0344 (7)	0.000	0.000	0.000

Geometric parameters (Å, º)

Y1—Cd3B^i	3.2055 (18)	Cd3A—Cd4A	2.9149 (17)
Y1—Cd3B^ii	3.2055 (18)	Cd3A—Cd6	2.943 (3)
Y1—Cd2B^iii	3.2829 (10)	Cd3A—Cd3B^vii	2.952 (6)
Y1—Cd2A^iv	3.2968 (8)	Cd3A—Cd3B^xxvi	2.969 (8)
Y1—Cd4A^v	3.3008 (2)	Cd3B—Cd3B^i	2.752 (9)
Y1—Cd4A^vi	3.3008 (2)	Cd3B—Cd3B^ix	2.752 (9)
Y1—Cd3A	3.302 (2)	Cd3B—Cd4A^vi	2.772 (4)
Y1—Cd3A^vii	3.302 (2)	Cd3B—Cd4B^vi	3.006 (4)
Y1—Cd4B^v	3.3101 (2)	Cd3B—Cd6^ix	3.188 (7)
Y1—Cd4B^vi	3.3101 (2)	Cd4A—Cd7B^xiii	2.750 (7)
Y1—Cd3A^viii	3.3296 (13)	Cd4A—Cd7B^xv	2.750 (7)
Cd1—Cd6	2.8090 (6)	Cd4A—Cd7B^xxvii	2.750 (7)
Cd1—Cd6^ix	2.8293 (9)	Cd4A—Cd7A^xv	2.839 (8)
Cd1—Cd1^x	2.9158 (3)	Cd4A—Cd7A^xiii	2.839 (8)
Cd1—Cd3A	2.9376 (15)	Cd4A—Cd7A^xxvii	2.839 (8)
Cd1—Cd3A^vii	2.9377 (15)	Cd4B—Cd7B^xiii	2.358 (7)
Cd1—Cd3A^xi	3.0171 (10)	Cd4B—Cd7B^xv	2.358 (7)
Cd1—Cd3A^iv	3.0171 (10)	Cd4B—Cd7B^xxvii	2.358 (7)
Cd1—Cd3B^ii	3.049 (3)	Cd4B—Cd7A^xv	2.449 (8)
Cd1—Cd3B^i	3.049 (3)	Cd4B—Cd7A^xiii	2.449 (8)
Cd1—Cd5	3.0938 (6)	Cd4B—Cd7A^xxvii	2.449 (8)
Cd2A—Cd2B^xii	0.4146 (16)	Cd4B—Cd7C^xv	2.862 (7)
Cd2A—Cd7B^xiii	2.352 (8)	Cd4B—Cd7C^xiv	2.862 (7)
Cd2A—Cd7B^xiv	2.352 (8)	Cd5—Cd5^xv	0.406 (2)
Cd2A—Cd7C^xiv	2.426 (13)	Cd5—Cd5^vii	2.9261 (18)
Cd2A—Cd7A^xv	2.489 (10)	Cd5—Cd5^xxviii	2.9542 (19)
Cd2A—Cd7A^xvi	2.489 (10)	Cd5—Cd6	3.0542 (14)
Cd2A—Cd2A^xv	2.750 (3)	Cd7A—Cd7B^xxix	0.476 (8)
Cd2A—Cd7A^xiii	2.758 (10)	Cd7A—Cd7B	0.602 (8)
Cd2A—Cd7A^xiv	2.758 (10)	Cd7A—Cd7C	0.695 (11)
Cd2A—Cd4B^xvii	2.8400 (13)	Cd7A—Cd7A^xxix	0.981 (14)
Cd2A—Cd4B	2.8400 (13)	Cd7A—Cd7A^xxx	0.981 (14)
Cd2B—Cd5^xviii	2.612 (4)	Cd7A—Cd7B^xxx	1.061 (8)
Cd2B—Cd3A^xviii	2.642 (4)	Cd7A—Cd7C^xxix	1.129 (12)
Cd2B—Cd3A^xix	2.642 (4)	Cd7A—Cd7A^xvi	1.239 (19)
Cd2B—Cd7B^xx	2.748 (9)	Cd7A—Cd7B^xvi	1.426 (8)
Cd2B—Cd7B^xxi	2.748 (9)	Cd7A—Cd7C^xxx	1.553 (9)
Cd2B—Cd7C^xxi	2.830 (13)	Cd7B—Cd7C	0.734 (10)
Cd2B—Cd5^xxii	2.835 (3)	Cd7B—Cd7B^xxix	0.857 (13)
Cd2B—Cd3B^xxiii	2.845 (5)	Cd7B—Cd7B^xxx	0.857 (13)
Cd2B—Cd3B^xxiv	2.845 (5)	Cd7B—Cd7C^xxx	1.154 (11)
Cd2B—Cd7A^xxv	2.878 (10)	Cd7B—Cd7B^xvi	1.349 (16)
Cd2B—Cd7A^xxii	2.878 (10)	Cd7B—Cd7C^xxix	1.494 (9)
Cd3A—Cd3B^ii	0.310 (4)
Cd3B^i—Y1—Cd3B^ii	102.4 (2)	Cd7B^xxvii—Cd4A—Cd3B^xxxiii	125.5 (3)
Cd3B^i—Y1—Cd2B^iii	100.29 (11)	Cd3B^xxxii—Cd4A—Cd3B^xxxiii	93.91 (18)
Cd3B^ii—Y1—Cd2B^iii	100.29 (11)	Cd3B^ii—Cd4A—Cd3B^xxxiii	93.91 (18)
Cd3B^i—Y1—Cd2A^iv	104.64 (11)	Cd7B^xiii—Cd4A—Cd7A^xv	9.59 (17)
Cd3B^ii—Y1—Cd2A^iv	104.64 (11)	Cd7B^xv—Cd4A—Cd7A^xv	12.22 (16)
Cd2B^iii—Y1—Cd2A^iv	7.22 (3)	Cd7B^xxvii—Cd4A—Cd7A^xv	21.82 (16)
Cd3B^i—Y1—Cd4A^v	152.55 (4)	Cd3B^xxxii—Cd4A—Cd7A^xv	133.3 (2)
Cd3B^ii—Y1—Cd4A^v	70.46 (13)	Cd3B^ii—Cd4A—Cd7A^xv	113.7 (2)
Cd2B^iii—Y1—Cd4A^v	57.01 (3)	Cd3B^xxxiii—Cd4A—Cd7A^xv	119.3 (3)
Cd2A^iv—Y1—Cd4A^v	54.71 (2)	Cd7B^xiii—Cd4A—Cd7A^xiii	12.22 (16)
Cd3B^i—Y1—Cd4A^vi	70.46 (13)	Cd7B^xv—Cd4A—Cd7A^xiii	21.82 (16)
Cd3B^ii—Y1—Cd4A^vi	152.55 (4)	Cd7B^xxvii—Cd4A—Cd7A^xiii	9.59 (17)
Cd2B^iii—Y1—Cd4A^vi	57.01 (3)	Cd3B^xxxii—Cd4A—Cd7A^xiii	113.7 (2)
Cd2A^iv—Y1—Cd4A^vi	54.71 (2)	Cd3B^ii—Cd4A—Cd7A^xiii	119.3 (3)
Cd4A^v—Y1—Cd4A^vi	103.24 (4)	Cd3B^xxxiii—Cd4A—Cd7A^xiii	133.3 (2)
Cd3B^i—Y1—Cd3A	97.71 (17)	Cd7A^xv—Cd4A—Cd7A^xiii	19.9 (3)
Cd3B^ii—Y1—Cd3A	5.19 (8)	Cd7B^xiii—Cd4A—Cd7A^xxvii	21.82 (16)
Cd2B^iii—Y1—Cd3A	103.48 (7)	Cd7B^xv—Cd4A—Cd7A^xxvii	9.59 (17)
Cd2A^iv—Y1—Cd3A	108.22 (5)	Cd7B^xxvii—Cd4A—Cd7A^xxvii	12.22 (16)
Cd4A^v—Y1—Cd3A	75.64 (6)	Cd3B^xxxii—Cd4A—Cd7A^xxvii	119.3 (3)
Cd4A^vi—Y1—Cd3A	152.70 (2)	Cd3B^ii—Cd4A—Cd7A^xxvii	133.3 (2)
Cd3B^i—Y1—Cd3A^vii	5.19 (8)	Cd3B^xxxiii—Cd4A—Cd7A^xxvii	113.7 (2)
Cd3B^ii—Y1—Cd3A^vii	97.71 (17)	Cd7A^xv—Cd4A—Cd7A^xxvii	19.9 (3)
Cd2B^iii—Y1—Cd3A^vii	103.48 (7)	Cd7A^xiii—Cd4A—Cd7A^xxvii	19.9 (3)
Cd2A^iv—Y1—Cd3A^vii	108.22 (5)	Cd7B^xiii—Cd4A—Cd3A^xxxiv	120.0 (2)
Cd4A^v—Y1—Cd3A^vii	152.70 (2)	Cd7B^xv—Cd4A—Cd3A^xxxiv	123.2 (2)
Cd4A^vi—Y1—Cd3A^vii	75.64 (6)	Cd7B^xxvii—Cd4A—Cd3A^xxxiv	106.68 (17)
Cd3A—Y1—Cd3A^vii	92.93 (11)	Cd3B^xxxii—Cd4A—Cd3A^xxxiv	5.55 (6)
Cd3B^i—Y1—Cd4B^v	153.06 (7)	Cd3B^ii—Cd4A—Cd3A^xxxiv	97.49 (12)
Cd3B^ii—Y1—Cd4B^v	77.38 (13)	Cd3B^xxxiii—Cd4A—Cd3A^xxxiv	97.85 (15)
Cd2B^iii—Y1—Cd4B^v	54.08 (4)	Cd7A^xv—Cd4A—Cd3A^xxxiv	127.8 (2)
Cd2A^iv—Y1—Cd4B^v	50.92 (3)	Cd7A^xiii—Cd4A—Cd3A^xxxiv	108.15 (19)
Cd4A^v—Y1—Cd4B^v	6.92 (4)	Cd7A^xxvii—Cd4A—Cd3A^xxxiv	114.0 (2)
Cd4A^vi—Y1—Cd4B^v	97.10 (3)	Cd7B^xiii—Cd4A—Cd3A^xxxv	123.2 (2)
Cd3A—Y1—Cd4B^v	82.57 (6)	Cd7B^xv—Cd4A—Cd3A^xxxv	106.68 (18)
Cd3A^vii—Y1—Cd4B^v	154.56 (2)	Cd7B^xxvii—Cd4A—Cd3A^xxxv	120.0 (2)
Cd3B^i—Y1—Cd4B^vi	77.38 (13)	Cd3B^xxxii—Cd4A—Cd3A^xxxv	97.49 (12)
Cd3B^ii—Y1—Cd4B^vi	153.06 (7)	Cd3B^ii—Cd4A—Cd3A^xxxv	97.85 (15)
Cd2B^iii—Y1—Cd4B^vi	54.08 (4)	Cd3B^xxxiii—Cd4A—Cd3A^xxxv	5.55 (6)
Cd2A^iv—Y1—Cd4B^vi	50.92 (3)	Cd7A^xv—Cd4A—Cd3A^xxxv	114.0 (2)
Cd4A^v—Y1—Cd4B^vi	97.10 (3)	Cd7A^xiii—Cd4A—Cd3A^xxxv	127.8 (2)
Cd4A^vi—Y1—Cd4B^vi	6.92 (4)	Cd7A^xxvii—Cd4A—Cd3A^xxxv	108.15 (19)
Cd3A—Y1—Cd4B^vi	154.56 (2)	Cd3A^xxxiv—Cd4A—Cd3A^xxxv	101.12 (9)
Cd3A^vii—Y1—Cd4B^vi	82.57 (6)	Cd7B^xiii—Cd4A—Cd3A	106.68 (18)
Cd4B^v—Y1—Cd4B^vi	90.80 (5)	Cd7B^xv—Cd4A—Cd3A	120.0 (2)
Cd3B^i—Y1—Cd3A^viii	144.48 (13)	Cd7B^xxvii—Cd4A—Cd3A	123.2 (2)
Cd3B^ii—Y1—Cd3A^viii	53.66 (12)	Cd3B^xxxii—Cd4A—Cd3A	97.85 (15)
Cd2B^iii—Y1—Cd3A^viii	109.06 (5)	Cd3B^ii—Cd4A—Cd3A	5.55 (6)
Cd2A^iv—Y1—Cd3A^viii	106.77 (4)	Cd3B^xxxiii—Cd4A—Cd3A	97.49 (12)
Cd4A^v—Y1—Cd3A^viii	52.16 (4)	Cd7A^xv—Cd4A—Cd3A	108.15 (19)
Cd4A^vi—Y1—Cd3A^viii	143.24 (4)	Cd7A^xiii—Cd4A—Cd3A	114.0 (2)
Cd3A—Y1—Cd3A^viii	56.78 (9)	Cd7A^xxvii—Cd4A—Cd3A	127.8 (2)
Cd3A^vii—Y1—Cd3A^viii	139.50 (5)	Cd3A^xxxiv—Cd4A—Cd3A	101.12 (9)
Cd4B^v—Y1—Cd3A^viii	55.97 (3)	Cd3A^xxxv—Cd4A—Cd3A	101.12 (9)
Cd4B^vi—Y1—Cd3A^viii	136.51 (4)	Cd7B^xiii—Cd4B—Cd7B^xv	20.9 (3)
Cd6—Cd1—Cd6^ix	179.496 (10)	Cd7B^xiii—Cd4B—Cd7B^xxvii	20.9 (3)
Cd6—Cd1—Cd1^x	120.513 (19)	Cd7B^xv—Cd4B—Cd7B^xxvii	20.9 (3)
Cd6^ix—Cd1—Cd1^x	58.983 (12)	Cd7B^xiii—Cd4B—Cd7A^xv	11.15 (19)
Cd6—Cd1—Cd3A	61.56 (5)	Cd7B^xv—Cd4B—Cd7A^xv	14.22 (19)
Cd6^ix—Cd1—Cd3A	118.62 (4)	Cd7B^xxvii—Cd4B—Cd7A^xv	25.42 (19)
Cd1^x—Cd1—Cd3A	121.77 (5)	Cd7B^xiii—Cd4B—Cd7A^xiii	14.22 (19)
Cd6—Cd1—Cd3A^vii	61.56 (5)	Cd7B^xv—Cd4B—Cd7A^xiii	25.42 (19)
Cd6^ix—Cd1—Cd3A^vii	118.62 (4)	Cd7B^xxvii—Cd4B—Cd7A^xiii	11.15 (19)
Cd1^x—Cd1—Cd3A^vii	121.76 (5)	Cd7A^xv—Cd4B—Cd7A^xiii	23.1 (3)
Cd3A—Cd1—Cd3A^vii	109.16 (4)	Cd7B^xiii—Cd4B—Cd7A^xxvii	25.42 (19)
Cd6—Cd1—Cd3A^xi	120.03 (6)	Cd7B^xv—Cd4B—Cd7A^xxvii	11.15 (19)
Cd6^ix—Cd1—Cd3A^xi	60.35 (6)	Cd7B^xxvii—Cd4B—Cd7A^xxvii	14.22 (19)
Cd1^x—Cd1—Cd3A^xi	108.07 (2)	Cd7A^xv—Cd4B—Cd7A^xxvii	23.1 (3)
Cd3A—Cd1—Cd3A^xi	63.94 (14)	Cd7A^xiii—Cd4B—Cd7A^xxvii	23.1 (3)
Cd3A^vii—Cd1—Cd3A^xi	118.89 (4)	Cd7B^xiii—Cd4B—Cd2A	52.8 (2)
Cd6—Cd1—Cd3A^iv	120.03 (6)	Cd7B^xv—Cd4B—Cd2A	69.7 (3)
Cd6^ix—Cd1—Cd3A^iv	60.35 (6)	Cd7B^xxvii—Cd4B—Cd2A	72.6 (3)
Cd1^x—Cd1—Cd3A^iv	108.07 (2)	Cd7A^xv—Cd4B—Cd2A	55.5 (2)
Cd3A—Cd1—Cd3A^iv	118.89 (4)	Cd7A^xiii—Cd4B—Cd2A	62.3 (3)
Cd3A^vii—Cd1—Cd3A^iv	63.94 (14)	Cd7A^xxvii—Cd4B—Cd2A	77.7 (2)
Cd3A^xi—Cd1—Cd3A^iv	68.95 (14)	Cd7B^xiii—Cd4B—Cd2A^xiv	69.7 (3)
Cd6—Cd1—Cd3B^ii	65.80 (11)	Cd7B^xv—Cd4B—Cd2A^xiv	72.6 (3)
Cd6^ix—Cd1—Cd3B^ii	114.42 (11)	Cd7B^xxvii—Cd4B—Cd2A^xiv	52.8 (2)
Cd1^x—Cd1—Cd3B^ii	123.60 (3)	Cd7A^xv—Cd4B—Cd2A^xiv	77.7 (2)
Cd3A—Cd1—Cd3B^ii	5.54 (6)	Cd7A^xiii—Cd4B—Cd2A^xiv	55.6 (2)
Cd3A^vii—Cd1—Cd3B^ii	109.88 (3)	Cd7A^xxvii—Cd4B—Cd2A^xiv	62.3 (3)
Cd3A^xi—Cd1—Cd3B^ii	58.6 (2)	Cd2A—Cd4B—Cd2A^xiv	103.16 (9)
Cd3A^iv—Cd1—Cd3B^ii	113.98 (7)	Cd7B^xiii—Cd4B—Cd2A^xxxvi	72.6 (3)
Cd6—Cd1—Cd3B^i	65.80 (11)	Cd7B^xv—Cd4B—Cd2A^xxxvi	52.8 (2)
Cd6^ix—Cd1—Cd3B^i	114.42 (11)	Cd7B^xxvii—Cd4B—Cd2A^xxxvi	69.7 (3)
Cd1^x—Cd1—Cd3B^i	123.60 (3)	Cd7A^xv—Cd4B—Cd2A^xxxvi	62.3 (3)
Cd3A—Cd1—Cd3B^i	109.88 (3)	Cd7A^xiii—Cd4B—Cd2A^xxxvi	77.7 (2)
Cd3A^vii—Cd1—Cd3B^i	5.54 (6)	Cd7A^xxvii—Cd4B—Cd2A^xxxvi	55.6 (2)
Cd3A^xi—Cd1—Cd3B^i	113.98 (7)	Cd2A—Cd4B—Cd2A^xxxvi	103.16 (9)
Cd3A^iv—Cd1—Cd3B^i	58.6 (2)	Cd2A^xiv—Cd4B—Cd2A^xxxvi	103.16 (9)
Cd3B^ii—Cd1—Cd3B^i	110.04 (8)	Cd7B^xiii—Cd4B—Cd7C^xv	23.0 (3)
Cd6—Cd1—Cd5	62.10 (2)	Cd7B^xv—Cd4B—Cd7C^xv	11.8 (3)
Cd6^ix—Cd1—Cd5	117.477 (19)	Cd7B^xxvii—Cd4B—Cd7C^xv	31.4 (3)
Cd1^x—Cd1—Cd5	66.073 (19)	Cd7A^xv—Cd4B—Cd7C^xv	12.1 (3)
Cd3A—Cd1—Cd5	68.81 (7)	Cd7A^xiii—Cd4B—Cd7C^xv	32.9 (3)
Cd3A^vii—Cd1—Cd5	114.16 (7)	Cd7A^xxvii—Cd4B—Cd7C^xv	22.9 (3)
Cd3A^xi—Cd1—Cd5	117.10 (7)	Cd2A—Cd4B—Cd7C^xv	62.9 (3)
Cd3A^iv—Cd1—Cd5	172.29 (4)	Cd2A^xiv—Cd4B—Cd7C^xv	83.9 (2)
Cd3B^ii—Cd1—Cd5	73.73 (10)	Cd2A^xxxvi—Cd4B—Cd7C^xv	50.4 (2)
Cd3B^i—Cd1—Cd5	119.65 (13)	Cd7B^xiii—Cd4B—Cd7C^xiv	11.8 (3)
Cd2B^xii—Cd2A—Cd7B^xiii	161.5 (2)	Cd7B^xv—Cd4B—Cd7C^xiv	31.4 (3)
Cd2B^xii—Cd2A—Cd7B^xiv	161.5 (2)	Cd7B^xxvii—Cd4B—Cd7C^xiv	23.0 (3)
Cd7B^xiii—Cd2A—Cd7B^xiv	33.3 (4)	Cd7A^xv—Cd4B—Cd7C^xiv	22.9 (3)
Cd2B^xii—Cd2A—Cd7C^xiv	166.2 (4)	Cd7A^xiii—Cd4B—Cd7C^xiv	12.1 (3)
Cd7B^xiii—Cd2A—Cd7C^xiv	17.6 (2)	Cd7A^xxvii—Cd4B—Cd7C^xiv	32.9 (3)
Cd7B^xiv—Cd2A—Cd7C^xiv	17.6 (2)	Cd2A—Cd4B—Cd7C^xiv	50.4 (2)
Cd2B^xii—Cd2A—Cd7A^xv	158.4 (2)	Cd2A^xiv—Cd4B—Cd7C^xiv	62.9 (3)
Cd7B^xiii—Cd2A—Cd7A^xv	10.8 (2)	Cd2A^xxxvi—Cd4B—Cd7C^xiv	83.9 (2)
Cd7B^xiv—Cd2A—Cd7A^xv	39.5 (3)	Cd7C^xv—Cd4B—Cd7C^xiv	34.8 (3)
Cd7C^xiv—Cd2A—Cd7A^xv	26.5 (3)	Cd5^xv—Cd5—Cd2B^xii	119.68 (8)
Cd2B^xii—Cd2A—Cd7A^xvi	158.4 (2)	Cd5^xv—Cd5—Cd2B^xxxvii	53.17 (8)
Cd7B^xiii—Cd2A—Cd7A^xvi	39.5 (3)	Cd2B^xii—Cd5—Cd2B^xxxvii	66.51 (16)
Cd7B^xiv—Cd2A—Cd7A^xvi	10.8 (2)	Cd5^xv—Cd5—Cd2A	113.73 (5)
Cd7C^xiv—Cd2A—Cd7A^xvi	26.5 (3)	Cd2B^xii—Cd5—Cd2A	5.95 (4)
Cd7A^xv—Cd2A—Cd7A^xvi	43.0 (4)	Cd2B^xxxvii—Cd5—Cd2A	60.56 (13)
Cd2B^xii—Cd2A—Cd2A^xv	107.0 (2)	Cd5^xv—Cd5—Cd5^vii	90.0
Cd7B^xiii—Cd2A—Cd2A^xv	81.5 (2)	Cd2B^xii—Cd5—Cd5^vii	150.32 (8)
Cd7B^xiv—Cd2A—Cd2A^xv	81.5 (2)	Cd2B^xxxvii—Cd5—Cd5^vii	143.17 (8)
Cd7C^xiv—Cd2A—Cd2A^xv	86.8 (3)	Cd2A—Cd5—Cd5^vii	156.27 (5)
Cd7A^xv—Cd2A—Cd2A^xv	72.3 (2)	Cd5^xv—Cd5—Cd5^xxviii	82.10 (4)
Cd7A^xvi—Cd2A—Cd2A^xv	72.3 (2)	Cd2B^xii—Cd5—Cd5^xxviii	158.23 (10)
Cd2B^xii—Cd2A—Cd7A^xiii	158.1 (2)	Cd2B^xxxvii—Cd5—Cd5^xxviii	135.26 (10)
Cd7B^xiii—Cd2A—Cd7A^xiii	10.0 (3)	Cd2A—Cd5—Cd5^xxviii	164.17 (8)
Cd7B^xiv—Cd2A—Cd7A^xiii	31.1 (2)	Cd5^vii—Cd5—Cd5^xxviii	7.90 (4)
Cd7C^xiv—Cd2A—Cd7A^xiii	13.56 (19)	Cd5^xv—Cd5—Cd6	151.38 (2)
Cd7A^xv—Cd2A—Cd7A^xiii	20.7 (4)	Cd2B^xii—Cd5—Cd6	88.95 (8)
Cd7A^xvi—Cd2A—Cd7A^xiii	39.6 (2)	Cd2B^xxxvii—Cd5—Cd6	155.45 (9)
Cd2A^xv—Cd2A—Cd7A^xiii	90.76 (16)	Cd2A—Cd5—Cd6	94.89 (6)
Cd2B^xii—Cd2A—Cd7A^xiv	158.1 (2)	Cd5^vii—Cd5—Cd6	61.38 (2)
Cd7B^xiii—Cd2A—Cd7A^xiv	31.1 (2)	Cd5^xxviii—Cd5—Cd6	69.28 (4)
Cd7B^xiv—Cd2A—Cd7A^xiv	10.0 (3)	Cd5^xv—Cd5—Cd1^xvii	113.927 (19)
Cd7C^xiv—Cd2A—Cd7A^xiv	13.56 (19)	Cd2B^xii—Cd5—Cd1^xvii	102.13 (5)
Cd7A^xv—Cd2A—Cd7A^xiv	39.6 (2)	Cd2B^xxxvii—Cd5—Cd1^xvii	128.436 (15)
Cd7A^xvi—Cd2A—Cd7A^xiv	20.7 (4)	Cd2A—Cd5—Cd1^xvii	105.65 (4)
Cd2A^xv—Cd2A—Cd7A^xiv	90.76 (16)	Cd5^vii—Cd5—Cd1^xvii	61.777 (16)
Cd7A^xiii—Cd2A—Cd7A^xiv	26.0 (4)	Cd5^xxviii—Cd5—Cd1^xvii	65.63 (2)
Cd2B^xii—Cd2A—Cd4B^xvii	108.51 (14)	Cd6—Cd5—Cd1^xvii	54.370 (16)
Cd7B^xiii—Cd2A—Cd4B^xvii	82.8 (2)	Cd5^xv—Cd5—Cd1	113.928 (19)
Cd7B^xiv—Cd2A—Cd4B^xvii	53.02 (18)	Cd2B^xii—Cd5—Cd1	102.13 (5)
Cd7C^xiv—Cd2A—Cd4B^xvii	65.29 (13)	Cd2B^xxxvii—Cd5—Cd1	128.436 (15)
Cd7A^xv—Cd2A—Cd4B^xvii	91.4 (2)	Cd2A—Cd5—Cd1	105.65 (4)
Cd7A^xvi—Cd2A—Cd4B^xvii	54.24 (18)	Cd5^vii—Cd5—Cd1	61.777 (16)
Cd2A^xv—Cd2A—Cd4B^xvii	110.23 (4)	Cd5^xxviii—Cd5—Cd1	65.63 (2)
Cd7A^xiii—Cd2A—Cd4B^xvii	75.8 (2)	Cd6—Cd5—Cd1	54.370 (16)
Cd7A^xiv—Cd2A—Cd4B^xvii	51.86 (19)	Cd1^xvii—Cd5—Cd1	102.93 (3)
Cd2B^xii—Cd2A—Cd4B	108.51 (14)	Cd5^xv—Cd5—Cd2A^xv	59.37 (6)
Cd7B^xiii—Cd2A—Cd4B	53.02 (18)	Cd2B^xii—Cd5—Cd2A^xv	60.30 (13)
Cd7B^xiv—Cd2A—Cd4B	82.8 (2)	Cd2B^xxxvii—Cd5—Cd2A^xv	6.20 (3)
Cd7C^xiv—Cd2A—Cd4B	65.29 (13)	Cd2A—Cd5—Cd2A^xv	54.36 (10)
Cd7A^xv—Cd2A—Cd4B	54.24 (18)	Cd5^vii—Cd5—Cd2A^xv	149.37 (6)
Cd7A^xvi—Cd2A—Cd4B	91.4 (2)	Cd5^xxviii—Cd5—Cd2A^xv	141.47 (8)
Cd2A^xv—Cd2A—Cd4B	110.23 (4)	Cd6—Cd5—Cd2A^xv	149.25 (6)
Cd7A^xiii—Cd2A—Cd4B	51.86 (19)	Cd1^xvii—Cd5—Cd2A^xv	127.847 (16)
Cd7A^xiv—Cd2A—Cd4B	75.8 (2)	Cd1—Cd5—Cd2A^xv	127.847 (16)
Cd4B^xvii—Cd2A—Cd4B	112.18 (7)	Cd1—Cd6—Cd1^xvii	118.97 (4)
Cd5^xviii—Cd2B—Cd3A^xviii	80.94 (14)	Cd1—Cd6—Cd1^viii	115.794 (13)
Cd5^xviii—Cd2B—Cd3A^xix	80.94 (14)	Cd1^xvii—Cd6—Cd1^viii	115.794 (13)
Cd3A^xviii—Cd2B—Cd3A^xix	80.53 (14)	Cd1—Cd6—Cd1^i	115.794 (13)
Cd5^xviii—Cd2B—Cd7B^xx	138.2 (2)	Cd1^xvii—Cd6—Cd1^i	115.794 (13)
Cd3A^xviii—Cd2B—Cd7B^xx	137.6 (2)	Cd1^viii—Cd6—Cd1^i	62.03 (2)
Cd3A^xix—Cd2B—Cd7B^xx	114.95 (17)	Cd1—Cd6—Cd3A	61.37 (2)
Cd5^xviii—Cd2B—Cd7B^xxi	138.2 (2)	Cd1^xvii—Cd6—Cd3A	121.38 (6)
Cd3A^xviii—Cd2B—Cd7B^xxi	114.95 (17)	Cd1^viii—Cd6—Cd3A	62.99 (4)
Cd3A^xix—Cd2B—Cd7B^xxi	137.6 (3)	Cd1^i—Cd6—Cd3A	112.59 (6)
Cd7B^xx—Cd2B—Cd7B^xxi	28.4 (3)	Cd1—Cd6—Cd3A^xxxviii	121.38 (6)
Cd5^xviii—Cd2B—Cd7C^xxi	145.2 (3)	Cd1^xvii—Cd6—Cd3A^xxxviii	61.37 (2)
Cd3A^xviii—Cd2B—Cd7C^xxi	123.77 (18)	Cd1^viii—Cd6—Cd3A^xxxviii	112.59 (6)
Cd3A^xix—Cd2B—Cd7C^xxi	123.77 (18)	Cd1^i—Cd6—Cd3A^xxxviii	62.99 (4)
Cd7B^xx—Cd2B—Cd7C^xxi	15.0 (2)	Cd3A—Cd6—Cd3A^xxxviii	175.31 (10)
Cd7B^xxi—Cd2B—Cd7C^xxi	15.0 (2)	Cd1—Cd6—Cd3A^xvii	121.38 (6)
Cd5^xviii—Cd2B—Cd5^xxii	7.15 (4)	Cd1^xvii—Cd6—Cd3A^xvii	61.37 (2)
Cd3A^xviii—Cd2B—Cd5^xxii	86.38 (14)	Cd1^viii—Cd6—Cd3A^xvii	62.99 (4)
Cd3A^xix—Cd2B—Cd5^xxii	86.38 (14)	Cd1^i—Cd6—Cd3A^xvii	112.59 (6)
Cd7B^xx—Cd2B—Cd5^xxii	131.5 (2)	Cd3A—Cd6—Cd3A^xvii	70.94 (8)
Cd7B^xxi—Cd2B—Cd5^xxii	131.5 (2)	Cd3A^xxxviii—Cd6—Cd3A^xvii	108.86 (9)
Cd7C^xxi—Cd2B—Cd5^xxii	138.0 (3)	Cd1—Cd6—Cd3A^vii	61.37 (2)
Cd5^xviii—Cd2B—Cd3B^xxiii	84.85 (15)	Cd1^xvii—Cd6—Cd3A^vii	121.38 (6)
Cd3A^xviii—Cd2B—Cd3B^xxiii	4.89 (8)	Cd1^viii—Cd6—Cd3A^vii	112.59 (6)
Cd3A^xix—Cd2B—Cd3B^xxiii	84.01 (17)	Cd1^i—Cd6—Cd3A^vii	62.99 (4)
Cd7B^xx—Cd2B—Cd3B^xxiii	133.0 (3)	Cd3A—Cd6—Cd3A^vii	108.86 (9)
Cd7B^xxi—Cd2B—Cd3B^xxiii	110.1 (2)	Cd3A^xxxviii—Cd6—Cd3A^vii	70.94 (8)
Cd7C^xxi—Cd2B—Cd3B^xxiii	119.0 (2)	Cd3A^xvii—Cd6—Cd3A^vii	175.32 (10)
Cd5^xxii—Cd2B—Cd3B^xxiii	90.02 (15)	Cd1—Cd6—Cd5	63.533 (19)
Cd5^xviii—Cd2B—Cd3B^xxiv	84.85 (15)	Cd1^xvii—Cd6—Cd5	63.533 (19)
Cd3A^xviii—Cd2B—Cd3B^xxiv	84.01 (17)	Cd1^viii—Cd6—Cd5	120.361 (19)
Cd3A^xix—Cd2B—Cd3B^xxiv	4.89 (8)	Cd1^i—Cd6—Cd5	177.61 (3)
Cd7B^xx—Cd2B—Cd3B^xxiv	110.1 (2)	Cd3A—Cd6—Cd5	69.28 (6)
Cd7B^xxi—Cd2B—Cd3B^xxiv	133.0 (3)	Cd3A^xxxviii—Cd6—Cd5	115.18 (5)
Cd7C^xxi—Cd2B—Cd3B^xxiv	119.0 (2)	Cd3A^xvii—Cd6—Cd5	69.28 (6)
Cd5^xxii—Cd2B—Cd3B^xxiv	90.02 (15)	Cd3A^vii—Cd6—Cd5	115.18 (5)
Cd3B^xxiii—Cd2B—Cd3B^xxiv	87.3 (2)	Cd1—Cd6—Cd5^vii	63.533 (19)
Cd5^xviii—Cd2B—Cd7A^xxv	129.0 (2)	Cd1^xvii—Cd6—Cd5^vii	63.533 (19)
Cd3A^xviii—Cd2B—Cd7A^xxv	146.5 (2)	Cd1^viii—Cd6—Cd5^vii	177.61 (3)
Cd3A^xix—Cd2B—Cd7A^xxv	115.07 (17)	Cd1^i—Cd6—Cd5^vii	120.361 (19)
Cd7B^xx—Cd2B—Cd7A^xxv	9.33 (19)	Cd3A—Cd6—Cd5^vii	115.18 (5)
Cd7B^xxi—Cd2B—Cd7A^xxv	33.8 (2)	Cd3A^xxxviii—Cd6—Cd5^vii	69.28 (6)
Cd7C^xxi—Cd2B—Cd7A^xxv	22.8 (2)	Cd3A^xvii—Cd6—Cd5^vii	115.18 (5)
Cd5^xxii—Cd2B—Cd7A^xxv	122.4 (2)	Cd3A^vii—Cd6—Cd5^vii	69.28 (6)
Cd3B^xxiii—Cd2B—Cd7A^xxv	141.7 (3)	Cd5—Cd6—Cd5^vii	57.24 (4)
Cd3B^xxiv—Cd2B—Cd7A^xxv	110.3 (2)	Cd7B^xxix—Cd7A—Cd7B	105 (3)
Cd5^xviii—Cd2B—Cd7A^xxii	129.0 (2)	Cd7B^xxix—Cd7A—Cd7C	160 (2)
Cd3A^xviii—Cd2B—Cd7A^xxii	115.07 (17)	Cd7B—Cd7A—Cd7C	68.5 (16)
Cd3A^xix—Cd2B—Cd7A^xxii	146.5 (2)	Cd7B^xxix—Cd7A—Cd7A^xxix	27.7 (15)
Cd7B^xx—Cd2B—Cd7A^xxii	33.8 (2)	Cd7B—Cd7A—Cd7A^xxix	80.4 (11)
Cd7B^xxi—Cd2B—Cd7A^xxii	9.33 (19)	Cd7C—Cd7A—Cd7A^xxix	135.2 (14)
Cd7C^xxi—Cd2B—Cd7A^xxii	22.8 (2)	Cd7B^xxix—Cd7A—Cd7A^xxx	86.2 (15)
Cd5^xxii—Cd2B—Cd7A^xxii	122.4 (2)	Cd7B—Cd7A—Cd7A^xxx	21.5 (12)
Cd3B^xxiii—Cd2B—Cd7A^xxii	110.3 (2)	Cd7C—Cd7A—Cd7A^xxx	82.8 (16)
Cd3B^xxiv—Cd2B—Cd7A^xxii	141.7 (3)	Cd7A^xxix—Cd7A—Cd7A^xxx	60.001 (3)
Cd7A^xxv—Cd2B—Cd7A^xxii	37.0 (3)	Cd7B^xxix—Cd7A—Cd7B^xxx	52.3 (14)
Cd5^xviii—Cd2B—Cd2A^xxii	68.18 (6)	Cd7B—Cd7A—Cd7B^xxx	53.8 (11)
Cd3A^xviii—Cd2B—Cd2A^xxii	129.40 (4)	Cd7C—Cd7A—Cd7B^xxx	114.9 (16)
Cd3A^xix—Cd2B—Cd2A^xxii	129.40 (4)	Cd7A^xxix—Cd7A—Cd7B^xxx	26.6 (4)
Cd7B^xx—Cd2B—Cd2A^xxii	72.6 (2)	Cd7A^xxx—Cd7A—Cd7B^xxx	34.0 (4)
Cd7B^xxi—Cd2B—Cd2A^xxii	72.6 (2)	Cd7B^xxix—Cd7A—Cd7C^xxix	26.3 (13)
Cd7C^xxi—Cd2B—Cd2A^xxii	77.0 (2)	Cd7B—Cd7A—Cd7C^xxix	116.0 (17)
Cd5^xxii—Cd2B—Cd2A^xxii	61.03 (6)	Cd7C—Cd7A—Cd7C^xxix	138.5 (18)
Cd3B^xxiii—Cd2B—Cd2A^xxii	129.30 (4)	Cd7A^xxix—Cd7A—Cd7C^xxix	37.7 (10)
Cd3B^xxiv—Cd2B—Cd2A^xxii	129.30 (4)	Cd7A^xxx—Cd7A—Cd7C^xxix	94.6 (10)
Cd7A^xxv—Cd2B—Cd2A^xxii	64.88 (18)	Cd7B^xxx—Cd7A—Cd7C^xxix	63.5 (10)
Cd7A^xxii—Cd2B—Cd2A^xxii	64.88 (18)	Cd7B^xxix—Cd7A—Cd7A^xvi	149.5 (15)
Cd3B^ii—Cd3A—Cd2B^xii	128.4 (6)	Cd7B—Cd7A—Cd7A^xvi	95.2 (15)
Cd3B^ii—Cd3A—Cd4A	59.9 (6)	Cd7C—Cd7A—Cd7A^xvi	27.0 (11)
Cd2B^xii—Cd3A—Cd4A	68.66 (9)	Cd7A^xxix—Cd7A—Cd7A^xvi	143.9 (2)
Cd3B^ii—Cd3A—Cd2A	122.3 (6)	Cd7A^xxx—Cd7A—Cd7A^xvi	107.4 (9)
Cd2B^xii—Cd3A—Cd2A	6.17 (4)	Cd7B^xxx—Cd7A—Cd7A^xvi	135.3 (9)
Cd4A—Cd3A—Cd2A	62.50 (6)	Cd7C^xxix—Cd7A—Cd7A^xvi	123.4 (6)
Cd3B^ii—Cd3A—Cd1	108.3 (5)	Cd7B^xxix—Cd7A—Cd7B^xvi	157.4 (19)
Cd2B^xii—Cd3A—Cd1	105.60 (13)	Cd7B—Cd7A—Cd7B^xvi	70.4 (14)
Cd4A—Cd3A—Cd1	128.29 (3)	Cd7C—Cd7A—Cd7B^xvi	3.7 (11)
Cd2A—Cd3A—Cd1	109.33 (11)	Cd7A^xxix—Cd7A—Cd7B^xvi	133.9 (7)
Cd3B^ii—Cd3A—Cd6	140.5 (7)	Cd7A^xxx—Cd7A—Cd7B^xvi	83.7 (9)
Cd2B^xii—Cd3A—Cd6	90.78 (14)	Cd7B^xxx—Cd7A—Cd7B^xvi	115.0 (10)
Cd4A—Cd3A—Cd6	159.39 (13)	Cd7C^xxix—Cd7A—Cd7B^xvi	134.9 (9)
Cd2A—Cd3A—Cd6	96.93 (12)	Cd7A^xvi—Cd7A—Cd7B^xvi	24.8 (3)
Cd1—Cd3A—Cd6	57.07 (4)	Cd7B^xxix—Cd7A—Cd7C^xxx	74.0 (17)
Cd3B^ii—Cd3A—Cd3B^vii	47.4 (5)	Cd7B—Cd7A—Cd7C^xxx	39.4 (13)
Cd2B^xii—Cd3A—Cd3B^vii	127.28 (7)	Cd7C—Cd7A—Cd7C^xxx	91.0 (11)
Cd4A—Cd3A—Cd3B^vii	79.57 (6)	Cd7A^xxix—Cd7A—Cd7C^xxx	46.4 (7)
Cd2A—Cd3A—Cd3B^vii	123.99 (6)	Cd7A^xxx—Cd7A—Cd7C^xxx	18.4 (7)
Cd1—Cd3A—Cd3B^vii	63.55 (14)	Cd7B^xxx—Cd7A—Cd7C^xxx	24.5 (7)
Cd6—Cd3A—Cd3B^vii	116.09 (12)	Cd7C^xxix—Cd7A—Cd7C^xxx	77.6 (6)
Cd3B^ii—Cd3A—Cd3B^xxvi	43.3 (5)	Cd7A^xvi—Cd7A—Cd7C^xxx	111.1 (6)
Cd2B^xii—Cd3A—Cd3B^xxvi	125.09 (7)	Cd7B^xvi—Cd7A—Cd7C^xxx	90.8 (7)
Cd4A—Cd3A—Cd3B^xxvi	79.29 (5)	Cd7A^xxx—Cd7B—Cd7A	131 (3)
Cd2A—Cd3A—Cd3B^xxvi	121.52 (5)	Cd7A^xxx—Cd7B—Cd7C	137 (2)
Cd1—Cd3A—Cd3B^xxvi	129.15 (10)	Cd7A—Cd7B—Cd7C	61.8 (17)
Cd6—Cd3A—Cd3B^xxvi	113.48 (14)	Cd7A^xxx—Cd7B—Cd7B^xxix	101.7 (16)
Cd3B^vii—Cd3A—Cd3B^xxvi	86.38 (8)	Cd7A—Cd7B—Cd7B^xxix	32.4 (12)
Cd3B^ii—Cd3A—Cd1^viii	103.0 (6)	Cd7C—Cd7B—Cd7B^xxix	92.6 (17)
Cd2B^xii—Cd3A—Cd1^viii	103.14 (9)	Cd7A^xxx—Cd7B—Cd7B^xxx	42.7 (16)
Cd4A—Cd3A—Cd1^viii	124.92 (6)	Cd7A—Cd7B—Cd7B^xxx	91.7 (12)
Cd2A—Cd3A—Cd1^viii	106.18 (8)	Cd7C—Cd7B—Cd7B^xxx	139.7 (13)
Cd1—Cd3A—Cd1^viii	106.65 (4)	Cd7B^xxix—Cd7B—Cd7B^xxx	60.003 (3)
Cd6—Cd3A—Cd1^viii	56.66 (4)	Cd7A^xxx—Cd7B—Cd7A^xxix	67.2 (14)
Cd3B^vii—Cd3A—Cd1^viii	129.58 (11)	Cd7A—Cd7B—Cd7A^xxix	65.7 (11)
Cd3B^xxvi—Cd3A—Cd1^viii	61.24 (15)	Cd7C—Cd7B—Cd7A^xxix	118.7 (15)
Cd3A^iv—Cd3B—Cd3B^i	132.2 (6)	Cd7B^xxix—Cd7B—Cd7A^xxix	34.5 (5)
Cd3A^iv—Cd3B—Cd3B^ix	127.8 (5)	Cd7B^xxx—Cd7B—Cd7A^xxix	26.0 (5)
Cd3B^i—Cd3B—Cd3B^ix	94.84 (9)	Cd7A^xxx—Cd7B—Cd7C^xxx	11.9 (14)
Cd3A^iv—Cd3B—Cd4A^vi	114.5 (5)	Cd7A—Cd7B—Cd7C^xxx	121.2 (16)
Cd3B^i—Cd3B—Cd4A^vi	85.62 (7)	Cd7C—Cd7B—Cd7C^xxx	128.9 (17)
Cd3B^ix—Cd3B—Cd4A^vi	85.62 (7)	Cd7B^xxix—Cd7B—Cd7C^xxx	94.8 (11)
Cd3A^iv—Cd3B—Cd2B^iii	46.6 (5)	Cd7B^xxx—Cd7B—Cd7C^xxx	39.4 (11)
Cd3B^i—Cd3B—Cd2B^iii	125.74 (9)	Cd7A^xxix—Cd7B—Cd7C^xxx	61.1 (10)
Cd3B^ix—Cd3B—Cd2B^iii	127.24 (8)	Cd7A^xxx—Cd7B—Cd7B^xvi	120.1 (15)
Cd4A^vi—Cd3B—Cd2B^iii	68.00 (10)	Cd7A—Cd7B—Cd7B^xvi	84.8 (15)
Cd3A^iv—Cd3B—Cd3A^vii	128.4 (6)	Cd7C—Cd7B—Cd7B^xvi	23.2 (11)
Cd3B^i—Cd3B—Cd3A^vii	4.76 (7)	Cd7B^xxix—Cd7B—Cd7B^xvi	114.5 (10)
Cd3B^ix—Cd3B—Cd3A^vii	97.09 (11)	Cd7B^xxx—Cd7B—Cd7B^xvi	144.735 (16)
Cd4A^vi—Cd3B—Cd3A^vii	89.98 (10)	Cd7A^xxix—Cd7B—Cd7B^xvi	134.0 (8)
Cd2B^iii—Cd3B—Cd3A^vii	126.23 (7)	Cd7C^xxx—Cd7B—Cd7B^xvi	115.9 (6)
Cd3A^iv—Cd3B—Cd3A^xxxi	124.2 (5)	Cd7A^xxx—Cd7B—Cd7A^xvi	135.4 (18)
Cd3B^i—Cd3B—Cd3A^xxxi	97.05 (11)	Cd7A—Cd7B—Cd7A^xvi	59.9 (16)
Cd3B^ix—Cd3B—Cd3A^xxxi	4.43 (9)	Cd7C—Cd7B—Cd7A^xvi	3.5 (10)
Cd4A^vi—Cd3B—Cd3A^xxxi	89.63 (13)	Cd7B^xxix—Cd7B—Cd7A^xvi	90.2 (12)
Cd2B^iii—Cd3B—Cd3A^xxxi	127.63 (6)	Cd7B^xxx—Cd7B—Cd7A^xvi	136.2 (8)
Cd3A^vii—Cd3B—Cd3A^xxxi	99.01 (17)	Cd7A^xxix—Cd7B—Cd7A^xvi	115.5 (10)
Cd3A^iv—Cd3B—Cd4B^vi	108.1 (5)	Cd7C^xxx—Cd7B—Cd7A^xvi	126.7 (9)
Cd3B^i—Cd3B—Cd4B^vi	89.97 (7)	Cd7B^xvi—Cd7B—Cd7A^xvi	24.8 (3)
Cd3B^ix—Cd3B—Cd4B^vi	89.97 (7)	Cd7A^xxx—Cd7B—Cd7C^xxix	88.2 (17)
Cd4A^vi—Cd3B—Cd4B^vi	6.44 (3)	Cd7A—Cd7B—Cd7C^xxix	42.8 (13)
Cd2B^iii—Cd3B—Cd4B^vi	61.56 (9)	Cd7C—Cd7B—Cd7C^xxix	94.3 (11)
Cd3A^vii—Cd3B—Cd4B^vi	94.16 (10)	Cd7B^xxix—Cd7B—Cd7C^xxix	18.5 (6)
Cd3A^xxxi—Cd3B—Cd4B^vi	93.81 (12)	Cd7B^xxx—Cd7B—Cd7C^xxix	50.3 (9)
Cd3A^iv—Cd3B—Cd1^ix	66.2 (5)	Cd7A^xxix—Cd7B—Cd7C^xxix	25.0 (8)
Cd3B^i—Cd3B—Cd1^ix	133.67 (12)	Cd7C^xxx—Cd7B—Cd7C^xxix	79.5 (6)
Cd3B^ix—Cd3B—Cd1^ix	64.40 (14)	Cd7B^xvi—Cd7B—Cd7C^xxix	112.3 (6)
Cd4A^vi—Cd3B—Cd1^ix	129.50 (7)	Cd7A^xvi—Cd7B—Cd7C^xxix	91.1 (7)
Cd2B^iii—Cd3B—Cd1^ix	97.93 (17)	Cd7A^xvi—Cd7C—Cd7A	126 (2)
Cd3A^vii—Cd3B—Cd1^ix	131.13 (8)	Cd7A^xvi—Cd7C—Cd7B^xvi	49.7 (7)
Cd3A^xxxi—Cd3B—Cd1^ix	60.16 (6)	Cd7A—Cd7C—Cd7B^xvi	173 (2)
Cd4B^vi—Cd3B—Cd1^ix	128.22 (5)	Cd7A^xvi—Cd7C—Cd7B	173 (2)
Cd3A^iv—Cd3B—Cd1	71.5 (7)	Cd7A—Cd7C—Cd7B	49.7 (7)
Cd3B^i—Cd3B—Cd1	62.45 (12)	Cd7B^xvi—Cd7C—Cd7B	134 (2)
Cd3B^ix—Cd3B—Cd1	134.56 (12)	Cd7A^xvi—Cd7C—Cd7A^xxxix	59.6 (12)
Cd4A^vi—Cd3B—Cd1	127.06 (6)	Cd7A—Cd7C—Cd7A^xxxix	159.2 (18)
Cd2B^iii—Cd3B—Cd1	96.49 (17)	Cd7B^xvi—Cd7C—Cd7A^xxxix	16.7 (9)
Cd3A^vii—Cd3B—Cd1	58.00 (5)	Cd7B—Cd7C—Cd7A^xxxix	121.9 (15)
Cd3A^xxxi—Cd3B—Cd1	132.53 (8)	Cd7A^xvi—Cd7C—Cd7A^xxx	159.2 (18)
Cd4B^vi—Cd3B—Cd1	125.91 (5)	Cd7A—Cd7C—Cd7A^xxx	59.6 (12)
Cd1^ix—Cd3B—Cd1	101.89 (15)	Cd7B^xvi—Cd7C—Cd7A^xxx	121.9 (15)
Cd3A^iv—Cd3B—Cd2A^iv	52.9 (5)	Cd7B—Cd7C—Cd7A^xxx	16.7 (9)
Cd3B^i—Cd3B—Cd2A^iv	122.84 (8)	Cd7A^xxxix—Cd7C—Cd7A^xxx	107.9 (12)
Cd3B^ix—Cd3B—Cd2A^iv	124.75 (8)	Cd7A^xvi—Cd7C—Cd7B^xiv	8.1 (9)
Cd4A^vi—Cd3B—Cd2A^iv	61.79 (6)	Cd7A—Cd7C—Cd7B^xiv	126.9 (16)
Cd2B^iii—Cd3B—Cd2A^iv	6.22 (4)	Cd7B^xvi—Cd7C—Cd7B^xiv	47.9 (11)
Cd3A^vii—Cd3B—Cd2A^iv	123.89 (6)	Cd7B—Cd7C—Cd7B^xiv	166.0 (18)
Cd3A^xxxi—Cd3B—Cd2A^iv	125.70 (6)	Cd7A^xxxix—Cd7C—Cd7B^xiv	55.4 (4)
Cd4B^vi—Cd3B—Cd2A^iv	55.35 (6)	Cd7A^xxx—Cd7C—Cd7B^xiv	151.1 (13)
Cd1^ix—Cd3B—Cd2A^iv	102.08 (15)	Cd7A^xvi—Cd7C—Cd7B^xxix	126.9 (16)
Cd1—Cd3B—Cd2A^iv	99.99 (16)	Cd7A—Cd7C—Cd7B^xxix	8.1 (9)
Cd3A^iv—Cd3B—Cd6^ix	36.0 (6)	Cd7B^xvi—Cd7C—Cd7B^xxix	166.0 (18)
Cd3B^i—Cd3B—Cd6^ix	112.45 (7)	Cd7B—Cd7C—Cd7B^xxix	47.9 (11)
Cd3B^ix—Cd3B—Cd6^ix	114.51 (9)	Cd7A^xxxix—Cd7C—Cd7B^xxix	151.1 (13)
Cd4A^vi—Cd3B—Cd6^ix	150.37 (19)	Cd7A^xxx—Cd7C—Cd7B^xxix	55.4 (4)
Cd2B^iii—Cd3B—Cd6^ix	82.4 (2)	Cd7B^xiv—Cd7C—Cd7B^xxix	126.3 (13)
Cd3A^vii—Cd3B—Cd6^ix	107.70 (5)	Cd7A^xvi—Cd7C—Cd7B^xxxix	40.1 (9)
Cd3A^xxxi—Cd3B—Cd6^ix	110.08 (5)	Cd7A—Cd7C—Cd7B^xxxix	151.0 (16)
Cd4B^vi—Cd3B—Cd6^ix	143.94 (19)	Cd7B^xvi—Cd7C—Cd7B^xxxix	21.8 (8)
Cd1^ix—Cd3B—Cd6^ix	53.48 (9)	Cd7B—Cd7C—Cd7B^xxxix	139.7 (15)
Cd1—Cd3B—Cd6^ix	53.45 (10)	Cd7A^xxxix—Cd7C—Cd7B^xxxix	21.2 (5)
Cd2A^iv—Cd3B—Cd6^ix	88.59 (18)	Cd7A^xxx—Cd7C—Cd7B^xxxix	123.7 (10)
Cd7B^xiii—Cd4A—Cd7B^xv	17.9 (3)	Cd7B^xiv—Cd7C—Cd7B^xxxix	34.9 (5)
Cd7B^xiii—Cd4A—Cd7B^xxvii	17.9 (3)	Cd7B^xxix—Cd7C—Cd7B^xxxix	145.2 (12)
Cd7B^xv—Cd4A—Cd7B^xxvii	17.9 (3)	Cd7A^xvi—Cd7C—Cd7B^xxx	151.0 (16)
Cd7B^xiii—Cd4A—Cd3B^xxxii	125.5 (3)	Cd7A—Cd7C—Cd7B^xxx	40.1 (9)
Cd7B^xv—Cd4A—Cd3B^xxxii	128.6 (3)	Cd7B^xvi—Cd7C—Cd7B^xxx	139.7 (15)
Cd7B^xxvii—Cd4A—Cd3B^xxxii	112.2 (2)	Cd7B—Cd7C—Cd7B^xxx	21.8 (8)
Cd7B^xiii—Cd4A—Cd3B^ii	112.2 (2)	Cd7A^xxxix—Cd7C—Cd7B^xxx	123.7 (10)
Cd7B^xv—Cd4A—Cd3B^ii	125.5 (3)	Cd7A^xxx—Cd7C—Cd7B^xxx	21.2 (5)
Cd7B^xxvii—Cd4A—Cd3B^ii	128.6 (3)	Cd7B^xiv—Cd7C—Cd7B^xxx	145.2 (12)
Cd3B^xxxii—Cd4A—Cd3B^ii	93.91 (18)	Cd7B^xxix—Cd7C—Cd7B^xxx	34.9 (5)
Cd7B^xiii—Cd4A—Cd3B^xxxiii	128.6 (3)	Cd7B^xxxix—Cd7C—Cd7B^xxx	133.8 (11)
Cd7B^xv—Cd4A—Cd3B^xxxiii	112.2 (2)

Symmetry codes: (i) −y+1/2, −z+1/2, −x+1/2; (ii) −y+1/2, −z+1/2, x−1/2; (iii) y−1/2, z−1/2, x−1/2; (iv) z+1/2, −x+1/2, −y+1/2; (v) −x+1/2, −y+1/2, −z−1/2; (vi) −x+1/2, −y+1/2, z+1/2; (vii) x, y, −z; (viii) −y+1/2, z+1/2, x−1/2; (ix) −z+1/2, −x+1/2, −y+1/2; (x) −x+1, y, −z; (xi) z+1/2, −x+1/2, y−1/2; (xii) −z+1, x, y−1; (xiii) −z, −x+1, y−1; (xiv) −z, x, y−1; (xv) −x+1, −y+1, z; (xvi) −x+1, y, z; (xvii) x, −y+1, z; (xviii) −y+1, z+1, −x+1; (xix) y, z+1, −x+1; (xx) −x+1, y, z+1; (xxi) x, y, z+1; (xxii) y, z+1, x; (xxiii) z+1/2, x+1/2, y+1/2; (xxiv) −z+1/2, x+1/2, y+1/2; (xxv) −y+1, z+1, x; (xxvi) z, x, −y; (xxvii) −y+1, −z, x−1; (xxviii) −x+1, −y+1, −z; (xxix) z+1, x, y−1; (xxx) y, z+1, x−1; (xxxi) y, −z, x; (xxxii) −x+1/2, −y+1/2, z−1/2; (xxxiii) −z+1/2, −x+1/2, y−1/2; (xxxiv) −z, x, −y; (xxxv) y, −z, −x; (xxxvi) −y+1, −z, −x; (xxxvii) z, x, y−1; (xxxviii) x, −y+1, −z; (xxxix) −y+1, z+1, x−1.

(YCdMg-2-1-cAP)

Crystal data

Cd432.91Mg177.41Y90.40	Mo Kα radiation, λ = 0.71073 Å
Mr = 61013.94	Cell parameters from 151847 reflections
Cubic, Pa3	θ = 2.0–38.1°
a = 25.0654 (1) Å	µ = 22.54 mm^−1
V = 15747.9 (1) Å^3	T = 298 K
Z = 1	Prism, metallic
F(000) = 26441	0.65 × 0.60 × 0.50 mm
Dx = 6.434 Mg m^−3

Data collection

XtaLAB Synergy R, HyPix diffractometer	5382 independent reflections
Radiation source: micro-focus sealed X-ray tube, Mova (Mo) X-ray Source	5128 reflections with I > 2σ(I)
Mirror monochromator	Rint = 0.037
ω scans	θmax = 26.4°, θmin = 1.8°
Absorption correction: multi-scan CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	h = −31→31
Tmin = 0.766, Tmax = 1.000	k = −31→31
422818 measured reflections	l = −31→31

Refinement

Refinement on F^2	438 parameters
Least-squares matrix: full	6 restraints
R[F^2 > 2σ(F^2)] = 0.038	w = 1/[σ^2(Fo^2) + (0.0289P)^2 + 339.1513P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.091	(Δ/σ)max = 0.001
S = 1.17	Δρmax = 1.84 e Å^−3
5382 reflections	Δρmin = −1.36 e Å^−3

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.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
C1	0.65673 (2)	0.75197 (2)	0.59671 (2)	0.01224 (14)
C2	0.65462 (2)	0.94072 (2)	0.59536 (2)	0.01168 (13)
C3	0.53627 (2)	0.74904 (2)	0.40618 (2)	0.0130 (2)	0.975 (4)
M3	0.53627 (2)	0.74904 (2)	0.40618 (2)	0.0130 (2)	0.025 (4)
C4	0.59636 (2)	0.65787 (2)	0.56071 (2)	0.0140 (2)	0.972 (4)
M4	0.59636 (2)	0.65787 (2)	0.56071 (2)	0.0140 (2)	0.028 (4)
C5A	0.43973 (2)	0.59293 (2)	0.46379 (2)	0.01399 (16)	0.9349 (13)
M5A	0.43973 (2)	0.59293 (2)	0.46379 (2)	0.01399 (16)	0.05533 (8)
C5B	0.441 (2)	0.557 (2)	0.440 (2)	0.010*	0.0092 (13)
M5B	0.441 (2)	0.557 (2)	0.440 (2)	0.010*	0.00055 (8)
C6	0.55677 (3)	0.91375 (3)	0.53039 (3)	0.0232 (3)	0.865 (4)
M6	0.55677 (3)	0.91375 (3)	0.53039 (3)	0.0232 (3)	0.135 (4)
C7A	0.7169 (4)	0.8587 (4)	0.4227 (4)	0.0188 (8)	0.25 (3)
M7A	0.7169 (4)	0.8587 (4)	0.4227 (4)	0.0188 (8)	0.030 (3)
C7B	0.71361 (16)	0.85431 (19)	0.4348 (4)	0.0188 (8)	0.64 (3)
M7B	0.71361 (16)	0.85431 (19)	0.4348 (4)	0.0188 (8)	0.076 (3)
C8	0.44822 (4)	0.94822 (4)	0.55178 (4)	0.0301 (5)	0.869 (7)
M8	0.44822 (4)	0.94822 (4)	0.55178 (4)	0.0301 (5)	0.131 (7)
C9A	0.44494 (17)	0.74670 (15)	0.55591 (17)	0.0171 (5)	0.555 (3)
M9A	0.44494 (17)	0.74670 (15)	0.55591 (17)	0.0171 (5)	0.03034 (15)
C9B	0.4364 (3)	0.7565 (3)	0.5634 (3)	0.0171 (5)	0.345 (3)
M9B	0.4364 (3)	0.7565 (3)	0.5634 (3)	0.0171 (5)	0.01885 (15)
C9C	0.4045 (12)	0.7725 (10)	0.5586 (9)	0.0171 (5)	0.0247 (15)
M9C	0.4045 (12)	0.7725 (10)	0.5586 (9)	0.0171 (5)	0.00135 (8)
C9D	0.3790 (17)	0.7851 (15)	0.5475 (15)	0.0171 (5)	0.0158 (14)
M9D	0.3790 (17)	0.7851 (15)	0.5475 (15)	0.0171 (5)	0.00086 (8)
C9E	0.405 (2)	0.804 (2)	0.536 (2)	0.010*	0.0085 (11)
M9E	0.405 (2)	0.804 (2)	0.536 (2)	0.010*	0.0085 (11)
C10A	0.4258 (3)	0.71383 (19)	0.4462 (3)	0.0165 (8)	0.542 (17)
M10A	0.4258 (3)	0.71383 (19)	0.4462 (3)	0.0165 (8)	0.106 (3)
C10B	0.4339 (4)	0.7155 (4)	0.4571 (3)	0.0165 (8)	0.294 (17)
M10B	0.4339 (4)	0.7155 (4)	0.4571 (3)	0.0165 (8)	0.058 (3)
C11A	0.59259 (4)	0.65493 (4)	0.36330 (5)	0.0183 (3)	0.750 (2)
M11A	0.59259 (4)	0.65493 (4)	0.36330 (5)	0.0183 (3)	0.1308 (4)
C11B	0.5923 (5)	0.6540 (4)	0.3450 (4)	0.0183 (3)	0.092 (2)
M11B	0.5923 (5)	0.6540 (4)	0.3450 (4)	0.0183 (3)	0.0161 (4)
C11C	0.597 (2)	0.688 (2)	0.346 (2)	0.010*	0.0099 (13)
M11C	0.597 (2)	0.688 (2)	0.346 (2)	0.010*	0.0017 (2)
C12A	0.64896 (15)	0.75915 (11)	0.71624 (4)	0.0228 (6)	0.719 (10)
M12A	0.64896 (15)	0.75915 (11)	0.71624 (4)	0.0228 (6)	0.154 (2)
C12B	0.7723 (6)	0.7193 (4)	0.6341 (4)	0.0228 (6)	0.105 (10)
M12B	0.7723 (6)	0.7193 (4)	0.6341 (4)	0.0228 (6)	0.023 (2)
C13A	0.74836 (14)	0.75171 (15)	0.44465 (15)	0.0157 (5)	0.485 (3)
M13A	0.74836 (14)	0.75171 (15)	0.44465 (15)	0.0157 (5)	0.0698 (4)
C13B	0.7594 (3)	0.7448 (2)	0.4348 (3)	0.0157 (5)	0.320 (3)
M13B	0.7594 (3)	0.7448 (2)	0.4348 (3)	0.0157 (5)	0.0460 (4)
C13C	0.7724 (7)	0.7478 (6)	0.4086 (9)	0.0157 (5)	0.0372 (19)
M13C	0.7724 (7)	0.7478 (6)	0.4086 (9)	0.0157 (5)	0.0053 (3)
C13D	0.7810 (18)	0.7425 (12)	0.4276 (16)	0.0157 (5)	0.022 (2)
M13D	0.7810 (18)	0.7425 (12)	0.4276 (16)	0.0157 (5)	0.0032 (3)
C13E	0.7489 (19)	0.7495 (19)	0.3658 (19)	0.010*	0.0103 (12)
M13E	0.7489 (19)	0.7495 (19)	0.3658 (19)	0.010*	0.00148 (18)
C14A	0.70124 (4)	0.65493 (3)	0.40176 (4)	0.0220 (2)	0.7696 (17)
M14A	0.70124 (4)	0.65493 (3)	0.40176 (4)	0.0220 (2)	0.1671 (4)
C14B	0.3720 (9)	0.7137 (6)	0.6508 (6)	0.0220 (2)	0.0399 (15)
M14B	0.3720 (9)	0.7137 (6)	0.6508 (6)	0.0220 (2)	0.0087 (3)
C14C	0.3445 (16)	0.7140 (16)	0.6904 (16)	0.010*	0.0120 (12)
M14C	0.3445 (16)	0.7140 (16)	0.6904 (16)	0.010*	0.0026 (3)
C15	0.50779 (4)	0.84540 (3)	0.71601 (3)	0.0288 (3)	0.776 (4)
M15	0.50779 (4)	0.84540 (3)	0.71601 (3)	0.0288 (3)	0.224 (4)
C16	0.68190 (5)	0.84637 (3)	0.78448 (3)	0.0356 (4)	0.815 (5)
M16	0.68190 (5)	0.84637 (3)	0.78448 (3)	0.0356 (4)	0.185 (5)
C17A	0.7619 (2)	0.7867 (2)	0.5496 (4)	0.0243 (8)	0.66 (3)
M17A	0.7619 (2)	0.7867 (2)	0.5496 (4)	0.0243 (8)	0.217 (11)
C17B	0.7561 (10)	0.7805 (10)	0.5385 (15)	0.0243 (8)	0.09 (3)
M17B	0.7561 (10)	0.7805 (10)	0.5385 (15)	0.0243 (8)	0.031 (11)
C18A	0.59841 (13)	0.84559 (12)	0.6394 (4)	0.0181 (8)	0.54 (2)
M18A	0.59841 (13)	0.84559 (12)	0.6394 (4)	0.0181 (8)	0.207 (8)
C18B	0.6001 (4)	0.8445 (4)	0.6533 (6)	0.0181 (8)	0.18 (2)
M18B	0.6001 (4)	0.8445 (4)	0.6533 (6)	0.0181 (8)	0.070 (8)
C19A	0.4653 (7)	0.8642 (6)	0.5971 (6)	0.0261 (6)	0.0478 (17)
M19A	0.4653 (7)	0.8642 (6)	0.5971 (6)	0.0261 (6)	0.0191 (7)
C19B	0.48870 (10)	0.84662 (13)	0.60080 (12)	0.0261 (6)	0.517 (2)
M19B	0.48870 (10)	0.84662 (13)	0.60080 (12)	0.0261 (6)	0.2066 (9)
C19C	0.5026 (5)	0.8460 (5)	0.5934 (5)	0.0261 (6)	0.150 (2)
M19C	0.5026 (5)	0.8460 (5)	0.5934 (5)	0.0261 (6)	0.0600 (9)
C20A	0.6378 (3)	0.5852 (2)	0.47261 (10)	0.0223 (8)	0.426 (15)
M20A	0.6378 (3)	0.5852 (2)	0.47261 (10)	0.0223 (8)	0.450 (15)
C20B	0.6505 (13)	0.5744 (13)	0.4758 (8)	0.0223 (8)	0.060 (15)
M20B	0.6505 (13)	0.5744 (13)	0.4758 (8)	0.0223 (8)	0.063 (15)
C21A	0.7588 (2)	0.7588 (2)	0.7588 (2)	0.0492 (16)	0.4087 (19)
M21A	0.7588 (2)	0.7588 (2)	0.7588 (2)	0.0492 (16)	0.2676 (12)
C21B	0.74475 (15)	0.74475 (15)	0.74475 (15)	0.0172 (19)*	0.1770 (18)
M21B	0.74475 (15)	0.74475 (15)	0.74475 (15)	0.0172 (19)*	0.1158 (12)
C21C	0.7764 (14)	0.7802 (13)	0.7568 (15)	0.0172 (19)*	0.0186 (15)
M21C	0.7764 (14)	0.7802 (13)	0.7568 (15)	0.0172 (19)*	0.0122 (10)
C22	0.55271 (6)	0.77449 (7)	0.53272 (6)	0.0298 (6)	0.307 (4)
M22	0.55271 (6)	0.77449 (7)	0.53272 (6)	0.0298 (6)	0.693 (4)
C23A	0.53379 (10)	0.65643 (9)	0.47034 (10)	0.0288 (7)	0.1910 (15)
M23A	0.53379 (10)	0.65643 (9)	0.47034 (10)	0.0288 (7)	0.762 (6)
C23B	0.549 (2)	0.641 (2)	0.447 (2)	0.0288 (7)	0.0093 (15)
M23B	0.549 (2)	0.641 (2)	0.447 (2)	0.0288 (7)	0.037 (6)
C24	0.65617 (8)	0.84427 (7)	0.53540 (8)	0.0209 (7)	0.158 (5)
M24	0.65617 (8)	0.84427 (7)	0.53540 (8)	0.0209 (7)	0.842 (5)
C25	0.64305 (10)	0.72899 (10)	0.47100 (9)	0.0358 (9)	0.151 (5)
M25	0.64305 (10)	0.72899 (10)	0.47100 (9)	0.0358 (9)	0.849 (5)
C26	0.65793 (9)	0.65793 (9)	0.65793 (9)	0.0144 (15)	0.062 (8)
M26	0.65793 (9)	0.65793 (9)	0.65793 (9)	0.0144 (15)	0.938 (8)
C27A	0.8638 (7)	0.6896 (6)	0.4065 (5)	0.045 (2)	0.115 (4)
M27A	0.8638 (7)	0.6896 (6)	0.4065 (5)	0.045 (2)	0.0383 (13)
C27B	0.8426 (4)	0.7055 (3)	0.3903 (4)	0.045 (2)	0.175 (4)
M27B	0.8426 (4)	0.7055 (3)	0.3903 (4)	0.045 (2)	0.0582 (13)
C27C	0.8263 (7)	0.7177 (6)	0.3712 (6)	0.045 (2)	0.089 (4)
M27C	0.8263 (7)	0.7177 (6)	0.3712 (6)	0.045 (2)	0.0298 (12)
C27D	0.4039 (6)	0.8786 (6)	0.6294 (7)	0.045 (3)*	0.056 (2)
M27D	0.4039 (6)	0.8786 (6)	0.6294 (7)	0.045 (3)*	0.0188 (8)
C27E	0.3725 (5)	0.8337 (10)	0.5922 (6)	0.045 (3)*	0.075 (5)
M27E	0.3725 (5)	0.8337 (10)	0.5922 (6)	0.045 (3)*	0.0250 (16)
C27F	0.7799 (12)	0.6759 (13)	0.3268 (14)	0.045 (3)*	0.029 (2)
M27F	0.7799 (12)	0.6759 (13)	0.3268 (14)	0.045 (3)*	0.0096 (7)
C27G	0.7917 (15)	0.6657 (14)	0.2962 (16)	0.045 (3)*	0.024 (2)
M27G	0.7917 (15)	0.6657 (14)	0.2962 (16)	0.045 (3)*	0.0081 (7)
Y1	0.15274 (3)	0.34086 (3)	0.03900 (3)	0.01012 (16)
Y2	0.54011 (3)	0.34541 (3)	0.03197 (3)	0.01127 (16)
Y3A	0.76835 (6)	0.34419 (5)	0.03403 (7)	0.0159 (4)	0.453 (2)
Y3B	0.76835 (6)	0.34419 (5)	0.03403 (7)	0.0159 (4)	0.455 (2)
Y3C	0.5584 (8)	0.7159 (7)	0.6558 (6)	0.0159 (4)	0.046 (2)
Y3D	0.5584 (8)	0.7159 (7)	0.6558 (6)	0.0159 (4)	0.046 (2)
Y4	0.33959 (3)	0.26916 (3)	0.15410 (3)	0.01446 (17)
Y5A	0.96014 (3)	0.46014 (3)	0.03986 (3)	0.0103 (5)	0.736 (10)
Y5B	0.96014 (3)	0.46014 (3)	0.03986 (3)	0.0103 (5)	0.263 (10)
Y6	0.3455 (4)	0.8455 (4)	0.6545 (4)	0.005*	0.067 (4)
C28	0.7522 (12)	0.6355 (12)	0.4438 (12)	0.010*	0.0175 (15)
C29	0.5582 (13)	0.8651 (12)	0.7479 (13)	0.010*	0.0163 (15)
C30	0.622 (2)	0.8466 (19)	0.782 (2)	0.010*	0.0105 (15)
C31	0.7863 (16)	0.6815 (16)	0.4633 (16)	0.010*	0.0124 (15)
C32	0.4612 (16)	0.7161 (16)	0.5059 (16)	0.010*	0.0130 (15)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.0148 (3)	0.0092 (3)	0.0127 (3)	−0.0011 (2)	−0.0008 (2)	0.0020 (2)
C2	0.0131 (3)	0.0102 (3)	0.0118 (3)	0.00081 (19)	0.0006 (2)	−0.0014 (2)
C3	0.0146 (3)	0.0095 (3)	0.0150 (3)	−0.0008 (2)	−0.0004 (2)	0.0015 (2)
M3	0.0146 (3)	0.0095 (3)	0.0150 (3)	−0.0008 (2)	−0.0004 (2)	0.0015 (2)
C4	0.0170 (3)	0.0130 (3)	0.0122 (3)	−0.0023 (2)	−0.0037 (2)	0.0016 (2)
M4	0.0170 (3)	0.0130 (3)	0.0122 (3)	−0.0023 (2)	−0.0037 (2)	0.0016 (2)
C5A	0.0119 (3)	0.0142 (3)	0.0159 (3)	0.0016 (2)	0.0019 (2)	0.0028 (2)
M5A	0.0119 (3)	0.0142 (3)	0.0159 (3)	0.0016 (2)	0.0019 (2)	0.0028 (2)
C6	0.0134 (4)	0.0379 (5)	0.0183 (4)	−0.0053 (3)	0.0025 (3)	−0.0139 (3)
M6	0.0134 (4)	0.0379 (5)	0.0183 (4)	−0.0053 (3)	0.0025 (3)	−0.0139 (3)
C7A	0.0110 (5)	0.0312 (8)	0.014 (2)	0.0026 (5)	0.0009 (10)	−0.0124 (11)
M7A	0.0110 (5)	0.0312 (8)	0.014 (2)	0.0026 (5)	0.0009 (10)	−0.0124 (11)
C7B	0.0110 (5)	0.0312 (8)	0.014 (2)	0.0026 (5)	0.0009 (10)	−0.0124 (11)
M7B	0.0110 (5)	0.0312 (8)	0.014 (2)	0.0026 (5)	0.0009 (10)	−0.0124 (11)
C8	0.0301 (5)	0.0301 (5)	0.0301 (5)	0.0209 (4)	−0.0209 (4)	−0.0209 (4)
M8	0.0301 (5)	0.0301 (5)	0.0301 (5)	0.0209 (4)	−0.0209 (4)	−0.0209 (4)
C9A	0.0214 (14)	0.0162 (14)	0.0137 (12)	−0.0089 (9)	−0.0032 (8)	0.0032 (8)
M9A	0.0214 (14)	0.0162 (14)	0.0137 (12)	−0.0089 (9)	−0.0032 (8)	0.0032 (8)
C9B	0.0214 (14)	0.0162 (14)	0.0137 (12)	−0.0089 (9)	−0.0032 (8)	0.0032 (8)
M9B	0.0214 (14)	0.0162 (14)	0.0137 (12)	−0.0089 (9)	−0.0032 (8)	0.0032 (8)
C9C	0.0214 (14)	0.0162 (14)	0.0137 (12)	−0.0089 (9)	−0.0032 (8)	0.0032 (8)
M9C	0.0214 (14)	0.0162 (14)	0.0137 (12)	−0.0089 (9)	−0.0032 (8)	0.0032 (8)
C9D	0.0214 (14)	0.0162 (14)	0.0137 (12)	−0.0089 (9)	−0.0032 (8)	0.0032 (8)
M9D	0.0214 (14)	0.0162 (14)	0.0137 (12)	−0.0089 (9)	−0.0032 (8)	0.0032 (8)
C10A	0.0289 (15)	0.0125 (4)	0.0082 (18)	−0.0091 (8)	0.0069 (13)	−0.0071 (10)
M10A	0.0289 (15)	0.0125 (4)	0.0082 (18)	−0.0091 (8)	0.0069 (13)	−0.0071 (10)
C10B	0.0289 (15)	0.0125 (4)	0.0082 (18)	−0.0091 (8)	0.0069 (13)	−0.0071 (10)
M10B	0.0289 (15)	0.0125 (4)	0.0082 (18)	−0.0091 (8)	0.0069 (13)	−0.0071 (10)
C11A	0.0136 (3)	0.0119 (4)	0.0293 (6)	0.0000 (3)	0.0049 (5)	0.0004 (5)
M11A	0.0136 (3)	0.0119 (4)	0.0293 (6)	0.0000 (3)	0.0049 (5)	0.0004 (5)
C11B	0.0136 (3)	0.0119 (4)	0.0293 (6)	0.0000 (3)	0.0049 (5)	0.0004 (5)
M11B	0.0136 (3)	0.0119 (4)	0.0293 (6)	0.0000 (3)	0.0049 (5)	0.0004 (5)
C12A	0.0359 (12)	0.0212 (8)	0.0114 (4)	−0.0139 (9)	0.0045 (4)	0.0005 (3)
M12A	0.0359 (12)	0.0212 (8)	0.0114 (4)	−0.0139 (9)	0.0045 (4)	0.0005 (3)
C12B	0.0359 (12)	0.0212 (8)	0.0114 (4)	−0.0139 (9)	0.0045 (4)	0.0005 (3)
M12B	0.0359 (12)	0.0212 (8)	0.0114 (4)	−0.0139 (9)	0.0045 (4)	0.0005 (3)
C13A	0.0151 (15)	0.0154 (10)	0.0166 (14)	−0.0047 (9)	−0.0052 (9)	0.0025 (8)
M13A	0.0151 (15)	0.0154 (10)	0.0166 (14)	−0.0047 (9)	−0.0052 (9)	0.0025 (8)
C13B	0.0151 (15)	0.0154 (10)	0.0166 (14)	−0.0047 (9)	−0.0052 (9)	0.0025 (8)
M13B	0.0151 (15)	0.0154 (10)	0.0166 (14)	−0.0047 (9)	−0.0052 (9)	0.0025 (8)
C13C	0.0151 (15)	0.0154 (10)	0.0166 (14)	−0.0047 (9)	−0.0052 (9)	0.0025 (8)
M13C	0.0151 (15)	0.0154 (10)	0.0166 (14)	−0.0047 (9)	−0.0052 (9)	0.0025 (8)
C13D	0.0151 (15)	0.0154 (10)	0.0166 (14)	−0.0047 (9)	−0.0052 (9)	0.0025 (8)
M13D	0.0151 (15)	0.0154 (10)	0.0166 (14)	−0.0047 (9)	−0.0052 (9)	0.0025 (8)
C14A	0.0363 (5)	0.0106 (3)	0.0190 (5)	0.0008 (3)	−0.0111 (4)	−0.0007 (3)
M14A	0.0363 (5)	0.0106 (3)	0.0190 (5)	0.0008 (3)	−0.0111 (4)	−0.0007 (3)
C14B	0.0363 (5)	0.0106 (3)	0.0190 (5)	0.0008 (3)	−0.0111 (4)	−0.0007 (3)
M14B	0.0363 (5)	0.0106 (3)	0.0190 (5)	0.0008 (3)	−0.0111 (4)	−0.0007 (3)
C15	0.0581 (6)	0.0117 (4)	0.0167 (4)	0.0003 (3)	0.0179 (4)	0.0014 (3)
M15	0.0581 (6)	0.0117 (4)	0.0167 (4)	0.0003 (3)	0.0179 (4)	0.0014 (3)
C16	0.0812 (8)	0.0094 (4)	0.0162 (4)	0.0001 (4)	0.0201 (4)	−0.0002 (3)
M16	0.0812 (8)	0.0094 (4)	0.0162 (4)	0.0001 (4)	0.0201 (4)	−0.0002 (3)
C17A	0.0317 (8)	0.0139 (8)	0.0273 (17)	−0.0055 (6)	0.0183 (10)	−0.0066 (10)
M17A	0.0317 (8)	0.0139 (8)	0.0273 (17)	−0.0055 (6)	0.0183 (10)	−0.0066 (10)
C17B	0.0317 (8)	0.0139 (8)	0.0273 (17)	−0.0055 (6)	0.0183 (10)	−0.0066 (10)
M17B	0.0317 (8)	0.0139 (8)	0.0273 (17)	−0.0055 (6)	0.0183 (10)	−0.0066 (10)
C18A	0.0189 (5)	0.0132 (4)	0.022 (3)	0.0015 (3)	0.0062 (10)	0.0018 (10)
M18A	0.0189 (5)	0.0132 (4)	0.022 (3)	0.0015 (3)	0.0062 (10)	0.0018 (10)
C18B	0.0189 (5)	0.0132 (4)	0.022 (3)	0.0015 (3)	0.0062 (10)	0.0018 (10)
M18B	0.0189 (5)	0.0132 (4)	0.022 (3)	0.0015 (3)	0.0062 (10)	0.0018 (10)
C19A	0.047 (2)	0.0136 (5)	0.0176 (10)	−0.0039 (12)	−0.0120 (9)	0.0000 (7)
M19A	0.047 (2)	0.0136 (5)	0.0176 (10)	−0.0039 (12)	−0.0120 (9)	0.0000 (7)
C19B	0.047 (2)	0.0136 (5)	0.0176 (10)	−0.0039 (12)	−0.0120 (9)	0.0000 (7)
M19B	0.047 (2)	0.0136 (5)	0.0176 (10)	−0.0039 (12)	−0.0120 (9)	0.0000 (7)
C19C	0.047 (2)	0.0136 (5)	0.0176 (10)	−0.0039 (12)	−0.0120 (9)	0.0000 (7)
M19C	0.047 (2)	0.0136 (5)	0.0176 (10)	−0.0039 (12)	−0.0120 (9)	0.0000 (7)
C20A	0.0154 (16)	0.0361 (14)	0.0156 (6)	−0.0028 (14)	0.0036 (7)	−0.0057 (7)
M20A	0.0154 (16)	0.0361 (14)	0.0156 (6)	−0.0028 (14)	0.0036 (7)	−0.0057 (7)
C20B	0.0154 (16)	0.0361 (14)	0.0156 (6)	−0.0028 (14)	0.0036 (7)	−0.0057 (7)
M20B	0.0154 (16)	0.0361 (14)	0.0156 (6)	−0.0028 (14)	0.0036 (7)	−0.0057 (7)
C21A	0.0492 (16)	0.0492 (16)	0.0492 (16)	0.033 (3)	0.033 (3)	0.033 (3)
M21A	0.0492 (16)	0.0492 (16)	0.0492 (16)	0.033 (3)	0.033 (3)	0.033 (3)
C22	0.0209 (8)	0.0420 (10)	0.0265 (9)	0.0096 (6)	0.0009 (6)	0.0134 (7)
M22	0.0209 (8)	0.0420 (10)	0.0265 (9)	0.0096 (6)	0.0009 (6)	0.0134 (7)
C23A	0.0441 (13)	0.0182 (10)	0.0240 (13)	−0.0125 (9)	−0.0187 (10)	0.0072 (9)
M23A	0.0441 (13)	0.0182 (10)	0.0240 (13)	−0.0125 (9)	−0.0187 (10)	0.0072 (9)
C23B	0.0441 (13)	0.0182 (10)	0.0240 (13)	−0.0125 (9)	−0.0187 (10)	0.0072 (9)
M23B	0.0441 (13)	0.0182 (10)	0.0240 (13)	−0.0125 (9)	−0.0187 (10)	0.0072 (9)
C24	0.0277 (12)	0.0153 (10)	0.0197 (11)	−0.0049 (7)	−0.0093 (7)	0.0027 (7)
M24	0.0277 (12)	0.0153 (10)	0.0197 (11)	−0.0049 (7)	−0.0093 (7)	0.0027 (7)
C25	0.0447 (15)	0.0402 (15)	0.0226 (12)	0.0144 (10)	−0.0007 (9)	0.0092 (9)
M25	0.0447 (15)	0.0402 (15)	0.0226 (12)	0.0144 (10)	−0.0007 (9)	0.0092 (9)
C26	0.0144 (15)	0.0144 (15)	0.0144 (15)	0.0024 (8)	0.0024 (8)	0.0024 (8)
M26	0.0144 (15)	0.0144 (15)	0.0144 (15)	0.0024 (8)	0.0024 (8)	0.0024 (8)
C27A	0.068 (6)	0.026 (5)	0.042 (5)	−0.006 (3)	0.003 (3)	−0.015 (3)
M27A	0.068 (6)	0.026 (5)	0.042 (5)	−0.006 (3)	0.003 (3)	−0.015 (3)
C27B	0.068 (6)	0.026 (5)	0.042 (5)	−0.006 (3)	0.003 (3)	−0.015 (3)
M27B	0.068 (6)	0.026 (5)	0.042 (5)	−0.006 (3)	0.003 (3)	−0.015 (3)
C27C	0.068 (6)	0.026 (5)	0.042 (5)	−0.006 (3)	0.003 (3)	−0.015 (3)
M27C	0.068 (6)	0.026 (5)	0.042 (5)	−0.006 (3)	0.003 (3)	−0.015 (3)
Y1	0.0092 (3)	0.0115 (3)	0.0096 (3)	−0.0006 (3)	−0.0001 (2)	−0.0021 (3)
Y2	0.0105 (3)	0.0106 (3)	0.0127 (3)	−0.0001 (3)	−0.0015 (3)	0.0000 (3)
Y3A	0.0150 (7)	0.0141 (6)	0.0186 (10)	0.0004 (5)	0.0038 (7)	−0.0007 (5)
Y3B	0.0150 (7)	0.0141 (6)	0.0186 (10)	0.0004 (5)	0.0038 (7)	−0.0007 (5)
Y3C	0.0150 (7)	0.0141 (6)	0.0186 (10)	0.0004 (5)	0.0038 (7)	−0.0007 (5)
Y3D	0.0150 (7)	0.0141 (6)	0.0186 (10)	0.0004 (5)	0.0038 (7)	−0.0007 (5)
Y4	0.0172 (4)	0.0133 (4)	0.0128 (4)	0.0027 (3)	−0.0009 (3)	−0.0002 (3)
Y5A	0.0103 (5)	0.0103 (5)	0.0103 (5)	0.0003 (3)	−0.0003 (3)	−0.0003 (3)
Y5B	0.0103 (5)	0.0103 (5)	0.0103 (5)	0.0003 (3)	−0.0003 (3)	−0.0003 (3)

Geometric parameters (Å, º)

C1—C24	2.7774 (18)	C13A—C13E	1.98 (5)
C1—C26	2.8128 (8)	C13A—C31	2.05 (4)
C1—C4	2.9440 (8)	C13A—C17B	2.47 (4)
C1—C18A	2.964 (4)	C13B—C13D	0.57 (4)
C1—C17B	2.974 (18)	C13B—C13C	0.74 (2)
C1—Y3C^i	2.990 (17)	C13B—C13E	1.75 (5)
C1—C12A	3.0078 (14)	C13B—C31	1.87 (4)
C2—C24^ii	2.8206 (18)	C13B—C27C	2.410 (16)
C2—C24	2.8470 (19)	C13B—C27B	2.562 (10)
C2—C3^ii	2.9622 (8)	C13C—C13D	0.54 (3)
C2—C7B^ii	2.976 (4)	C13C—C13E	1.22 (6)
C2—C18A	2.981 (5)	C13C—C27C	1.81 (2)
C2—C6^ii	2.9873 (8)	C13C—C27B	2.10 (2)
C2—C6	3.0207 (9)	C13D—C13E	1.75 (6)
C2—C7A^ii	3.098 (10)	C13D—C31	1.78 (5)
C2—C22^ii	3.1012 (16)	C13D—C27C	1.92 (5)
C3—C11C	2.64 (5)	C13E—C27G^xiii	1.76 (6)
C3—C23A	2.8246 (18)	C13E—C14C^i	1.80 (6)
C3—C24^iii	2.8380 (18)	C13E—C16^iii	2.00 (5)
C3—C23B	2.92 (4)	C14A—C14B^i	0.81 (2)
C3—C11A	2.9515 (12)	C14A—C14C^i	1.72 (4)
C3—C10B	2.986 (9)	C14A—C28	1.73 (3)
C4—C23A	2.755 (2)	C14A—C31	2.71 (4)
C4—C26	2.884 (3)	C14A—C27F	2.77 (3)
C4—Y3C	2.950 (16)	C14A—C27C^xiv	2.853 (15)
C4—Y3C^i	2.998 (17)	C14B—C14C	1.21 (5)
C4—C4^i	3.0178 (9)	C14B—C28^iv	2.08 (4)
C4—C4^iv	3.0178 (9)	C14B—C27F^iv	2.11 (4)
C4—C20A	3.045 (5)	C14B—C27C^x	2.14 (2)
C5A—C5B	1.08 (6)	C14B—C16^xv	2.34 (2)
C5A—C23B^v	2.28 (6)	C14B—C27B^x	2.389 (18)
C5A—C5B^v	2.53 (6)	C14B—C27G^xvi	2.69 (5)
C5A—C23A	2.849 (2)	C14B—C27G^iv	2.75 (5)
C5A—C23A^v	2.886 (3)	C14B—C27A^x	2.83 (2)
C5A—C5A^v	2.9221 (6)	C14C—C27F^iv	1.75 (5)
C5A—C5A^vi	2.9222 (6)	C14C—C16^xv	1.94 (4)
C5A—C11A^v	2.9718 (12)	C14C—C21C^xvii	2.11 (5)
C5A—C23B	3.03 (5)	C14C—C27G^xvi	2.13 (6)
C5B—C23B^v	2.06 (8)	C14C—C27C^x	2.35 (4)
C5B—C20A^v	2.19 (6)	C14C—C27G^iv	2.38 (6)
C5B—C20B^v	2.44 (6)	C14C—Y4^xviii	2.39 (4)
C5B—Y5A^vii	2.52 (5)	C15—C29	1.57 (3)
C5B—C23A^v	2.61 (6)	C15—C31^iv	2.05 (4)
C5B—C5B^v	2.99 (8)	C15—C27A^iv	2.664 (10)
C5B—C5B^vi	2.99 (8)	C15—C18B	2.797 (12)
C5B—C11A^v	3.23 (5)	C15—C17B^iv	2.866 (19)
C6—C19C	2.688 (11)	C15—C27E^ix	2.88 (2)
C6—C8	2.9047 (11)	C16—C30	1.51 (5)
C6—C19B	2.976 (3)	C16—C21C^iv	2.57 (3)
C6—C24	3.042 (2)	C16—C27F^xix	2.73 (3)
C6—C6^ii	3.0872 (11)	C17A—C29^i	2.77 (3)
C6—C6^iii	3.0872 (11)	C17A—C30^i	2.79 (5)
C7A—C30^iii	2.57 (5)	C17B—C29^i	2.89 (4)
C7A—C29^iii	2.65 (3)	C17B—C24	2.97 (2)
C7A—C18B^iii	2.729 (16)	C18A—C19C	2.663 (15)
C7A—C16^iii	2.750 (10)	C18A—C19B	2.915 (6)
C7A—C10A^ii	2.799 (12)	C18A—C29	2.94 (3)
C7A—C13A	2.848 (12)	C18B—C29	2.64 (3)
C7A—C18A^iii	2.944 (13)	C18B—C19C	2.868 (19)
C7A—C10B^ii	3.005 (14)	C18B—C19B	3.087 (13)
C7A—C13B	3.062 (12)	C19A—C19B	0.74 (2)
C7B—C13A	2.727 (6)	C19A—C19C	1.04 (2)
C7B—C30^iii	2.87 (5)	C19A—C27D	1.78 (2)
C7B—C24	2.916 (10)	C19A—C27D^viii	2.18 (2)
C7B—C29^iii	2.93 (3)	C19A—C27E^ix	2.26 (3)
C7B—C10A^ii	2.944 (8)	C19A—C27E	2.45 (2)
C7B—C18B^iii	2.951 (14)	C19B—C27D	2.383 (15)
C7B—C13B	2.975 (7)	C19B—C31^iv	2.60 (4)
C7B—C16^iii	2.981 (8)	C19B—C27E^ix	2.689 (16)
C8—C19A	2.432 (17)	C19B—C28^iv	2.76 (3)
C8—C19A^viii	2.432 (17)	C19B—C27D^viii	2.827 (16)
C8—C19A^ix	2.432 (17)	C19C—C22	2.666 (12)
C8—C27D	2.839 (16)	C19C—C27D	2.758 (19)
C8—C27D^viii	2.839 (16)	C19C—C31^iv	2.84 (4)
C8—C27D^ix	2.839 (16)	C20A—C23B	2.69 (6)
C9A—C9C	1.20 (3)	C20A—C32^i	2.81 (4)
C9A—C32	1.52 (4)	C20A—C23A	3.161 (10)
C9A—C9E	1.83 (5)	C20B—C32^i	2.41 (6)
C9A—C9D	1.92 (5)	C20B—C23A^i	2.99 (3)
C9A—C28^iv	2.00 (3)	C20B—C28	3.08 (4)
C9A—C20B^iv	2.58 (3)	C20B—C23B	3.11 (7)
C9A—C10B	2.612 (8)	C20B—Y3A^xx	3.230 (19)
C9A—C27A^x	2.751 (12)	C21A—C21B	0.611 (9)
C9B—C9C	0.90 (3)	C21A—C21C^i	0.69 (3)
C9B—C9E	1.59 (5)	C21A—C21C^iv	0.69 (3)
C9B—C9D	1.66 (5)	C21A—C21C	0.69 (3)
C9B—C28^iv	1.82 (3)	C21A—C27G^xxi	2.27 (4)
C9B—C32	1.87 (4)	C21A—C27G^ii	2.27 (4)
C9B—C27A^x	2.389 (13)	C21A—C27G^xix	2.27 (4)
C9B—C27E	2.61 (2)	C21A—C27F^xix	2.42 (3)
C9C—C9D	0.77 (4)	C21A—C27F^ii	2.42 (3)
C9C—C9E	0.98 (6)	C21A—C27F^xxi	2.42 (3)
C9C—C27A^x	1.65 (3)	C21B—C21C	1.23 (4)
C9C—C27E	1.92 (4)	C21B—C21C^i	1.23 (4)
C9C—C27B^x	2.09 (3)	C21B—C21C^iv	1.23 (4)
C9D—C9E	0.86 (6)	C21B—C27G^ii	2.84 (4)
C9D—C27A^x	1.37 (4)	C21B—C27G^xxi	2.84 (4)
C9D—C15^viii	1.62 (4)	C21C—C21C^i	0.77 (6)
C9D—C27E	1.66 (4)	C21C—C21C^iv	0.77 (6)
C9D—C27B^x	1.82 (4)	C21C—C27G^xix	1.72 (5)
C9E—C27A^x	1.78 (5)	C21C—C27G^ii	1.74 (5)
C9E—C27E	1.79 (5)	C21C—C27F^ii	1.77 (5)
C9E—C15^viii	1.92 (5)	C21C—C27G^xxi	2.02 (5)
C10A—C32	1.74 (4)	C21C—C27F^xix	2.07 (5)
C10A—C29^viii	1.80 (3)	C21C—C27F^xxi	2.11 (5)
C10A—C30^viii	2.62 (5)	C22—C32	2.80 (4)
C10A—C11B^v	2.668 (13)	C22—C25	2.970 (3)
C10A—C15^viii	2.913 (5)	C23A—C23B	0.80 (7)
C10A—C11A^v	2.964 (7)	C23A—C32	2.52 (4)
C10B—C32	1.40 (4)	C26—Y3C^i	2.89 (2)
C10B—C29^viii	1.99 (3)	C26—Y3C^iv	2.89 (2)
C10B—C23A	2.928 (10)	C26—Y3C	2.89 (2)
C10B—C15^viii	2.940 (10)	C27A—C27E^xxii	0.624 (15)
C10B—C30^viii	2.95 (5)	C27A—C27B	0.779 (17)
C10B—C11B^v	2.949 (14)	C27A—C27C	1.47 (2)
C11A—C11C	0.94 (6)	C27A—C27D^i	1.557 (19)
C11A—C30^xi	2.15 (5)	C27A—Y6^xxii	1.824 (12)
C11A—C23B	2.40 (6)	C27A—C27D^xxii	2.18 (2)
C11A—C14A	2.8890 (14)	C27B—C27C	0.700 (12)
C11A—C16^xi	2.9859 (14)	C27B—C27E^xxii	1.31 (2)
C11B—C11C	0.85 (6)	C27B—Y6^xxii	1.704 (5)
C11B—C30^xi	1.73 (5)	C27B—C27F^xiii	1.74 (3)
C11B—C29^xi	2.62 (3)	C27B—C27G^xiii	1.82 (4)
C11B—C16^xi	2.710 (11)	C27C—C27F^xiii	1.18 (4)
C11B—C17A^iii	2.781 (15)	C27C—C27G^xiii	1.22 (4)
C11B—C23B	2.80 (7)	C27C—Y6^xxii	1.777 (16)
C11B—C14A	3.078 (11)	C27D—C27E^ix	0.94 (2)
C11C—C30^xi	1.91 (7)	C27D—C27D^ix	1.06 (3)
C11C—C17A^iii	2.27 (5)	C27D—C27D^viii	1.06 (3)
C11C—Y4^xii	2.59 (5)	C27D—C27E	1.66 (3)
C11C—C17B^iii	2.60 (7)	C27D—Y6	1.80 (2)
C11C—C16^xi	2.77 (5)	C27D—C27E^viii	1.91 (3)
C11C—C14C^i	2.94 (7)	C27E—Y6	1.729 (19)
C12A—C12B^iv	0.503 (12)	C27F—C27G	0.86 (4)
C12A—C21B	2.531 (6)	C27F—C27G^xiii	0.93 (4)
C12A—C30	2.83 (5)	C27F—C27F^xiii	1.62 (5)
C12A—C16	2.8959 (17)	C27F—C27F^xiv	1.62 (5)
C12A—C18B	2.926 (13)	C27F—C27G^xiv	1.77 (4)
C12A—C26	2.937 (4)	C27F—Y6^xxii	1.79 (3)
C12A—Y3C	2.937 (17)	C27G—C27G^xiii	1.44 (6)
C12B—C30^i	2.46 (5)	C27G—C27G^xiv	1.44 (6)
C12B—C18B^i	2.596 (18)	C27G—Y6^xxii	1.85 (4)
C12B—C17A	2.721 (11)	Y1—C32^xxiii	3.30 (4)
C12B—C16^i	2.748 (11)	Y3A—Y3C^xiv	0.73 (2)
C12B—Y3C^i	2.853 (18)	Y3A—C31^xxiv	2.33 (4)
C12B—C18A^i	2.863 (14)	Y3A—C28^xxiv	2.38 (3)
C12B—C17B	2.87 (3)	Y3C—C31^iv	3.03 (5)
C12B—C21B	2.928 (12)	C28—C31	1.52 (5)
C13A—C13D	0.95 (5)	C29—C30	1.87 (6)
C13A—C13C	1.09 (2)
C24—C1—C26	179.38 (6)	C18A—C19C—C31^iv	88.6 (9)
C24—C1—C4	119.68 (4)	C22—C19C—C31^iv	104.6 (10)
C26—C1—C4	60.09 (8)	C6—C19C—C31^iv	164.6 (10)
C24—C1—C18A	62.46 (17)	C27D—C19C—C31^iv	65.9 (9)
C26—C1—C18A	118.16 (17)	C5B^vi—C20A—C23B	48.7 (17)
C4—C1—C18A	119.42 (8)	C5B^vi—C20A—C32^i	112.3 (17)
C24—C1—C17B	62.1 (4)	C23B—C20A—C32^i	156.6 (15)
C26—C1—C17B	117.4 (4)	C5B^vi—C20A—C9A^i	133.0 (15)
C4—C1—C17B	118.2 (8)	C23B—C20A—C9A^i	147.8 (12)
C18A—C1—C17B	113.6 (5)	C32^i—C20A—C9A^i	30.9 (8)
C24—C1—Y3C^i	119.8 (4)	C5B^vi—C20A—C14A	116.9 (14)
C26—C1—Y3C^i	59.6 (4)	C23B—C20A—C14A	89.8 (11)
C4—C1—Y3C^i	60.7 (3)	C32^i—C20A—C14A	89.0 (8)
C18A—C1—Y3C^i	177.6 (4)	C9A^i—C20A—C14A	60.11 (11)
C17B—C1—Y3C^i	67.7 (6)	C5B^vi—C20A—C4	96.8 (15)
C24—C1—C12A	120.06 (7)	C23B—C20A—C4	65.2 (14)
C26—C1—C12A	60.49 (8)	C32^i—C20A—C4	137.4 (8)
C4—C1—C12A	108.66 (3)	C9A^i—C20A—C4	130.09 (17)
C18A—C1—C12A	64.0 (2)	C14A—C20A—C4	105.40 (15)
C17B—C1—C12A	121.9 (9)	C5B^vi—C20A—C5A^vi	13.0 (14)
Y3C^i—C1—C12A	113.6 (4)	C23B—C20A—C5A^vi	45.8 (11)
C24^ii—C2—C24	178.41 (7)	C32^i—C20A—C5A^vi	112.2 (8)
C24^ii—C2—C3^ii	120.53 (4)	C9A^i—C20A—C5A^vi	126.47 (14)
C24—C2—C3^ii	58.45 (4)	C14A—C20A—C5A^vi	104.07 (16)
C24^ii—C2—C7B^ii	60.32 (18)	C4—C20A—C5A^vi	103.0 (2)
C24—C2—C7B^ii	118.95 (18)	C5B^vi—C20A—C9B^i	133.9 (15)
C3^ii—C2—C7B^ii	123.00 (7)	C23B—C20A—C9B^i	142.9 (12)
C24^ii—C2—C18A	118.53 (16)	C32^i—C20A—C9B^i	35.9 (8)
C24—C2—C18A	61.48 (15)	C9A^i—C20A—C9B^i	5.33 (18)
C3^ii—C2—C18A	109.67 (8)	C14A—C20A—C9B^i	54.79 (14)
C7B^ii—C2—C18A	63.6 (3)	C4—C20A—C9B^i	129.31 (19)
C24^ii—C2—C6^ii	63.10 (4)	C5A^vi—C20A—C9B^i	126.01 (18)
C24—C2—C6^ii	118.41 (4)	C5B^vi—C20A—C23A	54.9 (15)
C3^ii—C2—C6^ii	121.71 (2)	C23B—C20A—C23A	12.7 (14)
C7B^ii—C2—C6^ii	108.49 (11)	C32^i—C20A—C23A	167.1 (8)
C18A—C2—C6^ii	116.77 (9)	C9A^i—C20A—C23A	155.78 (17)
C24^ii—C2—C6	119.18 (4)	C14A—C20A—C23A	95.7 (2)
C24—C2—C6	62.38 (4)	C4—C20A—C23A	52.67 (14)
C3^ii—C2—C6	109.08 (2)	C5A^vi—C20A—C23A	54.93 (15)
C7B^ii—C2—C6	117.69 (12)	C9B^i—C20A—C23A	150.5 (2)
C18A—C2—C6	68.70 (16)	C32^i—C20B—C5B^vi	118.3 (18)
C6^ii—C2—C6	61.84 (3)	C32^i—C20B—C9A^i	35.4 (11)
C24^ii—C2—C7A^ii	65.9 (2)	C5B^vi—C20B—C9A^i	137.9 (15)
C24—C2—C7A^ii	113.4 (2)	C32^i—C20B—C9B^i	40.5 (11)
C3^ii—C2—C7A^ii	122.47 (19)	C5B^vi—C20B—C9B^i	137.4 (15)
C7B^ii—C2—C7A^ii	5.83 (17)	C9A^i—C20B—C9B^i	5.4 (2)
C18A—C2—C7A^ii	57.9 (3)	C32^i—C20B—C23A^i	54.4 (12)
C6^ii—C2—C7A^ii	111.49 (19)	C5B^vi—C20B—C23A^i	94.2 (14)
C6—C2—C7A^ii	114.2 (2)	C9A^i—C20B—C23A^i	86.7 (12)
C24^ii—C2—C22^ii	63.58 (5)	C9B^i—C20B—C23A^i	92.1 (12)
C24—C2—C22^ii	116.21 (5)	C32^i—C20B—C14A	95.5 (12)
C3^ii—C2—C22^ii	65.03 (4)	C5B^vi—C20B—C14A	106.8 (17)
C7B^ii—C2—C22^ii	115.08 (18)	C9A^i—C20B—C14A	62.7 (4)
C18A—C2—C22^ii	173.25 (9)	C9B^i—C20B—C14A	57.3 (4)
C6^ii—C2—C22^ii	69.98 (4)	C23A^i—C20B—C14A	149.3 (14)
C6—C2—C22^ii	116.47 (4)	C32^i—C20B—C4^i	91.6 (15)
C7A^ii—C2—C22^ii	120.6 (2)	C5B^vi—C20B—C4^i	111.8 (14)
C11C—C3—C23A	82.0 (12)	C9A^i—C20B—C4^i	102.7 (12)
C11C—C3—C24^iii	100.2 (12)	C9B^i—C20B—C4^i	106.0 (11)
C23A—C3—C24^iii	177.69 (8)	C23A^i—C20B—C4^i	54.3 (5)
C11C—C3—C23B	66.3 (19)	C14A—C20B—C4^i	131.2 (6)
C23A—C3—C23B	15.9 (14)	C32^i—C20B—C28	75.4 (13)
C24^iii—C3—C23B	166.3 (14)	C5B^vi—C20B—C28	139.4 (18)
C11C—C3—C11A	18.2 (12)	C9A^i—C20B—C28	40.2 (6)
C23A—C3—C11A	63.96 (7)	C9B^i—C20B—C28	35.5 (6)
C24^iii—C3—C11A	118.27 (5)	C23A^i—C20B—C28	121.2 (14)
C23B—C3—C11A	48.1 (14)	C14A—C20B—C28	32.8 (6)
C11C—C3—C2^iii	110.9 (12)	C4^i—C20B—C28	105.3 (9)
C23A—C3—C2^iii	120.97 (5)	C32^i—C20B—C23B	154.6 (17)
C24^iii—C3—C2^iii	58.74 (4)	C5B^vi—C20B—C23B	41.4 (17)
C23B—C3—C2^iii	126.7 (8)	C9A^i—C20B—C23B	142.2 (14)
C11A—C3—C2^iii	121.26 (3)	C9B^i—C20B—C23B	137.0 (14)
C11C—C3—C10B	125.1 (12)	C23A^i—C20B—C23B	128.2 (11)
C23A—C3—C10B	60.44 (19)	C14A—C20B—C23B	81.1 (13)
C24^iii—C3—C10B	117.55 (19)	C4^i—C20B—C23B	109.7 (15)
C23B—C3—C10B	71.6 (13)	C28—C20B—C23B	110.4 (14)
C11A—C3—C10B	109.98 (18)	C32^i—C20B—Y3A^xx	95.1 (14)
C2^iii—C3—C10B	122.28 (16)	C5B^vi—C20B—Y3A^xx	147 (2)
C23A—C4—C26	177.54 (6)	C9A^i—C20B—Y3A^xx	70.1 (6)
C23A—C4—C1	123.71 (4)	C9B^i—C20B—Y3A^xx	68.3 (5)
C26—C4—C1	57.70 (5)	C23A^i—C20B—Y3A^xx	107.5 (10)
C23A—C4—Y3C	119.1 (4)	C14A—C20B—Y3A^xx	65.8 (4)
C26—C4—Y3C	59.3 (4)	C4^i—C20B—Y3A^xx	65.5 (4)
C1—C4—Y3C	61.5 (3)	C28—C20B—Y3A^xx	44.1 (6)
C23A—C4—Y3C^i	123.5 (4)	C23B—C20B—Y3A^xx	106.2 (13)
C26—C4—Y3C^i	58.8 (4)	C21B—C21A—C21C^i	140 (3)
C1—C4—Y3C^i	60.4 (3)	C21B—C21A—C21C^iv	140 (3)
Y3C—C4—Y3C^i	110.3 (7)	C21C^i—C21A—C21C^iv	67 (5)
C23A—C4—C4^i	121.58 (6)	C21B—C21A—C21C	140 (3)
C26—C4—C4^i	58.46 (4)	C21C^i—C21A—C21C	67 (5)
C1—C4—C4^i	107.043 (17)	C21C^iv—C21A—C21C	67 (5)
Y3C—C4—C4^i	108.9 (4)	C21B—C21A—C27G^xxi	158.6 (9)
Y3C^i—C4—C4^i	58.7 (3)	C21C^i—C21A—C27G^xxi	35 (3)
C23A—C4—C4^iv	119.23 (5)	C21C^iv—C21A—C27G^xxi	32 (3)
C26—C4—C4^iv	58.46 (4)	C21C—C21A—C27G^xxi	61 (3)
C1—C4—C4^iv	108.309 (16)	C21B—C21A—C27G^ii	158.6 (9)
Y3C—C4—C4^iv	60.3 (3)	C21C^i—C21A—C27G^ii	32 (3)
Y3C^i—C4—C4^iv	107.6 (3)	C21C^iv—C21A—C27G^ii	61 (3)
C4^i—C4—C4^iv	60.0	C21C—C21A—C27G^ii	35 (3)
C23A—C4—C20A	65.82 (16)	C27G^xxi—C21A—C27G^ii	36.9 (16)
C26—C4—C20A	115.48 (16)	C21B—C21A—C27G^xix	158.6 (9)
C1—C4—C20A	121.73 (6)	C21C^i—C21A—C27G^xix	61 (3)
Y3C—C4—C20A	172.3 (4)	C21C^iv—C21A—C27G^xix	35 (3)
Y3C^i—C4—C20A	68.5 (4)	C21C—C21A—C27G^xix	32 (3)
C4^i—C4—C20A	63.75 (15)	C27G^xxi—C21A—C27G^xix	36.9 (16)
C4^iv—C4—C20A	112.38 (9)	C27G^ii—C21A—C27G^xix	36.9 (16)
C5B—C5A—C23B^v	65 (3)	C21B—C21A—C27F^xix	157.3 (7)
C5B—C5A—C5B^v	104 (4)	C21C^i—C21A—C27F^xix	56 (3)
C23B^v—C5A—C5B^v	91 (2)	C21C^iv—C21A—C27F^xix	17 (3)
C5B—C5A—C23A	119 (3)	C21C—C21A—C27F^xix	52 (3)
C23B^v—C5A—C23A	171.1 (15)	C27G^xxi—C21A—C27F^xix	22.5 (10)
C5B^v—C5A—C23A	95.7 (13)	C27G^ii—C21A—C27F^xix	44.1 (10)
C5B—C5A—C23A^v	65 (3)	C27G^xix—C21A—C27F^xix	20.8 (10)
C23B^v—C5A—C23A^v	11.7 (16)	C21B—C21A—C27F^ii	157.3 (7)
C5B^v—C5A—C23A^v	80.1 (13)	C21C^i—C21A—C27F^ii	52 (3)
C23A—C5A—C23A^v	175.44 (9)	C21C^iv—C21A—C27F^ii	56 (3)
C5B—C5A—C5A^v	93 (3)	C21C—C21A—C27F^ii	17 (3)
C23B^v—C5A—C5A^v	69.9 (16)	C27G^xxi—C21A—C27F^ii	44.1 (10)
C5B^v—C5A—C5A^v	21.4 (13)	C27G^ii—C21A—C27F^ii	20.8 (10)
C23A—C5A—C5A^v	117.12 (5)	C27G^xix—C21A—C27F^ii	22.5 (10)
C23A^v—C5A—C5A^v	58.76 (6)	C27F^xix—C21A—C27F^ii	39.0 (12)
C5B—C5A—C5A^vi	59 (3)	C21B—C21A—C27F^xxi	157.3 (7)
C23B^v—C5A—C5A^vi	122.5 (10)	C21C^i—C21A—C27F^xxi	17 (3)
C5B^v—C5A—C5A^vi	109.9 (12)	C21C^iv—C21A—C27F^xxi	52 (3)
C23A—C5A—C5A^vi	59.99 (7)	C21C—C21A—C27F^xxi	56 (3)
C23A^v—C5A—C5A^vi	123.20 (5)	C27G^xxi—C21A—C27F^xxi	20.8 (10)
C5A^v—C5A—C5A^vi	119.878 (3)	C27G^ii—C21A—C27F^xxi	22.5 (10)
C5B—C5A—C11A^v	94 (3)	C27G^xix—C21A—C27F^xxi	44.1 (10)
C23B^v—C5A—C11A^v	52.3 (15)	C27F^xix—C21A—C27F^xxi	39.0 (12)
C5B^v—C5A—C11A^v	126.6 (12)	C27F^ii—C21A—C27F^xxi	39.0 (12)
C23A—C5A—C11A^v	118.80 (5)	C21A—C21B—C21C	21.2 (18)
C23A^v—C5A—C11A^v	62.99 (5)	C21A—C21B—C21C^i	21.2 (17)
C5A^v—C5A—C11A^v	110.45 (3)	C21C—C21B—C21C^i	36 (3)
C5A^vi—C5A—C11A^v	122.21 (3)	C21A—C21B—C21C^iv	21.2 (18)
C5B—C5A—C23B	104 (3)	C21C—C21B—C21C^iv	36 (3)
C23B^v—C5A—C23B	164 (2)	C21C^i—C21B—C21C^iv	36 (3)
C5B^v—C5A—C23B	103.1 (15)	C21A—C21B—C12A	128.93 (13)
C23A—C5A—C23B	15.2 (13)	C21C—C21B—C12A	125.3 (16)
C23A^v—C5A—C23B	168.2 (13)	C21C^i—C21B—C12A	146.4 (17)
C5A^v—C5A—C23B	124.0 (8)	C21C^iv—C21B—C12A	110.3 (17)
C5A^vi—C5A—C23B	45.0 (13)	C21A—C21B—C12A^iv	128.93 (13)
C11A^v—C5A—C23B	121.0 (8)	C21C—C21B—C12A^iv	146.4 (17)
C5A—C5B—C23B^v	87 (3)	C21C^i—C21B—C12A^iv	110.3 (17)
C5A—C5B—C20A^v	140 (4)	C21C^iv—C21B—C12A^iv	125.3 (16)
C23B^v—C5B—C20A^v	79 (2)	C12A—C21B—C12A^iv	84.7 (2)
C5A—C5B—C20B^v	142 (4)	C21A—C21B—C12A^i	128.93 (14)
C23B^v—C5B—C20B^v	87 (2)	C21C—C21B—C12A^i	110.3 (17)
C20A^v—C5B—C20B^v	8.4 (7)	C21C^i—C21B—C12A^i	125.3 (16)
C5A—C5B—Y5A^vii	134 (4)	C21C^iv—C21B—C12A^i	146.4 (17)
C23B^v—C5B—Y5A^vii	97 (3)	C12A—C21B—C12A^i	84.7 (2)
C20A^v—C5B—Y5A^vii	84.9 (19)	C12A^iv—C21B—C12A^i	84.7 (2)
C20B^v—C5B—Y5A^vii	83.9 (18)	C21A—C21B—C27G^ii	16.9 (8)
C5A—C5B—C5A^vi	100 (3)	C21C—C21B—C27G^ii	20.0 (18)
C23B^v—C5B—C5A^vi	168 (3)	C21C^i—C21B—C27G^ii	18.2 (19)
C20A^v—C5B—C5A^vi	90.0 (19)	C21C^iv—C21B—C27G^ii	38.1 (19)
C20B^v—C5B—C5A^vi	81.6 (19)	C12A—C21B—C27G^ii	143.2 (8)
Y5A^vii—C5B—C5A^vi	85.1 (17)	C12A^iv—C21B—C27G^ii	126.5 (9)
C5A—C5B—C23A^v	93 (3)	C12A^i—C21B—C27G^ii	114.1 (8)
C23B^v—C5B—C23A^v	14.3 (19)	C21A—C21B—C27G^xxi	16.9 (8)
C20A^v—C5B—C23A^v	81.9 (18)	C21C—C21B—C27G^xxi	38.1 (19)
C20B^v—C5B—C23A^v	90 (2)	C21C^i—C21B—C27G^xxi	20.1 (18)
Y5A^vii—C5B—C23A^v	83.1 (16)	C21C^iv—C21B—C27G^xxi	18.2 (19)
C5A^vi—C5B—C23A^v	166 (2)	C12A—C21B—C27G^xxi	126.5 (9)
C5A—C5B—C5B^v	55 (3)	C12A^iv—C21B—C27G^xxi	114.1 (8)
C23B^v—C5B—C5B^v	84 (2)	C12A^i—C21B—C27G^xxi	143.2 (8)
C20A^v—C5B—C5B^v	155 (3)	C27G^ii—C21B—C27G^xxi	29.2 (13)
C20B^v—C5B—C5B^v	160 (3)	C21A—C21C—C21C^i	56 (3)
Y5A^vii—C5B—C5B^v	79.7 (6)	C21A—C21C—C21C^iv	56 (3)
C5A^vi—C5B—C5B^v	108 (2)	C21C^i—C21C—C21C^iv	60.00 (2)
C23A^v—C5B—C5B^v	77.0 (17)	C21A—C21C—C21B	18.5 (16)
C5A—C5B—C5B^vi	90 (4)	C21C^i—C21C—C21B	71.8 (15)
C23B^v—C5B—C5B^vi	171 (3)	C21C^iv—C21C—C21B	71.8 (15)
C20A^v—C5B—C5B^vi	109 (2)	C21A—C21C—C27G^xix	135 (4)
C20B^v—C5B—C5B^vi	101 (2)	C21C^i—C21C—C27G^xix	102 (2)
Y5A^vii—C5B—C5B^vi	79.7 (6)	C21C^iv—C21C—C27G^xix	79 (3)
C5A^vi—C5B—C5B^vi	20.5 (12)	C21B—C21C—C27G^xix	149 (3)
C23A^v—C5B—C5B^vi	158.5 (18)	C21A—C21C—C27G^ii	132 (4)
C5B^v—C5B—C5B^vi	87 (3)	C21C^i—C21C—C27G^ii	76 (3)
C5A—C5B—C5A^v	67 (3)	C21C^iv—C21C—C27G^ii	100 (2)
C23B^v—C5B—C5A^v	67 (2)	C21B—C21C—C27G^ii	146 (3)
C20A^v—C5B—C5A^v	136 (2)	C27G^xix—C21C—C27G^ii	49 (2)
C20B^v—C5B—C5A^v	142 (2)	C21A—C21C—C27F^ii	156 (4)
Y5A^vii—C5B—C5A^v	72.9 (13)	C21C^i—C21C—C27F^ii	102 (2)
C5A^vi—C5B—C5A^v	124.5 (19)	C21C^iv—C21C—C27F^ii	105.3 (17)
C23A^v—C5B—C5A^v	58.1 (11)	C21B—C21C—C27F^ii	174 (3)
C5B^v—C5B—C5A^v	20.0 (10)	C27G^xix—C21C—C27F^ii	30.8 (14)
C5B^vi—C5B—C5A^v	104.2 (17)	C27G^ii—C21C—C27F^ii	28.3 (14)
C5A—C5B—C11A^v	67 (3)	C21A—C21C—C27G^xxi	101 (4)
C23B^v—C5B—C11A^v	48 (2)	C21C^i—C21C—C27G^xxi	57.9 (17)
C20A^v—C5B—C11A^v	76.2 (15)	C21C^iv—C21C—C27G^xxi	56.3 (16)
C20B^v—C5B—C11A^v	81.8 (16)	C21B—C21C—C27G^xxi	120 (3)
Y5A^vii—C5B—C11A^v	142 (2)	C27G^xix—C21C—C27G^xxi	44 (2)
C5A^vi—C5B—C11A^v	127 (2)	C27G^ii—C21C—C27G^xxi	44 (2)
C23A^v—C5B—C11A^v	62.2 (11)	C27F^ii—C21C—C27G^xxi	55.0 (16)
C5B^v—C5B—C11A^v	104.6 (19)	C21A—C21C—C27F^xix	112 (4)
C5B^vi—C5B—C11A^v	137 (2)	C21C^i—C21C—C27F^xix	82 (2)
C5A^v—C5B—C11A^v	98.3 (15)	C21C^iv—C21C—C27F^xix	56.6 (17)
C19C—C6—C8	66.8 (3)	C21B—C21C—C27F^xix	128 (3)
C19C—C6—C19B	5.5 (3)	C27G^xix—C21C—C27F^xix	24.0 (14)
C8—C6—C19B	61.42 (7)	C27G^ii—C21C—C27F^xix	54.3 (17)
C19C—C6—C2^iii	104.1 (3)	C27F^ii—C21C—C27F^xix	49.0 (18)
C8—C6—C2^iii	127.79 (3)	C27G^xxi—C21C—C27F^xix	26.2 (12)
C19B—C6—C2^iii	107.91 (6)	C21A—C21C—C27F^xxi	109 (4)
C19C—C6—C2	103.6 (3)	C21C^i—C21C—C27F^xxi	54.1 (14)
C8—C6—C2	126.48 (2)	C21C^iv—C21C—C27F^xxi	77 (2)
C19B—C6—C2	105.80 (7)	C21B—C21C—C27F^xxi	126 (2)
C2^iii—C6—C2	105.73 (2)	C27G^xix—C21C—C27F^xxi	53.8 (17)
C19C—C6—C24	91.6 (3)	C27G^ii—C21C—C27F^xxi	25.7 (14)
C8—C6—C24	158.39 (5)	C27F^ii—C21C—C27F^xxi	48.3 (18)
C19B—C6—C24	96.97 (7)	C27G^xxi—C21C—C27F^xxi	23.9 (12)
C2^iii—C6—C24	55.77 (4)	C27F^xix—C21C—C27F^xxi	45.5 (15)
C2—C6—C24	56.01 (4)	C19C—C22—C32	95.9 (9)
C19C—C6—C6^ii	126.4 (3)	C19C—C22—C9A	66.5 (3)
C8—C6—C6^ii	84.43 (2)	C32—C22—C9A	31.3 (8)
C19B—C6—C6^ii	123.06 (6)	C19C—C22—C19B	5.4 (3)
C2^iii—C6—C6^ii	128.83 (4)	C32—C22—C19B	90.8 (8)
C2—C6—C6^ii	58.55 (2)	C9A—C22—C19B	61.17 (9)
C24—C6—C6^ii	109.71 (4)	C19C—C22—C25	156.2 (3)
C19C—C6—C6^iii	126.8 (3)	C32—C22—C25	107.4 (8)
C8—C6—C6^iii	84.43 (2)	C9A—C22—C25	137.32 (10)
C19B—C6—C6^iii	125.03 (7)	C19B—C22—C25	161.52 (10)
C2^iii—C6—C6^iii	59.61 (2)	C19C—C22—C9B	60.3 (3)
C2—C6—C6^iii	129.12 (4)	C32—C22—C9B	36.9 (8)
C24—C6—C6^iii	110.58 (5)	C9A—C22—C9B	6.20 (16)
C6^ii—C6—C6^iii	91.58 (3)	C19B—C22—C9B	55.00 (13)
C30^iii—C7A—C29^iii	41.9 (13)	C25—C22—C9B	143.48 (14)
C30^iii—C7A—C18B^iii	76.5 (12)	C19C—C22—C2^iii	101.6 (3)
C29^iii—C7A—C18B^iii	58.8 (8)	C32—C22—C2^iii	113.8 (8)
C30^iii—C7A—C16^iii	32.8 (11)	C9A—C22—C2^iii	128.21 (11)
C29^iii—C7A—C16^iii	74.4 (7)	C19B—C22—C2^iii	105.40 (8)
C18B^iii—C7A—C16^iii	90.0 (4)	C25—C22—C2^iii	64.53 (5)
C30^iii—C7A—C10A^ii	58.2 (11)	C9B—C22—C2^iii	127.00 (16)
C29^iii—C7A—C10A^ii	38.5 (7)	C23B—C23A—C32	154 (3)
C18B^iii—C7A—C10A^ii	94.9 (4)	C23B—C23A—C5B^vi	40 (3)
C16^iii—C7A—C10A^ii	85.8 (3)	C32—C23A—C5B^vi	145.8 (15)
C30^iii—C7A—C13A	98.5 (11)	C23B—C23A—C4	109 (3)
C29^iii—C7A—C13A	139.8 (8)	C32—C23A—C4	96.4 (9)
C18B^iii—C7A—C13A	131.1 (4)	C5B^vi—C23A—C4	94.8 (12)
C16^iii—C7A—C13A	67.4 (2)	C23B—C23A—C3	89 (3)
C10A^ii—C7A—C13A	124.1 (4)	C32—C23A—C3	74.3 (9)
C30^iii—C7A—C18A^iii	82.2 (11)	C5B^vi—C23A—C3	127.7 (12)
C29^iii—C7A—C18A^iii	63.2 (7)	C4—C23A—C3	116.41 (7)
C18B^iii—C7A—C18A^iii	5.7 (2)	C23B—C23A—C5A	95 (3)
C16^iii—C7A—C18A^iii	94.9 (3)	C32—C23A—C5A	75.8 (9)
C10A^ii—C7A—C18A^iii	98.1 (4)	C5B^vi—C23A—C5A	70.8 (12)
C13A—C7A—C18A^iii	130.8 (4)	C4—C23A—C5A	121.71 (8)
C30^iii—C7A—C10B^ii	63.3 (11)	C3—C23A—C5A	116.39 (7)
C29^iii—C7A—C10B^ii	40.6 (7)	C23B—C23A—C5A^vi	35 (3)
C18B^iii—C7A—C10B^ii	94.9 (5)	C32—C23A—C5A^vi	134.9 (9)
C16^iii—C7A—C10B^ii	91.2 (3)	C5B^vi—C23A—C5A^vi	22.0 (12)
C10A^ii—C7A—C10B^ii	5.4 (2)	C4—C23A—C5A^vi	116.79 (8)
C13A—C7A—C10B^ii	126.8 (4)	C3—C23A—C5A^vi	111.91 (9)
C18A^iii—C7A—C10B^ii	97.7 (4)	C5A—C23A—C5A^vi	61.26 (4)
C30^iii—C7A—C13B	91.8 (11)	C23A—C23B—C5B^vi	126 (4)
C29^iii—C7A—C13B	133.2 (8)	C23A—C23B—C5A^vi	133 (4)
C18B^iii—C7A—C13B	128.9 (4)	C5B^vi—C23B—C5A^vi	28.3 (17)
C16^iii—C7A—C13B	60.7 (2)	C23A—C23B—C11A	141 (4)
C10A^ii—C7A—C13B	120.8 (4)	C5B^vi—C23B—C11A	93 (3)
C13A—C7A—C13B	6.77 (18)	C5A^vi—C23B—C11A	79 (2)
C18A^iii—C7A—C13B	129.5 (4)	C23A—C23B—C20A	119 (3)
C10B^ii—C7A—C13B	124.0 (4)	C5B^vi—C23B—C20A	53 (2)
C30^iii—C7A—C2^iii	139.4 (12)	C5A^vi—C23B—C20A	76.5 (18)
C29^iii—C7A—C2^iii	116.9 (8)	C11A—C23B—C20A	85 (2)
C18B^iii—C7A—C2^iii	64.6 (3)	C23A—C23B—C11B	142 (4)
C16^iii—C7A—C2^iii	131.9 (4)	C5B^vi—C23B—C11B	91 (3)
C10A^ii—C7A—C2^iii	133.6 (4)	C5A^vi—C23B—C11B	76 (2)
C13A—C7A—C2^iii	98.2 (3)	C11A—C23B—C11B	4.7 (3)
C18A^iii—C7A—C2^iii	59.1 (2)	C20A—C23B—C11B	88 (2)
C10B^ii—C7A—C2^iii	129.0 (4)	C23A—C23B—C3	75 (3)
C13B—C7A—C2^iii	103.2 (4)	C5B^vi—C23B—C3	156 (3)
C13A—C7B—C30^iii	94.4 (10)	C5A^vi—C23B—C3	130.4 (19)
C13A—C7B—C24	89.9 (3)	C11A—C23B—C3	66.5 (10)
C30^iii—C7B—C24	169.1 (10)	C20A—C23B—C3	131.0 (17)
C13A—C7B—C29^iii	131.8 (7)	C11B—C23B—C3	67.0 (10)
C30^iii—C7B—C29^iii	37.6 (12)	C1—C24—C2^iii	118.46 (6)
C24—C7B—C29^iii	136.4 (6)	C1—C24—C3^ii	116.55 (6)
C13A—C7B—C10A^ii	123.2 (2)	C2^iii—C24—C3^ii	116.96 (6)
C30^iii—C7B—C10A^ii	53.5 (10)	C1—C24—C2	114.54 (7)
C24—C7B—C10A^ii	116.0 (2)	C2^iii—C24—C2	115.37 (6)
C29^iii—C7B—C10A^ii	35.7 (6)	C3^ii—C24—C2	62.80 (4)
C13A—C7B—C18B^iii	126.8 (3)	C1—C24—C7B	123.24 (11)
C30^iii—C7B—C18B^iii	68.6 (10)	C2^iii—C24—C7B	62.48 (9)
C24—C7B—C18B^iii	116.4 (3)	C3^ii—C24—C7B	63.00 (8)
C29^iii—C7B—C18B^iii	53.4 (7)	C2—C24—C7B	112.96 (10)
C10A^ii—C7B—C18B^iii	87.4 (3)	C1—C24—C17B	62.2 (3)
C13A—C7B—C13B	6.54 (19)	C2^iii—C24—C17B	118.8 (8)
C30^iii—C7B—C13B	87.9 (10)	C3^ii—C24—C17B	65.7 (6)
C24—C7B—C13B	96.3 (3)	C2—C24—C17B	117.0 (8)
C29^iii—C7B—C13B	125.3 (7)	C7B—C24—C17B	69.7 (5)
C10A^ii—C7B—C13B	118.9 (2)	C1—C24—C18A	61.84 (9)
C18B^iii—C7B—C13B	123.7 (3)	C2^iii—C24—C18A	118.23 (14)
C13A—C7B—C2^iii	104.0 (2)	C3^ii—C24—C18A	113.19 (12)
C30^iii—C7B—C2^iii	130.8 (10)	C2—C24—C18A	61.47 (7)
C24—C7B—C2^iii	57.19 (14)	C7B—C24—C18A	174.37 (12)
C29^iii—C7B—C2^iii	112.2 (6)	C17B—C24—C18A	113.1 (6)
C10A^ii—C7B—C2^iii	132.69 (19)	C1—C24—C17A	62.29 (5)
C18B^iii—C7B—C2^iii	63.7 (3)	C2^iii—C24—C17A	125.1 (2)
C13B—C7B—C2^iii	108.3 (2)	C3^ii—C24—C17A	61.89 (13)
C13A—C7B—C16^iii	65.80 (12)	C2—C24—C17A	110.7 (2)
C30^iii—C7B—C16^iii	29.9 (10)	C7B—C24—C17A	73.24 (16)
C24—C7B—C16^iii	155.6 (2)	C17B—C24—C17A	6.6 (7)
C29^iii—C7B—C16^iii	67.1 (7)	C18A—C24—C17A	109.05 (19)
C10A^ii—C7B—C16^iii	79.3 (3)	C13A—C25—C14A	61.08 (8)
C18B^iii—C7B—C16^iii	81.6 (3)	C13A—C25—C22	140.26 (12)
C13B—C7B—C16^iii	59.32 (16)	C14A—C25—C22	158.64 (11)
C2^iii—C7B—C16^iii	127.44 (19)	C13A—C25—C13B	5.45 (16)
C19A—C8—C19A^viii	80.2 (7)	C14A—C25—C13B	55.65 (11)
C19A—C8—C19A^ix	80.2 (7)	C22—C25—C13B	145.68 (14)
C19A^viii—C8—C19A^ix	80.2 (7)	C13A—C25—C4	130.45 (12)
C19A—C8—C27D	38.4 (5)	C14A—C25—C4	104.68 (7)
C19A^viii—C8—C27D	59.6 (5)	C22—C25—C4	63.58 (6)
C19A^ix—C8—C27D	48.1 (5)	C13B—C25—C4	130.19 (16)
C19A—C8—C27D^viii	48.1 (5)	C13A—C25—C3	130.33 (12)
C19A^viii—C8—C27D^viii	38.4 (5)	C14A—C25—C3	102.54 (7)
C19A^ix—C8—C27D^viii	59.6 (5)	C22—C25—C3	64.06 (6)
C27D—C8—C27D^viii	21.6 (5)	C13B—C25—C3	128.90 (16)
C19A—C8—C27D^ix	59.6 (5)	C4—C25—C3	98.29 (7)
C19A^viii—C8—C27D^ix	48.1 (5)	C1^i—C26—C1^iv	117.41 (4)
C19A^ix—C8—C27D^ix	38.4 (5)	C1^i—C26—C1	117.41 (4)
C27D—C8—C27D^ix	21.6 (5)	C1^iv—C26—C1	117.41 (4)
C27D^viii—C8—C27D^ix	21.6 (5)	C1^i—C26—C4^iv	114.59 (8)
C19A—C8—C6	70.4 (4)	C1^iv—C26—C4^iv	62.21 (3)
C19A^viii—C8—C6	129.8 (3)	C1—C26—C4^iv	116.05 (8)
C19A^ix—C8—C6	130.5 (3)	C1^i—C26—C4^i	62.21 (3)
C27D—C8—C6	108.1 (3)	C1^iv—C26—C4^i	116.05 (8)
C27D^viii—C8—C6	116.4 (3)	C1—C26—C4^i	114.59 (8)
C27D^ix—C8—C6	129.7 (3)	C4^iv—C26—C4^i	63.08 (8)
C19A—C8—C6^ix	129.8 (3)	C1^i—C26—C4	116.05 (8)
C19A^viii—C8—C6^ix	130.5 (3)	C1^iv—C26—C4	114.59 (8)
C19A^ix—C8—C6^ix	70.4 (4)	C1—C26—C4	62.21 (3)
C27D—C8—C6^ix	116.4 (3)	C4^iv—C26—C4	63.08 (8)
C27D^viii—C8—C6^ix	129.7 (3)	C4^i—C26—C4	63.08 (8)
C27D^ix—C8—C6^ix	108.1 (3)	C1^i—C26—Y3C^i	63.8 (3)
C6—C8—C6^ix	99.24 (4)	C1^iv—C26—Y3C^i	176.7 (3)
C19A—C8—C6^viii	130.5 (3)	C1—C26—Y3C^i	63.2 (3)
C19A^viii—C8—C6^viii	70.4 (4)	C4^iv—C26—Y3C^i	114.5 (3)
C19A^ix—C8—C6^viii	129.8 (3)	C4^i—C26—Y3C^i	61.5 (3)
C27D—C8—C6^viii	129.7 (3)	C4—C26—Y3C^i	62.6 (3)
C27D^viii—C8—C6^viii	108.1 (3)	C1^i—C26—Y3C^iv	63.2 (3)
C27D^ix—C8—C6^viii	116.4 (3)	C1^iv—C26—Y3C^iv	63.8 (3)
C6—C8—C6^viii	99.24 (4)	C1—C26—Y3C^iv	176.7 (3)
C6^ix—C8—C6^viii	99.24 (4)	C4^iv—C26—Y3C^iv	61.5 (3)
C9C—C9A—C32	122.8 (19)	C4^i—C26—Y3C^iv	62.6 (3)
C9C—C9A—C9E	29.6 (19)	C4—C26—Y3C^iv	114.5 (3)
C32—C9A—C9E	109 (2)	Y3C^i—C26—Y3C^iv	115.3 (2)
C9C—C9A—C9D	9.8 (16)	C1^i—C26—Y3C	176.7 (3)
C32—C9A—C9D	113.1 (19)	C1^iv—C26—Y3C	63.2 (3)
C9E—C9A—C9D	26.4 (17)	C1—C26—Y3C	63.8 (3)
C9C—C9A—C28^iv	83.9 (14)	C4^iv—C26—Y3C	62.6 (3)
C32—C9A—C28^iv	149.1 (17)	C4^i—C26—Y3C	114.5 (3)
C9E—C9A—C28^iv	102.3 (18)	C4—C26—Y3C	61.5 (3)
C9D—C9A—C28^iv	93.6 (14)	Y3C^i—C26—Y3C	115.3 (2)
C9C—C9A—C20B^iv	138.2 (13)	Y3C^iv—C26—Y3C	115.3 (2)
C32—C9A—C20B^iv	66.2 (16)	C27E^xxii—C27A—C27B	138 (3)
C9E—C9A—C20B^iv	162.6 (17)	C27E^xxii—C27A—C9D^xxii	107 (3)
C9D—C9A—C20B^iv	138.3 (12)	C27B—C27A—C9D^xxii	113 (2)
C28^iv—C9A—C20B^iv	83.7 (10)	C27E^xxii—C27A—C27C	135 (3)
C9C—C9A—C10B	97.2 (12)	C27B—C27A—C27C	5.5 (8)
C32—C9A—C10B	25.7 (15)	C9D^xxii—C27A—C27C	117.5 (19)
C9E—C9A—C10B	85.3 (16)	C27E^xxii—C27A—C27D^i	9 (2)
C9D—C9A—C10B	87.4 (11)	C27B—C27A—C27D^i	129.6 (12)
C28^iv—C9A—C10B	164.8 (9)	C9D^xxii—C27A—C27D^i	115 (2)
C20B^iv—C9A—C10B	85.5 (6)	C27C—C27A—C27D^i	126.3 (12)
C9C—C9A—C27A^x	17.6 (11)	C27E^xxii—C27A—C9C^xxii	107 (3)
C32—C9A—C27A^x	140.5 (15)	C27B—C27A—C9C^xxii	113.8 (16)
C9E—C9A—C27A^x	39.8 (16)	C9D^xxii—C27A—C9C^xxii	27.5 (17)
C9D—C9A—C27A^x	27.4 (11)	C27C—C27A—C9C^xxii	116.1 (14)
C28^iv—C9A—C27A^x	66.9 (9)	C27D^i—C27A—C9C^xxii	115.8 (16)
C20B^iv—C9A—C27A^x	134.7 (8)	C27E^xxii—C27A—C9E^xxii	80 (3)
C10B—C9A—C27A^x	114.8 (3)	C27B—C27A—C9E^xxii	141 (2)
C9C—C9B—C9E	34 (2)	C9D^xxii—C27A—C9E^xxii	28 (2)
C9C—C9B—C9D	6 (2)	C27C—C27A—C9E^xxii	144.8 (19)
C9E—C9B—C9D	31 (2)	C27D^i—C27A—C9E^xxii	89 (2)
C9C—C9B—C28^iv	104.3 (18)	C9C^xxii—C27A—C9E^xxii	33.0 (18)
C9E—C9B—C28^iv	122 (2)	C27E^xxii—C27A—Y6^xxii	71 (2)
C9D—C9B—C28^iv	110.6 (16)	C27B—C27A—Y6^xxii	68.7 (10)
C9C—C9B—C32	116 (2)	C9D^xxii—C27A—Y6^xxii	178 (2)
C9E—C9B—C32	104 (2)	C27C—C27A—Y6^xxii	64.2 (10)
C9D—C9B—C32	109.8 (18)	C27D^i—C27A—Y6^xxii	63.7 (8)
C28^iv—C9B—C32	134.4 (16)	C9C^xxii—C27A—Y6^xxii	151.7 (12)
C9C—C9B—C27A^x	27.8 (15)	C9E^xxii—C27A—Y6^xxii	150 (2)
C9E—C9B—C27A^x	48.3 (18)	C27E^xxii—C27A—C27D^xxii	29.0 (16)
C9D—C9B—C27A^x	33.8 (13)	C27B—C27A—C27D^xxii	120.1 (11)
C28^iv—C9B—C27A^x	78.3 (10)	C9D^xxii—C27A—C27D^xxii	126 (2)
C32—C9B—C27A^x	143.5 (13)	C27C—C27A—C27D^xxii	115.0 (10)
C9C—C9B—C27E	33.4 (16)	C27D^i—C27A—C27D^xxii	27.2 (8)
C9E—C9B—C27E	42.2 (18)	C9C^xxii—C27A—C27D^xxii	112.8 (13)
C9D—C9B—C27E	38.2 (13)	C9E^xxii—C27A—C27D^xxii	97.7 (19)
C28^iv—C9B—C27E	80.3 (10)	Y6^xxii—C27A—C27D^xxii	52.5 (7)
C32—C9B—C27E	145.0 (13)	C27E^xxii—C27A—C9B^xxii	104 (3)
C27A^x—C9B—C27E	13.4 (4)	C27B—C27A—C9B^xxii	113.3 (12)
C9D—C9C—C9B	166 (5)	C9D^xxii—C27A—C9B^xxii	42.3 (19)
C9D—C9C—C9E	58 (4)	C27C—C27A—C9B^xxii	114.0 (10)
C9B—C9C—C9E	115 (4)	C27D^i—C27A—C9B^xxii	112.4 (12)
C9D—C9C—C9A	155 (4)	C9C^xxii—C27A—C9B^xxii	14.8 (10)
C9B—C9C—C9A	12.3 (9)	C9E^xxii—C27A—C9B^xxii	41.8 (16)
C9E—C9C—C9A	113 (4)	Y6^xxii—C27A—C9B^xxii	136.9 (6)
C9D—C9C—C27A^x	56 (3)	C27D^xxii—C27A—C9B^xxii	102.9 (8)
C9B—C9C—C27A^x	137 (2)	C27C—C27B—C27A	168.3 (16)
C9E—C9C—C27A^x	81 (3)	C27C—C27B—C27E^xxii	152.9 (19)
C9A—C9C—C27A^x	150 (2)	C27A—C27B—C27E^xxii	18.5 (11)
C9D—C9C—C27E	59 (3)	C27C—C27B—Y6^xxii	84.3 (14)
C9B—C9C—C27E	132 (2)	C27A—C27B—Y6^xxii	86.0 (11)
C9E—C9C—C27E	67 (3)	C27E^xxii—C27B—Y6^xxii	68.6 (10)
C9A—C9C—C27E	143.4 (19)	C27C—C27B—C27F^xiii	29.0 (17)
C27A^x—C9C—C27E	18.1 (7)	C27A—C27B—C27F^xiii	139.3 (15)
C9D—C9C—C27B^x	60 (3)	C27E^xxii—C27B—C27F^xiii	127.2 (14)
C9B—C9C—C27B^x	134 (2)	Y6^xxii—C27B—C27F^xiii	62.5 (12)
C9E—C9C—C27B^x	99 (3)	C27C—C27B—C9D^xxii	145.2 (17)
C9A—C9C—C27B^x	143.4 (18)	C27A—C27B—C9D^xxii	43.8 (15)
C27A^x—C9C—C27B^x	20.0 (7)	C27E^xxii—C27B—C9D^xxii	61.6 (16)
C27E—C9C—C27B^x	37.9 (8)	Y6^xxii—C27B—C9D^xxii	129.8 (14)
C9C—C9D—C9E	74 (5)	C27F^xiii—C27B—C9D^xxii	154.2 (18)
C9C—C9D—C27A^x	97 (4)	C27C—C27B—C27G^xiii	23.8 (18)
C9E—C9D—C27A^x	104 (5)	C27A—C27B—C27G^xiii	148.8 (15)
C9C—C9D—C15^viii	138 (5)	C27E^xxii—C27B—C27G^xiii	130.5 (16)
C9E—C9D—C15^viii	96 (4)	Y6^xxii—C27B—C27G^xiii	63.1 (13)
C27A^x—C9D—C15^viii	126 (3)	C27F^xiii—C27B—C27G^xiii	27.8 (13)
C9C—C9D—C9B	7 (3)	C9D^xxii—C27B—C27G^xiii	166.7 (17)
C9E—C9D—C9B	70 (4)	C27C—C27B—C13D	70.7 (18)
C27A^x—C9D—C9B	104 (2)	C27A—C27B—C13D	120.9 (15)
C15^viii—C9D—C9B	131 (3)	C27E^xxii—C27B—C13D	128.6 (13)
C9C—C9D—C27E	98 (4)	Y6^xxii—C27B—C13D	132.7 (11)
C9E—C9D—C27E	84 (4)	C27F^xiii—C27B—C13D	99.8 (17)
C27A^x—C9D—C27E	21.0 (9)	C9D^xxii—C27B—C13D	85.9 (16)
C15^viii—C9D—C27E	122 (3)	C27G^xiii—C27B—C13D	81.5 (16)
C9B—C9D—C27E	104 (2)	C27C—C27B—C9C^xxii	137.7 (16)
C9C—C9D—C27B^x	99 (4)	C27A—C27B—C9C^xxii	46.2 (11)
C9E—C9D—C27B^x	127 (5)	C27E^xxii—C27B—C9C^xxii	64.4 (13)
C27A^x—C9D—C27B^x	23.2 (10)	Y6^xxii—C27B—C9C^xxii	124.9 (10)
C15^viii—C9D—C27B^x	118 (3)	C27F^xiii—C27B—C9C^xxii	134.2 (14)
C9B—C9D—C27B^x	107 (2)	C9D^xxii—C27B—C9C^xxii	21.2 (12)
C27E—C9D—C27B^x	43.9 (11)	C27G^xiii—C27B—C9C^xxii	159.5 (16)
C9D—C9E—C9C	49 (4)	C13D—C27B—C9C^xxii	99.4 (12)
C9D—C9E—C9B	79 (5)	C27B—C27C—C27F^xiii	134 (3)
C9C—C9E—C9B	31 (2)	C27B—C27C—C27G^xiii	143 (3)
C9D—C9E—C27A^x	48 (4)	C27F^xiii—C27C—C27G^xiii	42 (2)
C9C—C9E—C27A^x	66 (3)	C27B—C27C—C27A	6.2 (9)
C9B—C9E—C27A^x	90 (2)	C27F^xiii—C27C—C27A	128 (2)
C9D—C9E—C27E	68 (4)	C27G^xiii—C27C—C27A	139 (2)
C9C—C9E—C27E	82 (4)	C27B—C27C—Y6^xxii	72.6 (13)
C9B—C9E—C27E	101 (3)	C27F^xiii—C27C—Y6^xxii	71.3 (17)
C27A^x—C9E—C27E	20.1 (7)	C27G^xiii—C27C—Y6^xxii	73.6 (19)
C9D—C9E—C9A	83 (5)	C27A—C27C—Y6^xxii	67.6 (9)
C9C—C9E—C9A	37 (3)	C27B—C27C—C13C	105.3 (17)
C9B—C9E—C9A	9.8 (5)	C27F^xiii—C27C—C13C	120 (2)
C27A^x—C9E—C9A	99 (2)	C27G^xiii—C27C—C13C	91 (2)
C27E—C9E—C9A	111 (3)	C27A—C27C—C13C	111.5 (13)
C9D—C9E—C15^viii	57 (4)	Y6^xxii—C27C—C13C	139.6 (10)
C9C—C9E—C15^viii	96 (4)	C27B—C27C—C13D	89.1 (18)
C9B—C9E—C15^viii	116 (3)	C27F^xiii—C27C—C13D	137 (2)
C27A^x—C9E—C15^viii	92 (2)	C27G^xiii—C27C—C13D	105 (2)
C27E—C9E—C15^viii	102 (2)	C27A—C27C—C13D	95.2 (15)
C9A—C9E—C15^viii	112 (3)	Y6^xxii—C27C—C13D	135.9 (13)
C32—C10A—C29^viii	117.7 (17)	C13C—C27C—C13D	16.3 (10)
C32—C10A—C30^viii	160.8 (17)	C27E^ix—C27D—C27D^ix	111 (2)
C29^viii—C10A—C30^viii	45.6 (15)	C27E^ix—C27D—C27D^viii	143.1 (12)
C32—C10A—C11B^v	135.4 (13)	C27D^ix—C27D—C27D^viii	60.000 (5)
C29^viii—C10A—C11B^v	68.8 (11)	C27E^ix—C27D—C27A^iv	5.7 (13)
C30^viii—C10A—C11B^v	38.3 (11)	C27D^ix—C27D—C27A^iv	110.9 (16)
C32—C10A—C7A^iii	131.9 (13)	C27D^viii—C27D—C27A^iv	137.7 (8)
C29^viii—C10A—C7A^iii	66.3 (10)	C27E^ix—C27D—C27E	119.4 (17)
C30^viii—C10A—C7A^iii	56.4 (11)	C27D^ix—C27D—C27E	85.9 (13)
C11B^v—C10A—C7A^iii	92.2 (4)	C27D^viii—C27D—C27E	32.0 (12)
C32—C10A—C9A	25.1 (13)	C27A^iv—C27D—C27E	113.8 (12)
C29^viii—C10A—C9A	92.6 (10)	C27E^ix—C27D—C19A	108.8 (15)
C30^viii—C10A—C9A	136.8 (11)	C27D^ix—C27D—C19A	135.5 (9)
C11B^v—C10A—C9A	128.5 (3)	C27D^viii—C27D—C19A	97.0 (16)
C7A^iii—C10A—C9A	124.7 (3)	C27A^iv—C27D—C19A	110.8 (11)
C32—C10A—C15^viii	89.6 (13)	C27E—C27D—C19A	90.9 (10)
C29^viii—C10A—C15^viii	28.2 (10)	C27E^ix—C27D—Y6	70.5 (13)
C30^viii—C10A—C15^viii	73.1 (11)	C27D^ix—C27D—Y6	72.8 (4)
C11B^v—C10A—C15^viii	87.6 (3)	C27D^viii—C27D—Y6	72.8 (4)
C7A^iii—C10A—C15^viii	85.2 (3)	C27A^iv—C27D—Y6	65.4 (8)
C9A—C10A—C15^viii	64.47 (15)	C27E—C27D—Y6	59.9 (7)
C32—C10A—C7B^iii	127.9 (13)	C19A—C27D—Y6	140.5 (11)
C29^viii—C10A—C7B^iii	71.8 (10)	C27E^ix—C27D—C27E^viii	100.6 (14)
C30^viii—C10A—C7B^iii	61.8 (11)	C27D^ix—C27D—C27E^viii	17.3 (6)
C11B^v—C10A—C7B^iii	96.6 (4)	C27D^viii—C27D—C27E^viii	60.3 (11)
C7A^iii—C10A—C7B^iii	5.97 (17)	C27A^iv—C27D—C27E^viii	98.9 (9)
C9A—C10A—C7B^iii	123.5 (2)	C27E—C27D—C27E^viii	79.0 (8)
C15^viii—C10A—C7B^iii	89.4 (2)	C19A—C27D—C27E^viii	150.1 (11)
C32—C10A—C11A^v	130.7 (13)	Y6—C27D—C27E^viii	55.6 (6)
C29^viii—C10A—C11A^v	75.5 (10)	C27E^ix—C27D—C27B^iv	22.0 (11)
C30^viii—C10A—C11A^v	44.9 (11)	C27D^ix—C27D—C27B^iv	107.1 (10)
C11B^v—C10A—C11A^v	7.1 (2)	C27D^viii—C27D—C27B^iv	121.6 (5)
C7A^iii—C10A—C11A^v	97.4 (3)	C27A^iv—C27D—C27B^iv	16.3 (5)
C9A—C10A—C11A^v	127.38 (18)	C27E—C27D—C27B^iv	98.0 (9)
C15^viii—C10A—C11A^v	92.91 (18)	C19A—C27D—C27B^iv	117.2 (9)
C7B^iii—C10A—C11A^v	101.4 (3)	Y6—C27D—C27B^iv	50.4 (5)
C32—C10A—C3	79.2 (13)	C27E^viii—C27D—C27B^iv	92.2 (8)
C29^viii—C10A—C3	126.0 (10)	C27E^ix—C27D—C27A^x	109.1 (14)
C30^viii—C10A—C3	117.5 (11)	C27D^ix—C27D—C27A^x	91.7 (12)
C11B^v—C10A—C3	135.7 (3)	C27D^viii—C27D—C27A^x	41.9 (11)
C7A^iii—C10A—C3	65.9 (2)	C27A^iv—C27D—C27A^x	103.5 (12)
C9A—C10A—C3	94.5 (2)	C27E—C27D—C27A^x	10.5 (6)
C15^viii—C10A—C3	125.39 (17)	C19A—C27D—C27A^x	93.0 (9)
C7B^iii—C10A—C3	59.92 (19)	Y6—C27D—C27A^x	53.6 (6)
C11A^v—C10A—C3	134.1 (2)	C27E^viii—C27D—C27A^x	82.3 (8)
C32—C10B—C29^viii	126 (2)	C27B^iv—C27D—C27A^x	87.9 (8)
C32—C10B—C9A	28.1 (16)	C27A^x—C27E—C27D^viii	166 (3)
C29^viii—C10B—C9A	97.8 (10)	C27A^x—C27E—C27B^x	23.3 (17)
C32—C10B—C9B	34.0 (16)	C27D^viii—C27E—C27B^x	142 (2)
C29^viii—C10B—C9B	91.9 (10)	C27A^x—C27E—C27D	140 (2)
C9A—C10B—C9B	6.0 (2)	C27D^viii—C27E—C27D	36.7 (14)
C32—C10B—C23A	59.3 (17)	C27B^x—C27E—C27D	126.3 (12)
C29^viii—C10B—C23A	174.7 (10)	C27A^x—C27E—C9D	52 (3)
C9A—C10B—C23A	87.3 (3)	C27D^viii—C27E—C9D	141 (2)
C9B—C10B—C23A	93.3 (3)	C27B^x—C27E—C9D	74.5 (19)
C32—C10B—C15^viii	95.8 (17)	C27D—C27E—C9D	146.0 (18)
C29^viii—C10B—C15^viii	30.1 (9)	C27A^x—C27E—Y6	89 (2)
C9A—C10B—C15^viii	67.7 (2)	C27D^viii—C27E—Y6	78.5 (16)
C9B—C10B—C15^viii	61.8 (2)	C27B^x—C27E—Y6	66.5 (8)
C23A—C10B—C15^viii	155.1 (3)	C27D—C27E—Y6	64.0 (11)
C32—C10B—C30^viii	161 (2)	C9D—C27E—Y6	140.6 (19)
C29^viii—C10B—C30^viii	38.7 (13)	C27A^x—C27E—C9E	79 (3)
C9A—C10B—C30^viii	135.1 (10)	C27D^viii—C27E—C9E	114 (2)
C9B—C10B—C30^viii	129.4 (10)	C27B^x—C27E—C9E	102 (2)
C23A—C10B—C30^viii	136.0 (10)	C27D—C27E—C9E	120.5 (19)
C15^viii—C10B—C30^viii	68.3 (10)	C9D—C27E—C9E	28.6 (19)
C32—C10B—C11B^v	137.4 (17)	Y6—C27E—C9E	164 (2)
C29^viii—C10B—C11B^v	60.5 (10)	C27A^x—C27E—C27D^ix	147 (3)
C9A—C10B—C11B^v	129.1 (4)	C27D^viii—C27E—C27D^ix	19.6 (8)
C9B—C10B—C11B^v	126.4 (4)	C27B^x—C27E—C27D^ix	123.3 (13)
C23A—C10B—C11B^v	115.2 (4)	C27D—C27E—C27D^ix	33.8 (7)
C15^viii—C10B—C11B^v	82.1 (3)	C9D—C27E—C27D^ix	159.6 (17)
C30^viii—C10B—C11B^v	34.2 (10)	Y6—C27E—C27D^ix	59.0 (10)
C11C—C11A—C30^xi	62 (3)	C9E—C27E—C27D^ix	134.0 (19)
C11C—C11A—C23B	126 (3)	C27A^x—C27E—C9C	55 (3)
C30^xi—C11A—C23B	167.9 (17)	C27D^viii—C27E—C9C	139.6 (17)
C11C—C11A—C14A	93 (3)	C27B^x—C27E—C9C	77.7 (15)
C30^xi—C11A—C14A	89.8 (13)	C27D—C27E—C9C	126.1 (12)
C23B—C11A—C14A	97.6 (10)	C9D—C27E—C9C	23.2 (14)
C11C—C11A—C3	61 (3)	Y6—C27E—C9C	134.0 (14)
C30^xi—C11A—C3	121.2 (13)	C9E—C27E—C9C	30.4 (18)
C23B—C11A—C3	65.3 (13)	C27D^ix—C27E—C9C	156.1 (12)
C14A—C11A—C3	109.22 (4)	C27G—C27F—C27G^xiii	107 (6)
C11C—C11A—C10A^vi	109 (3)	C27G—C27F—C27C^xiv	71 (4)
C30^xi—C11A—C10A^vi	59.0 (13)	C27G^xiii—C27F—C27C^xiv	149 (4)
C23B—C11A—C10A^vi	108.9 (11)	C27G—C27F—C27F^xiii	85 (3)
C14A—C11A—C10A^vi	121.81 (12)	C27G^xiii—C27F—C27F^xiii	24 (3)
C3—C11A—C10A^vi	128.80 (11)	C27C^xiv—C27F—C27F^xiii	130 (2)
C11C—C11A—C5A^vi	158 (3)	C27G—C27F—C27F^xiv	26 (3)
C30^xi—C11A—C5A^vi	119.6 (13)	C27G^xiii—C27F—C27F^xiv	83 (3)
C23B—C11A—C5A^vi	48.8 (12)	C27C^xiv—C27F—C27F^xiv	85 (3)
C14A—C11A—C5A^vi	108.96 (4)	C27F^xiii—C27F—C27F^xiv	60.001 (8)
C3—C11A—C5A^vi	106.04 (4)	C27G—C27F—C27B^xiv	81 (4)
C10A^vi—C11A—C5A^vi	62.57 (12)	C27G^xiii—C27F—C27B^xiv	134 (4)
C11C—C11A—C16^xi	68 (3)	C27C^xiv—C27F—C27B^xiv	16.7 (9)
C30^xi—C11A—C16^xi	28.8 (13)	C27F^xiii—C27F—C27B^xiv	120.6 (11)
C23B—C11A—C16^xi	156.8 (12)	C27F^xiv—C27F—C27B^xiv	89 (2)
C14A—C11A—C16^xi	60.92 (3)	C27G—C27F—C14C^i	128 (4)
C3—C11A—C16^xi	127.46 (4)	C27G^xiii—C27F—C14C^i	101 (4)
C10A^vi—C11A—C16^xi	78.87 (13)	C27C^xiv—C27F—C14C^i	105 (3)
C5A^vi—C11A—C16^xi	126.30 (4)	C27F^xiii—C27F—C14C^i	124 (3)
C11C—C11B—C30^xi	88 (4)	C27F^xiv—C27F—C14C^i	147 (2)
C11C—C11B—C29^xi	104 (4)	C27B^xiv—C27F—C14C^i	110 (2)
C30^xi—C11B—C29^xi	45.3 (18)	C27G—C27F—C27G^xiv	54 (3)
C11C—C11B—C10A^vi	143 (4)	C27G^xiii—C27F—C27G^xiv	54 (3)
C30^xi—C11B—C10A^vi	69.3 (16)	C27C^xiv—C27F—C27G^xiv	111 (3)
C29^xi—C11B—C10A^vi	39.8 (7)	C27F^xiii—C27F—C27G^xiv	31.5 (12)
C11C—C11B—C16^xi	85 (4)	C27F^xiv—C27F—C27G^xiv	29.0 (12)
C30^xi—C11B—C16^xi	30.9 (16)	C27B^xiv—C27F—C27G^xiv	109 (2)
C29^xi—C11B—C16^xi	75.5 (7)	C14C^i—C27F—C27G^xiv	141 (3)
C10A^vi—C11B—C16^xi	89.3 (4)	C27G—C27F—C21C^iii	74 (3)
C11C—C11B—C17A^iii	46 (3)	C27G^xiii—C27F—C21C^iii	72 (3)
C30^xi—C11B—C17A^iii	72.1 (16)	C27C^xiv—C27F—C21C^iii	133 (3)
C29^xi—C11B—C17A^iii	61.6 (7)	C27F^xiii—C27F—C21C^iii	75.3 (15)
C10A^vi—C11B—C17A^iii	97.9 (4)	C27F^xiv—C27F—C21C^iii	76.8 (14)
C16^xi—C11B—C17A^iii	91.5 (3)	C27B^xiv—C27F—C21C^iii	149 (2)
C11C—C11B—C23B	99 (4)	C14C^i—C27F—C21C^iii	74 (2)
C30^xi—C11B—C23B	172 (2)	C27G^xiv—C27F—C21C^iii	70 (2)
C29^xi—C11B—C23B	134.6 (12)	C27G—C27F—Y6^xxii	80 (3)
C10A^vi—C11B—C23B	106.2 (10)	C27G^xiii—C27F—Y6^xxii	79 (3)
C16^xi—C11B—C23B	146.1 (11)	C27C^xiv—C27F—Y6^xxii	70.0 (16)
C17A^iii—C11B—C23B	115.1 (12)	C27F^xiii—C27F—Y6^xxii	63.2 (9)
C11C—C11B—C10B^vi	143 (4)	C27F^xiv—C27F—Y6^xxii	63.2 (9)
C30^xi—C11B—C10B^vi	72.8 (16)	C27B^xiv—C27F—Y6^xxii	57.6 (10)
C29^xi—C11B—C10B^vi	41.3 (7)	C14C^i—C27F—Y6^xxii	150 (2)
C10A^vi—C11B—C10B^vi	4.0 (3)	C27G^xiv—C27F—Y6^xxii	62.6 (16)
C16^xi—C11B—C10B^vi	93.3 (4)	C21C^iii—C27F—Y6^xxii	132 (2)
C17A^iii—C11B—C10B^vi	97.7 (4)	C27F—C27G—C27F^xiv	129 (6)
C23B—C11B—C10B^vi	102.8 (10)	C27F—C27G—C27C^xiv	67 (4)
C11C—C11B—C14A	83 (3)	C27F^xiv—C27G—C27C^xiv	127 (4)
C30^xi—C11B—C14A	92.5 (17)	C27F—C27G—C27G^xiii	38 (4)
C29^xi—C11B—C14A	136.0 (8)	C27F^xiv—C27G—C27G^xiii	94 (3)
C10A^vi—C11B—C14A	125.6 (4)	C27C^xiv—C27G—C27G^xiii	100 (4)
C16^xi—C11B—C14A	61.6 (2)	C27F—C27G—C27G^xiv	97 (4)
C17A^iii—C11B—C14A	125.4 (4)	C27F^xiv—C27G—C27G^xiv	35 (3)
C23B—C11B—C14A	85.3 (10)	C27C^xiv—C27G—C27G^xiv	134.4 (19)
C10B^vi—C11B—C14A	128.0 (4)	C27G^xiii—C27G—C27G^xiv	60.002 (7)
C11B—C11C—C11A	29 (2)	C27F—C27G—C21C^xi	102 (4)
C11B—C11C—C30^xi	65 (3)	C27F^xiv—C27G—C21C^xi	78 (3)
C11A—C11C—C30^xi	92 (4)	C27C^xiv—C27G—C21C^xi	156 (3)
C11B—C11C—C17A^iii	118 (4)	C27G^xiii—C27G—C21C^xi	79.2 (16)
C11A—C11C—C17A^iii	137 (4)	C27G^xiv—C27G—C21C^xi	66.3 (17)
C30^xi—C11C—C17A^iii	83 (2)	C27F—C27G—C21C^iii	78 (3)
C11B—C11C—Y4^xii	149 (4)	C27F^xiv—C27G—C21C^iii	100 (4)
C11A—C11C—Y4^xii	139 (4)	C27C^xiv—C27G—C21C^iii	133 (3)
C30^xi—C11C—Y4^xii	99 (3)	C27G^xiii—C27G—C21C^iii	64.8 (17)
C17A^iii—C11C—Y4^xii	83.3 (18)	C27G^xiv—C27G—C21C^iii	78.5 (16)
C11B—C11C—C17B^iii	117 (4)	C21C^xi—C27G—C21C^iii	26 (2)
C11A—C11C—C17B^iii	135 (4)	C27F—C27G—C13E^xiv	122 (5)
C30^xi—C11C—C17B^iii	85 (2)	C27F^xiv—C27G—C13E^xiv	108 (5)
C17A^iii—C11C—C17B^iii	2.8 (5)	C27C^xiv—C27G—C13E^xiv	88 (3)
Y4^xii—C11C—C17B^iii	85.5 (18)	C27G^xiii—C27G—C13E^xiv	146 (3)
C11B—C11C—C3	121 (4)	C27G^xiv—C27G—C13E^xiv	133 (4)
C11A—C11C—C3	100 (3)	C21C^xi—C27G—C13E^xiv	81 (2)
C30^xi—C11C—C3	158 (3)	C21C^iii—C27G—C13E^xiv	86 (3)
C17A^iii—C11C—C3	75.7 (15)	C27F—C27G—C27F^xiii	66 (3)
Y4^xii—C11C—C3	83.9 (16)	C27F^xiv—C27G—C27F^xiii	65 (3)
C17B^iii—C11C—C3	74.0 (15)	C27C^xiv—C27G—C27F^xiii	116 (3)
C11B—C11C—C16^xi	77 (3)	C27G^xiii—C27G—C27F^xiii	28.9 (14)
C11A—C11C—C16^xi	94 (3)	C27G^xiv—C27G—C27F^xiii	31.6 (14)
C30^xi—C11C—C16^xi	31.4 (17)	C21C^xi—C27G—C27F^xiii	74 (2)
C17A^iii—C11C—C16^xi	102.2 (18)	C21C^iii—C27G—C27F^xiii	72 (2)
Y4^xii—C11C—C16^xi	76.6 (14)	C13E^xiv—C27G—C27F^xiii	155 (3)
C17B^iii—C11C—C16^xi	104.6 (18)	C27F—C27G—C27B^xiv	71 (4)
C3—C11C—C16^xi	160 (2)	C27F^xiv—C27G—C27B^xiv	114 (4)
C11B—C11C—C14C^i	98 (4)	C27C^xiv—C27G—C27B^xiv	13.4 (9)
C11A—C11C—C14C^i	98 (3)	C27G^xiii—C27G—C27B^xiv	98 (3)
C30^xi—C11C—C14C^i	71 (2)	C27G^xiv—C27G—C27B^xiv	122.3 (11)
C17A^iii—C11C—C14C^i	120 (2)	C21C^xi—C27G—C27B^xiv	169 (3)
Y4^xii—C11C—C14C^i	50.6 (12)	C21C^iii—C27G—C27B^xiv	144 (3)
C17B^iii—C11C—C14C^i	123 (2)	C13E^xiv—C27G—C27B^xiv	96 (2)
C3—C11C—C14C^i	124 (2)	C27F^xiii—C27G—C27B^xiv	109 (2)
C16^xi—C11C—C14C^i	39.6 (10)	C27F—C27G—Y6^xxii	73 (3)
C12B^iv—C12A—C21B	138.8 (11)	C27F^xiv—C27G—Y6^xxii	72 (3)
C12B^iv—C12A—C30	39.1 (15)	C27C^xiv—C27G—Y6^xxii	67.3 (18)
C21B—C12A—C30	100.1 (10)	C27G^xiii—C27G—Y6^xxii	67.2 (10)
C12B^iv—C12A—C16	68.0 (11)	C27G^xiv—C27G—Y6^xxii	67.2 (10)
C21B—C12A—C16	70.76 (12)	C21C^xi—C27G—Y6^xxii	132 (2)
C30—C12A—C16	30.6 (10)	C21C^iii—C27G—Y6^xxii	130 (2)
C12B^iv—C12A—C18B	45.2 (11)	C13E^xiv—C27G—Y6^xxii	144 (3)
C21B—C12A—C18B	130.8 (2)	C27F^xiii—C27G—Y6^xxii	59.3 (15)
C30—C12A—C18B	69.4 (10)	C27B^xiv—C27G—Y6^xxii	55.3 (11)
C16—C12A—C18B	83.4 (3)	C13D^xxvi—Y1—C10A^xxvii	109.2 (7)
C12B^iv—C12A—C26	134.3 (12)	C13D^xxvi—Y1—C14B^xxiii	61.5 (9)
C21B—C12A—C26	86.83 (18)	C10A^xxvii—Y1—C14B^xxiii	101.9 (3)
C30—C12A—C26	168.1 (10)	C13D^xxvi—Y1—C9C^xxiii	59.6 (10)
C16—C12A—C26	157.57 (17)	C10A^xxvii—Y1—C9C^xxiii	154.9 (4)
C18B—C12A—C26	113.3 (3)	C14B^xxiii—Y1—C9C^xxiii	53.1 (5)
C12B^iv—C12A—Y3C	75.4 (13)	C13D^xxvi—Y1—C9D^xxiii	48.8 (11)
C21B—C12A—Y3C	145.7 (4)	C10A^xxvii—Y1—C9D^xxiii	154.7 (7)
C30—C12A—Y3C	113.6 (11)	C14B^xxiii—Y1—C9D^xxiii	58.6 (7)
C16—C12A—Y3C	143.5 (4)	C9C^xxiii—Y1—C9D^xxiii	13.5 (7)
C18B—C12A—Y3C	70.6 (4)	C13D^xxvi—Y1—C13C^xxvi	9.2 (6)
C26—C12A—Y3C	58.9 (4)	C10A^xxvii—Y1—C13C^xxvi	101.8 (4)
C12A^i—C12B—C30^i	133.5 (17)	C14B^xxiii—Y1—C13C^xxvi	56.7 (5)
C12A^i—C12B—C18B^i	126.9 (12)	C9C^xxiii—Y1—C13C^xxvi	64.2 (6)
C30^i—C12B—C18B^i	80.8 (13)	C9D^xxiii—Y1—C13C^xxvi	54.8 (8)
C12A^i—C12B—C17A	127.6 (14)	C13D^xxvi—Y1—C11B^xxvii	106.9 (8)
C30^i—C12B—C17A	64.9 (12)	C10A^xxvii—Y1—C11B^xxvii	104.2 (2)
C18B^i—C12B—C17A	101.9 (5)	C14B^xxiii—Y1—C11B^xxvii	153.7 (3)
C12A^i—C12B—C16^i	102.2 (11)	C9C^xxiii—Y1—C11B^xxvii	100.7 (5)
C30^i—C12B—C16^i	33.2 (11)	C9D^xxiii—Y1—C11B^xxvii	95.6 (7)
C18B^i—C12B—C16^i	92.9 (5)	C13C^xxvi—Y1—C11B^xxvii	114.7 (4)
C17A—C12B—C16^i	92.0 (4)	C13D^xxvi—Y1—C32^xxiii	100.9 (10)
C12A^i—C12B—Y3C^i	94.7 (14)	C10A^xxvii—Y1—C32^xxiii	147.8 (7)
C30^i—C12B—Y3C^i	130.4 (13)	C14B^xxiii—Y1—C32^xxiii	82.3 (8)
C18B^i—C12B—Y3C^i	76.7 (5)	C9C^xxiii—Y1—C32^xxiii	43.2 (8)
C17A—C12B—Y3C^i	77.3 (5)	C9D^xxiii—Y1—C32^xxiii	52.1 (10)
C16^i—C12B—Y3C^i	163.1 (8)	C13C^xxvi—Y1—C32^xxiii	106.8 (8)
C12A^i—C12B—C18A^i	122.9 (12)	C11B^xxvii—Y1—C32^xxiii	76.8 (7)
C30^i—C12B—C18A^i	85.7 (12)	C13D^xxvi—Y1—C10B^xxiii	100.4 (7)
C18B^i—C12B—C18A^i	4.9 (3)	C10A^xxvii—Y1—C10B^xxiii	147.59 (14)
C17A—C12B—C18A^i	104.6 (5)	C14B^xxiii—Y1—C10B^xxiii	103.6 (4)
C16^i—C12B—C18A^i	96.8 (5)	C9C^xxiii—Y1—C10B^xxiii	54.9 (5)
Y3C^i—C12B—C18A^i	73.7 (4)	C9D^xxiii—Y1—C10B^xxiii	57.8 (7)
C12A^i—C12B—C17B	127.4 (14)	C13C^xxvi—Y1—C10B^xxiii	108.7 (4)
C30^i—C12B—C17B	70.0 (14)	C11B^xxvii—Y1—C10B^xxiii	53.1 (2)
C18B^i—C12B—C17B	99.5 (7)	C32^xxiii—Y1—C10B^xxiii	24.5 (7)
C17A—C12B—C17B	6.5 (6)	C13D^xxvi—Y1—C9A^xxiii	80.5 (8)
C16^i—C12B—C17B	98.2 (9)	C10A^xxvii—Y1—C9A^xxiii	150.54 (13)
Y3C^i—C12B—C17B	70.9 (9)	C14B^xxiii—Y1—C9A^xxiii	57.2 (4)
C18A^i—C12B—C17B	101.7 (6)	C9C^xxiii—Y1—C9A^xxiii	21.2 (6)
C12A^i—C12B—C21B	34.7 (9)	C9D^xxiii—Y1—C9A^xxiii	34.0 (8)
C30^i—C12B—C21B	99.2 (12)	C13C^xxvi—Y1—C9A^xxiii	84.3 (3)
C18B^i—C12B—C21B	127.9 (4)	C11B^xxvii—Y1—C9A^xxiii	99.0 (2)
C17A—C12B—C21B	125.5 (4)	C32^xxiii—Y1—C9A^xxiii	26.6 (7)
C16^i—C12B—C21B	67.5 (2)	C10B^xxiii—Y1—C9A^xxiii	46.46 (14)
Y3C^i—C12B—C21B	129.4 (7)	C13D^xxvi—Y1—C16^vi	51.3 (7)
C18A^i—C12B—C21B	126.8 (3)	C10A^xxvii—Y1—C16^vi	71.03 (14)
C17B—C12B—C21B	129.8 (7)	C14B^xxiii—Y1—C16^vi	42.0 (4)
C13D—C13A—C13C	29.6 (18)	C9C^xxiii—Y1—C16^vi	85.8 (4)
C13D—C13A—C13E	62 (3)	C9D^xxiii—Y1—C16^vi	83.9 (7)
C13C—C13A—C13E	33.4 (18)	C13C^xxvi—Y1—C16^vi	42.2 (4)
C13D—C13A—C31	60 (2)	C11B^xxvii—Y1—C16^vi	149.8 (2)
C13C—C13A—C31	81.7 (15)	C32^xxiii—Y1—C16^vi	123.5 (7)
C13E—C13A—C31	101.5 (18)	C10B^xxiii—Y1—C16^vi	140.72 (15)
C13D—C13A—C17B	116 (2)	C9A^xxiii—Y1—C16^vi	97.20 (6)
C13C—C13A—C17B	140.6 (12)	C13D^xxvi—Y1—C13B^xxvi	9.3 (8)
C13E—C13A—C17B	163.8 (15)	C10A^xxvii—Y1—C13B^xxvi	103.16 (16)
C31—C13A—C17B	89.9 (12)	C14B^xxiii—Y1—C13B^xxvi	69.2 (4)
C13D—C13A—C7B	117.5 (19)	C9C^xxiii—Y1—C13B^xxvi	68.1 (6)
C13C—C13A—C7B	100.8 (10)	C9D^xxiii—Y1—C13B^xxvi	56.6 (8)
C13E—C13A—C7B	86.4 (14)	C13C^xxvi—Y1—C13B^xxvi	12.8 (4)
C31—C13A—C7B	167.6 (12)	C11B^xxvii—Y1—C13B^xxvi	102.3 (2)
C17B—C13A—C7B	80.6 (5)	C32^xxiii—Y1—C13B^xxvi	108.0 (7)
C13D—C13B—C13C	46 (3)	C10B^xxiii—Y1—C13B^xxvi	104.3 (2)
C13D—C13B—C13E	81 (4)	C9A^xxiii—Y1—C13B^xxvi	89.11 (12)
C13C—C13B—C13E	35 (2)	C16^vi—Y1—C13B^xxvi	52.59 (13)
C13D—C13B—C31	72 (4)	C9E^xxvi—Y2—C9D^xxvi	6.5 (13)
C13C—C13B—C31	105 (2)	C9E^xxvi—Y2—C9C^xxvi	11.3 (13)
C13E—C13B—C31	119 (2)	C9D^xxvi—Y2—C9C^xxvi	13.6 (7)
C13D—C13B—C27C	27 (4)	C9E^xxvi—Y2—C19A^xiv	53.8 (12)
C13C—C13B—C27C	29.7 (16)	C9D^xxvi—Y2—C19A^xiv	55.0 (8)
C13E—C13B—C27C	58.0 (16)	C9C^xxvi—Y2—C19A^xiv	64.7 (6)
C31—C13B—C27C	76.2 (13)	C9E^xxvi—Y2—C19A^xxvi	52.4 (12)
C13D—C13B—C27B	19 (3)	C9D^xxvi—Y2—C19A^xxvi	58.8 (7)
C13C—C13B—C27B	44.8 (17)	C9C^xxvi—Y2—C19A^xxvi	53.4 (5)
C13E—C13B—C27B	73.6 (16)	C19A^xiv—Y2—C19A^xxvi	57.3 (7)
C31—C13B—C27B	63.0 (13)	C9E^xxvi—Y2—C7B^vi	108.1 (12)
C27C—C13B—C27B	15.8 (3)	C9D^xxvi—Y2—C7B^vi	101.8 (7)
C13D—C13C—C13B	51 (5)	C9C^xxvi—Y2—C7B^vi	105.9 (4)
C13D—C13C—C13A	61 (6)	C19A^xiv—Y2—C7B^vi	120.3 (4)
C13B—C13C—C13A	13.2 (10)	C19A^xxvi—Y2—C7B^vi	159.1 (3)
C13D—C13C—C13E	167 (5)	C9E^xxvi—Y2—C7A^vi	102.8 (12)
C13B—C13C—C13E	125 (3)	C9D^xxvi—Y2—C7A^vi	96.5 (7)
C13A—C13C—C13E	117 (3)	C9C^xxvi—Y2—C7A^vi	101.3 (5)
C13D—C13C—C27C	93 (6)	C19A^xiv—Y2—C7A^vi	115.4 (4)
C13B—C13C—C27C	139 (2)	C19A^xxvi—Y2—C7A^vi	154.7 (3)
C13A—C13C—C27C	151.6 (18)	C7B^vi—Y2—C7A^vi	5.79 (14)
C13E—C13C—C27C	85 (3)	C9E^xxvi—Y2—C15^xiv	34.9 (12)
C13D—C13C—C27B	75 (6)	C9D^xxvi—Y2—C15^xiv	28.7 (7)
C13B—C13C—C27B	121 (2)	C9C^xxvi—Y2—C15^xiv	40.2 (5)
C13A—C13C—C27B	133.5 (16)	C19A^xiv—Y2—C15^xiv	58.3 (3)
C13E—C13C—C27B	103 (3)	C19A^xxvi—Y2—C15^xiv	85.5 (3)
C27C—C13C—C27B	18.7 (5)	C7B^vi—Y2—C15^xiv	77.43 (17)
C13C—C13D—C13B	83 (6)	C7A^vi—Y2—C15^xiv	71.7 (2)
C13C—C13D—C13A	90 (6)	C9E^xxvi—Y2—C6^vi	155.2 (12)
C13B—C13D—C13A	12 (2)	C9D^xxvi—Y2—C6^vi	159.6 (7)
C13C—C13D—C13E	9 (3)	C9C^xxvi—Y2—C6^vi	159.5 (4)
C13B—C13D—C13E	81 (4)	C19A^xiv—Y2—C6^vi	106.0 (3)
C13A—C13D—C13E	89 (3)	C19A^xxvi—Y2—C6^vi	106.1 (3)
C13C—C13D—C31	133 (5)	C7B^vi—Y2—C6^vi	94.56 (15)
C13B—C13D—C31	90 (4)	C7A^vi—Y2—C6^vi	99.22 (19)
C13A—C13D—C31	93 (3)	C15^xiv—Y2—C6^vi	151.74 (3)
C13E—C13D—C31	124 (3)	C9E^xxvi—Y2—C9B^xxvi	26.7 (12)
C13C—C13D—C27C	70 (5)	C9D^xxvi—Y2—C9B^xxvi	29.3 (8)
C13B—C13D—C27C	146 (5)	C9C^xxvi—Y2—C9B^xxvi	15.8 (5)
C13A—C13D—C27C	157 (3)	C19A^xiv—Y2—C9B^xxvi	78.3 (3)
C13E—C13D—C27C	70 (2)	C19A^xxvi—Y2—C9B^xxvi	52.6 (3)
C31—C13D—C27C	93 (2)	C7B^vi—Y2—C9B^xxvi	106.82 (16)
C13C—C13E—C13D	3.9 (15)	C7A^vi—Y2—C9B^xxvi	103.4 (2)
C13C—C13E—C13B	20.2 (13)	C15^xiv—Y2—C9B^xxvi	53.34 (15)
C13D—C13E—C13B	18.8 (15)	C6^vi—Y2—C9B^xxvi	152.43 (15)
C13C—C13E—C27G^xiii	93 (3)	C9E^xxvi—Y2—C19C^xxvi	61.3 (12)
C13D—C13E—C27G^xiii	92 (3)	C9D^xxvi—Y2—C19C^xxvi	67.6 (7)
C13B—C13E—C27G^xiii	108 (3)	C9C^xxvi—Y2—C19C^xxvi	58.4 (5)
C13C—C13E—C14C^i	118 (4)	C19A^xiv—Y2—C19C^xxvi	75.5 (4)
C13D—C13E—C14C^i	114 (3)	C19A^xxvi—Y2—C19C^xxvi	18.2 (4)
C13B—C13E—C14C^i	108 (3)	C7B^vi—Y2—C19C^xxvi	152.7 (3)
C27G^xiii—C13E—C14C^i	73 (3)	C7A^vi—Y2—C19C^xxvi	151.9 (3)
C13C—C13E—C13A	29.4 (15)	C15^xiv—Y2—C19C^xxvi	96.21 (18)
C13D—C13E—C13A	28.8 (18)	C6^vi—Y2—C19C^xxvi	102.3 (2)
C13B—C13E—C13A	10.6 (4)	C9B^xxvi—Y2—C19C^xxvi	51.6 (2)
C27G^xiii—C13E—C13A	118 (3)	C9E^xxvi—Y2—C19C^xiv	63.4 (12)
C14C^i—C13E—C13A	108 (3)	C9D^xxvi—Y2—C19C^xiv	62.5 (8)
C13C—C13E—C16^iii	92 (3)	C9C^xxvi—Y2—C19C^xiv	74.7 (6)
C13D—C13E—C16^iii	96 (2)	C19A^xiv—Y2—C19C^xiv	18.2 (4)
C13B—C13E—C16^iii	103 (2)	C19A^xxvi—Y2—C19C^xiv	75.5 (4)
C27G^xiii—C13E—C16^iii	95 (3)	C7B^vi—Y2—C19C^xiv	103.7 (3)
C14C^i—C13E—C16^iii	148 (3)	C7A^vi—Y2—C19C^xiv	99.2 (3)
C13A—C13E—C16^iii	103 (2)	C15^xiv—Y2—C19C^xiv	55.2 (2)
C14B^i—C14A—C14C^i	39.6 (18)	C6^vi—Y2—C19C^xiv	101.99 (19)
C14B^i—C14A—C28	103.9 (15)	C9B^xxvi—Y2—C19C^xiv	89.9 (2)
C14C^i—C14A—C28	121.2 (17)	C19C^xxvi—Y2—C19C^xiv	93.7 (4)
C14B^i—C14A—C31	104.5 (14)	Y3C^xiv—Y3A—C31^xxiv	163.4 (15)
C14C^i—C14A—C31	101.6 (16)	Y3C^xiv—Y3A—C28^xxiv	156.5 (14)
C28—C14A—C31	30.8 (13)	C31^xxiv—Y3A—C28^xxiv	37.6 (12)
C14B^i—C14A—C27F	29.7 (13)	Y3C^xiv—Y3A—C12B^xxiv	60.4 (12)
C14C^i—C14A—C27F	37.3 (15)	C31^xxiv—Y3A—C12B^xxiv	106.1 (10)
C28—C14A—C27F	86.6 (12)	C28^xxiv—Y3A—C12B^xxiv	143.0 (8)
C31—C14A—C27F	77.3 (11)	Y3C^xiv—Y3A—C17B^xxiv	94.4 (12)
C14B^i—C14A—C13E	69.5 (14)	C31^xxiv—Y3A—C17B^xxiv	69.1 (11)
C14C^i—C14A—C13E	38.2 (17)	C28^xxiv—Y3A—C17B^xxiv	101.7 (9)
C28—C14A—C13E	96.9 (14)	C12B^xxiv—Y3A—C17B^xxiv	54.0 (7)
C31—C14A—C13E	68.9 (13)	Y3C^xiv—Y3A—C20B^xxiv	92.1 (12)
C27F—C14A—C13E	47.1 (12)	C31^xxiv—Y3A—C20B^xxiv	101.6 (11)
C14B^i—C14A—C13B	99.9 (10)	C28^xxiv—Y3A—C20B^xxiv	64.6 (8)
C14C^i—C14A—C13B	74.6 (14)	C12B^xxiv—Y3A—C20B^xxiv	152.3 (4)
C28—C14A—C13B	70.3 (10)	C17B^xxiv—Y3A—C20B^xxiv	139.1 (10)
C31—C14A—C13B	39.5 (9)	Y3C^xiv—Y3A—C18B^xiv	92.5 (12)
C27F—C14A—C13B	71.3 (7)	C31^xxiv—Y3A—C18B^xiv	83.3 (10)
C13E—C14A—C13B	36.4 (10)	C28^xxiv—Y3A—C18B^xiv	106.8 (7)
C14B^i—C14A—C9B^i	89.5 (11)	C12B^xxiv—Y3A—C18B^xiv	47.7 (3)
C14C^i—C14A—C9B^i	126.0 (14)	C17B^xxiv—Y3A—C18B^xiv	80.5 (7)
C28—C14A—C9B^i	38.5 (10)	C20B^xxiv—Y3A—C18B^xiv	139.4 (8)
C31—C14A—C9B^i	68.8 (9)	Y3C^xiv—Y3A—C25^xxiv	92.2 (11)
C27F—C14A—C9B^i	90.8 (6)	C31^xxiv—Y3A—C25^xxiv	83.0 (10)
C13E—C14A—C9B^i	125.3 (10)	C28^xxiv—Y3A—C25^xxiv	79.0 (7)
C13B—C14A—C9B^i	107.9 (2)	C12B^xxiv—Y3A—C25^xxiv	108.67 (19)
C14B^i—C14A—C27C^xiv	24.7 (12)	C17B^xxiv—Y3A—C25^xxiv	66.4 (6)
C14C^i—C14A—C27C^xiv	55.5 (14)	C20B^xxiv—Y3A—C25^xxiv	73.1 (7)
C28—C14A—C27C^xiv	79.2 (10)	C18B^xiv—Y3A—C25^xxiv	146.8 (3)
C31—C14A—C27C^xiv	82.7 (9)	Y3C^xiv—Y3A—C15^xiv	129.7 (11)
C27F—C14A—C27C^xiv	24.2 (8)	C31^xxiv—Y3A—C15^xiv	38.1 (10)
C13E—C14A—C27C^xiv	71.2 (10)	C28^xxiv—Y3A—C15^xiv	73.8 (7)
C13B—C14A—C27C^xiv	90.6 (3)	C12B^xxiv—Y3A—C15^xiv	69.3 (3)
C9B^i—C14A—C27C^xiv	70.6 (4)	C17B^xxiv—Y3A—C15^xiv	52.5 (3)
C14A^iv—C14B—C14C	115 (2)	C20B^xxiv—Y3A—C15^xiv	138.1 (4)
C14A^iv—C14B—C28^iv	53.8 (14)	C18B^xiv—Y3A—C15^xiv	50.4 (2)
C14C—C14B—C28^iv	130 (2)	C25^xxiv—Y3A—C15^xiv	103.51 (6)
C14A^iv—C14B—C27F^iv	139.2 (17)	Y3C^xiv—Y3A—C22^xiv	93.2 (11)
C14C—C14B—C27F^iv	56 (2)	C31^xxiv—Y3A—C22^xiv	100.1 (10)
C28^iv—C14B—C27F^iv	98.9 (13)	C28^xxiv—Y3A—C22^xiv	82.2 (7)
C14A^iv—C14B—C27C^x	146.2 (16)	C12B^xxiv—Y3A—C22^xiv	104.79 (17)
C14C—C14B—C27C^x	84 (2)	C17B^xxiv—Y3A—C22^xiv	148.2 (6)
C28^iv—C14B—C27C^x	92.4 (11)	C20B^xxiv—Y3A—C22^xiv	71.2 (7)
C27F^iv—C14B—C27C^x	32.3 (10)	C18B^xiv—Y3A—C22^xiv	68.3 (3)
C14A^iv—C14B—C16^xv	136.5 (13)	C25^xxiv—Y3A—C22^xiv	144.11 (7)
C14C—C14B—C16^xv	56 (2)	C15^xiv—Y3A—C22^xiv	100.08 (5)
C28^iv—C14B—C16^xv	167.8 (12)	Y3C^xiv—Y3A—C18A^xiv	93.4 (11)
C27F^iv—C14B—C16^xv	75.8 (12)	C31^xxiv—Y3A—C18A^xiv	84.1 (10)
C27C^x—C14B—C16^xv	77.2 (9)	C28^xxiv—Y3A—C18A^xiv	104.5 (7)
C14A^iv—C14B—C27B^x	131.4 (16)	C12B^xxiv—Y3A—C18A^xiv	52.7 (3)
C14C—C14B—C27B^x	100 (2)	C17B^xxiv—Y3A—C18A^xiv	86.5 (6)
C28^iv—C14B—C27B^x	78.1 (10)	C20B^xxiv—Y3A—C18A^xiv	133.3 (8)
C27F^iv—C14B—C27B^x	45.1 (10)	C18B^xiv—Y3A—C18A^xiv	6.14 (15)
C27C^x—C14B—C27B^x	16.6 (4)	C25^xxiv—Y3A—C18A^xiv	152.66 (18)
C16^xv—C14B—C27B^x	90.7 (8)	C15^xiv—Y3A—C18A^xiv	53.60 (11)
C14A^iv—C14B—C13E^iv	93.7 (15)	C22^xiv—Y3A—C18A^xiv	62.17 (18)
C14C—C14B—C13E^iv	36 (2)	Y3C^xiv—Y3A—C13A^xxiv	129.6 (11)
C28^iv—C14B—C13E^iv	94.0 (14)	C31^xxiv—Y3A—C13A^xxiv	37.9 (10)
C27F^iv—C14B—C13E^iv	54.8 (15)	C28^xxiv—Y3A—C13A^xxiv	59.0 (7)
C27C^x—C14B—C13E^iv	86.7 (12)	C12B^xxiv—Y3A—C13A^xxiv	97.5 (2)
C16^xv—C14B—C13E^iv	91.8 (12)	C17B^xxiv—Y3A—C13A^xxiv	44.6 (7)
C27B^x—C14B—C13E^iv	95.9 (12)	C20B^xxiv—Y3A—C13A^xxiv	103.4 (5)
C14A^iv—C14B—C27G^xvi	123.3 (15)	C18B^xiv—Y3A—C13A^xxiv	104.3 (2)
C14C—C14B—C27G^xvi	50 (2)	C25^xxiv—Y3A—C13A^xxiv	49.84 (8)
C28^iv—C14B—C27G^xvi	92.7 (12)	C15^xiv—Y3A—C13A^xxiv	54.75 (7)
C27F^iv—C14B—C27G^xvi	17.4 (11)	C22^xiv—Y3A—C13A^xxiv	137.16 (8)
C27C^x—C14B—C27G^xvi	48.1 (9)	C18A^xiv—Y3A—C13A^xxiv	108.14 (14)
C16^xv—C14B—C27G^xvi	85.2 (10)	Y3A^xiii—Y3C—C12B^iv	106.8 (13)
C27B^x—C14B—C27G^xvi	58.1 (9)	Y3A^xiii—Y3C—C26	177.1 (15)
C13E^iv—C14B—C27G^xvi	38.6 (13)	C12B^iv—Y3C—C26	70.3 (6)
C14A^iv—C14B—C27G^iv	152.5 (16)	Y3A^xiii—Y3C—C12A	116.7 (13)
C14C—C14B—C27G^iv	59 (2)	C12B^iv—Y3C—C12A	9.8 (3)
C28^iv—C14B—C27G^iv	107.0 (12)	C26—Y3C—C12A	60.5 (4)
C27F^iv—C14B—C27G^iv	13.5 (12)	Y3A^xiii—Y3C—C4	122.7 (13)
C27C^x—C14B—C27G^iv	25.0 (9)	C12B^iv—Y3C—C4	118.7 (7)
C16^xv—C14B—C27G^iv	65.8 (9)	C26—Y3C—C4	59.2 (4)
C27B^x—C14B—C27G^iv	40.8 (8)	C12A—Y3C—C4	110.4 (6)
C13E^iv—C14B—C27G^iv	66.0 (14)	Y3A^xiii—Y3C—C1^iv	122.6 (13)
C27G^xvi—C14B—C27G^iv	30.5 (15)	C12B^iv—Y3C—C1^iv	65.2 (4)
C14A^iv—C14B—C27A^x	117.3 (15)	C26—Y3C—C1^iv	57.1 (4)
C14C—C14B—C27A^x	112 (2)	C12A—Y3C—C1^iv	61.2 (3)
C28^iv—C14B—C27A^x	64.5 (10)	C4—Y3C—C1^iv	107.6 (7)
C27F^iv—C14B—C27A^x	55.7 (10)	Y3A^xiii—Y3C—C4^iv	124.0 (13)
C27C^x—C14B—C27A^x	30.7 (6)	C12B^iv—Y3C—C4^iv	118.2 (8)
C16^xv—C14B—C27A^x	103.8 (8)	C26—Y3C—C4^iv	58.6 (4)
C27B^x—C14B—C27A^x	14.3 (3)	C12A—Y3C—C4^iv	110.1 (7)
C13E^iv—C14B—C27A^x	100.7 (12)	C4—Y3C—C4^iv	61.0 (3)
C27G^xvi—C14B—C27A^x	65.6 (9)	C1^iv—Y3C—C4^iv	58.9 (3)
C27G^iv—C14B—C27A^x	53.8 (9)	Y3A^xiii—Y3C—C1	121.7 (13)
C14B—C14C—C14A^iv	25.5 (13)	C12B^iv—Y3C—C1	65.3 (4)
C14B—C14C—C27F^iv	89 (3)	C26—Y3C—C1	56.9 (4)
C14A^iv—C14C—C27F^iv	106 (2)	C12A—Y3C—C1	60.7 (3)
C14B—C14C—C13E^iv	121 (3)	C4—Y3C—C1	59.1 (3)
C14A^iv—C14C—C13E^iv	106 (3)	C1^iv—Y3C—C1	106.4 (6)
C27F^iv—C14C—C13E^iv	78 (3)	C4^iv—Y3C—C1	107.0 (6)
C14B—C14C—C16^xv	93 (2)	Y3A^xiii—Y3C—C31^iv	12.7 (12)
C14A^iv—C14C—C16^xv	109 (2)	C12B^iv—Y3C—C31^iv	96.7 (10)
C27F^iv—C14C—C16^xv	95 (2)	C26—Y3C—C31^iv	165.3 (9)
C13E^iv—C14C—C16^xv	145 (3)	C12A—Y3C—C31^iv	106.5 (9)
C14B—C14C—C21C^xvii	140 (3)	C4—Y3C—C31^iv	135.4 (10)
C14A^iv—C14C—C21C^xvii	160 (3)	C1^iv—Y3C—C31^iv	111.7 (9)
C27F^iv—C14C—C21C^xvii	53.6 (18)	C4^iv—Y3C—C31^iv	126.4 (10)
C13E^iv—C14C—C21C^xvii	70 (2)	C1—Y3C—C31^iv	124.9 (10)
C16^xv—C14C—C21C^xvii	78.8 (17)	C13E^xxvi—Y4—C14C^xxviii	44.9 (16)
C14B—C14C—C27G^xvi	104 (3)	C13E^xxvi—Y4—C11C^xxvi	115.0 (17)
C14A^iv—C14C—C27G^xvi	113 (2)	C14C^xxviii—Y4—C11C^xxvi	72.3 (16)
C27F^iv—C14C—C27G^xvi	25.4 (14)	C13E^xxvi—Y4—C21C^vi	45.7 (13)
C13E^iv—C14C—C27G^xvi	52 (2)	C14C^xxviii—Y4—C21C^vi	42.2 (12)
C16^xv—C14C—C27G^xvi	114 (2)	C11C^xxvi—Y4—C21C^vi	100.8 (13)
C21C^xvii—C14C—C27G^xvi	48.0 (17)	C13E^xxvi—Y4—C17A^vi	149.8 (12)
C14B—C14C—C27C^x	65 (2)	C14C^xxviii—Y4—C17A^vi	106.1 (10)
C14A^iv—C14C—C27C^x	87.5 (17)	C11C^xxvi—Y4—C17A^vi	44.1 (12)
C27F^iv—C14C—C27C^x	29.1 (13)	C21C^vi—Y4—C17A^vi	109.4 (6)
C13E^iv—C14C—C27C^x	104 (2)	C13E^xxvi—Y4—C13C^xxvi	16.5 (13)
C16^xv—C14C—C27C^x	80.7 (15)	C14C^xxviii—Y4—C13C^xxvi	52.2 (10)
C21C^xvii—C14C—C27C^x	74.9 (17)	C11C^xxvi—Y4—C13C^xxvi	113.7 (12)
C27G^xvi—C14C—C27C^x	53.7 (14)	C21C^vi—Y4—C13C^xxvi	62.0 (8)
C14B—C14C—C27G^iv	95 (3)	C17A^vi—Y4—C13C^xxvi	156.6 (3)
C14A^iv—C14C—C27G^iv	116 (2)	C13E^xxvi—Y4—C7A^xxvi	66.9 (12)
C27F^iv—C14C—C27G^iv	16.6 (14)	C14C^xxviii—Y4—C7A^xxvi	109.4 (10)
C13E^iv—C14C—C27G^iv	88 (2)	C11C^xxvi—Y4—C7A^xxvi	143.7 (11)
C16^xv—C14C—C27G^iv	79.7 (16)	C21C^vi—Y4—C7A^xxvi	103.0 (7)
C21C^xvii—C14C—C27G^iv	45.2 (15)	C17A^vi—Y4—C7A^xxvi	143.4 (2)
C27G^xvi—C14C—C27G^iv	37 (2)	C13C^xxvi—Y4—C7A^xxvi	57.2 (3)
C27C^x—C14C—C27G^iv	29.8 (11)	C13E^xxvi—Y4—C18B^vi	105.4 (12)
C14B—C14C—Y4^xviii	132 (3)	C14C^xxviii—Y4—C18B^vi	148.8 (10)
C14A^iv—C14C—Y4^xviii	108.2 (19)	C11C^xxvi—Y4—C18B^vi	138.8 (12)
C27F^iv—C14C—Y4^xviii	135 (2)	C21C^vi—Y4—C18B^vi	113.5 (6)
C13E^iv—C14C—Y4^xviii	66 (2)	C17A^vi—Y4—C18B^vi	100.8 (3)
C16^xv—C14C—Y4^xviii	99.9 (17)	C13C^xxvi—Y4—C18B^vi	102.5 (4)
C21C^xvii—C14C—Y4^xviii	88.4 (18)	C7A^xxvi—Y4—C18B^vi	49.2 (3)
C27G^xvi—C14C—Y4^xviii	112 (2)	C13E^xxvi—Y4—C12A^vi	82.5 (12)
C27C^x—C14C—Y4^xviii	163 (2)	C14C^xxviii—Y4—C12A^vi	105.4 (10)
C27G^iv—C14C—Y4^xviii	133 (2)	C11C^xxvi—Y4—C12A^vi	138.5 (11)
C14B—C14C—C13C^iv	96 (2)	C21C^vi—Y4—C12A^vi	63.5 (6)
C14A^iv—C14C—C13C^iv	82.8 (16)	C17A^vi—Y4—C12A^vi	102.15 (10)
C27F^iv—C14C—C13C^iv	75.0 (19)	C13C^xxvi—Y4—C12A^vi	93.1 (3)
C13E^iv—C14C—C13C^iv	24.6 (18)	C7A^xxvi—Y4—C12A^vi	77.2 (2)
C16^xv—C14C—C13C^iv	167 (2)	C18B^vi—Y4—C12A^vi	52.8 (2)
C21C^xvii—C14C—C13C^iv	88.1 (18)	C13E^xxvi—Y4—C14B^xxviii	52.0 (12)
C27G^xvi—C14C—C13C^iv	54.1 (14)	C14C^xxviii—Y4—C14B^xxviii	15.7 (10)
C27C^x—C14C—C13C^iv	94.2 (15)	C11C^xxvi—Y4—C14B^xxviii	63.0 (12)
C27G^iv—C14C—C13C^iv	89.8 (17)	C21C^vi—Y4—C14B^xxviii	57.9 (7)
Y4^xviii—C14C—C13C^iv	81.4 (13)	C17A^vi—Y4—C14B^xxviii	102.7 (3)
C29—C15—C9D^ix	122.0 (19)	C13C^xxvi—Y4—C14B^xxviii	53.9 (4)
C29—C15—C9E^ix	110.3 (19)	C7A^xxvi—Y4—C14B^xxviii	108.8 (4)
C9D^ix—C15—C9E^ix	26.5 (18)	C18B^vi—Y4—C14B^xxviii	156.4 (4)
C29—C15—C31^iv	151.6 (16)	C12A^vi—Y4—C14B^xxviii	121.0 (3)
C9D^ix—C15—C31^iv	84.5 (19)	C13E^xxvi—Y4—C21B^xxix	62.3 (12)
C9E^ix—C15—C31^iv	98.1 (19)	C14C^xxviii—Y4—C21B^xxix	62.9 (10)
C29—C15—C9C^ix	108.8 (13)	C11C^xxvi—Y4—C21B^xxix	108.0 (11)
C9D^ix—C15—C9C^ix	13.3 (16)	C21C^vi—Y4—C21B^xxix	21.7 (7)
C9E^ix—C15—C9C^ix	25.7 (16)	C17A^vi—Y4—C21B^xxix	99.81 (9)
C31^iv—C15—C9C^ix	97.3 (13)	C13C^xxvi—Y4—C21B^xxix	78.6 (4)
C29—C15—C13D^iv	132.0 (14)	C7A^xxvi—Y4—C21B^xxix	104.20 (19)
C9D^ix—C15—C13D^iv	71.0 (17)	C18B^vi—Y4—C21B^xxix	97.5 (2)
C9E^ix—C15—C13D^iv	96.2 (18)	C12A^vi—Y4—C21B^xxix	44.95 (10)
C31^iv—C15—C13D^iv	41.8 (13)	C14B^xxviii—Y4—C21B^xxix	78.5 (4)
C9C^ix—C15—C13D^iv	79.0 (12)	C13E^xxvi—Y4—C25^xxvi	81.9 (12)
C29—C15—C27A^iv	146.7 (12)	C14C^xxviii—Y4—C25^xxvi	80.6 (10)
C9D^ix—C15—C27A^iv	24.7 (16)	C11C^xxvi—Y4—C25^xxvi	71.5 (11)
C9E^ix—C15—C27A^iv	42.0 (15)	C21C^vi—Y4—C25^xxvi	119.1 (6)
C31^iv—C15—C27A^iv	60.0 (12)	C17A^vi—Y4—C25^xxvi	104.31 (8)
C9C^ix—C15—C27A^iv	38.0 (7)	C13C^xxvi—Y4—C25^xxvi	66.9 (4)
C13D^iv—C15—C27A^iv	56.5 (11)	C7A^xxvi—Y4—C25^xxvi	73.1 (2)
C29—C15—C18B	67.9 (12)	C18B^vi—Y4—C25^xxvi	107.80 (19)
C9D^ix—C15—C18B	134.5 (13)	C12A^vi—Y4—C25^xxvi	149.96 (9)
C9E^ix—C15—C18B	109.2 (15)	C14B^xxviii—Y4—C25^xxvi	66.1 (4)
C31^iv—C15—C18B	102.0 (12)	C21B^xxix—Y4—C25^xxvi	140.58 (13)
C9C^ix—C15—C18B	133.7 (6)	C5B^xxx—Y5A—C5B^xxxi	109.8 (12)
C13D^iv—C15—C18B	139.4 (9)	C5B^xxx—Y5A—C5B^xxxii	109.8 (12)
C27A^iv—C15—C18B	130.6 (5)	C5B^xxxi—Y5A—C5B^xxxii	109.8 (12)
C29—C15—C17B^iv	75.1 (14)	C5B^xxx—Y5A—C20A^xxiv	43.1 (13)
C9D^ix—C15—C17B^iv	130.1 (14)	C5B^xxxi—Y5A—C20A^xxiv	140.4 (13)
C9E^ix—C15—C17B^iv	155.5 (16)	C5B^xxxii—Y5A—C20A^xxiv	107.4 (13)
C31^iv—C15—C17B^iv	79.6 (15)	C5B^xxx—Y5A—C20A^xiv	140.4 (13)
C9C^ix—C15—C17B^iv	129.9 (7)	C5B^xxxi—Y5A—C20A^xiv	107.4 (13)
C13D^iv—C15—C17B^iv	65.7 (13)	C5B^xxxii—Y5A—C20A^xiv	43.1 (13)
C27A^iv—C15—C17B^iv	122.1 (9)	C20A^xxiv—Y5A—C20A^xiv	108.73 (5)
C18B—C15—C17B^iv	95.1 (6)	C5B^xxx—Y5A—C20A^xxxiii	107.4 (13)
C29—C15—C27E^ix	147.5 (12)	C5B^xxxi—Y5A—C20A^xxxiii	43.1 (13)
C9D^ix—C15—C27E^ix	29.2 (15)	C5B^xxxii—Y5A—C20A^xxxiii	140.4 (13)
C9E^ix—C15—C27E^ix	37.5 (15)	C20A^xxiv—Y5A—C20A^xxxiii	108.73 (5)
C31^iv—C15—C27E^ix	60.9 (12)	C20A^xiv—Y5A—C20A^xxxiii	108.73 (5)
C9C^ix—C15—C27E^ix	41.9 (8)	C5B^xxx—Y5A—C20B^xxiv	47.0 (14)
C13D^iv—C15—C27E^ix	66.1 (10)	C5B^xxxi—Y5A—C20B^xxiv	147.6 (14)
C27A^iv—C15—C27E^ix	12.1 (3)	C5B^xxxii—Y5A—C20B^xxiv	100.7 (14)
C18B—C15—C27E^ix	118.6 (5)	C20A^xxiv—Y5A—C20B^xxiv	7.1 (6)
C17B^iv—C15—C27E^ix	131.4 (9)	C20A^xiv—Y5A—C20B^xxiv	102.3 (5)
C29—C15—C10A^ix	32.7 (12)	C20A^xxxiii—Y5A—C20B^xxiv	114.4 (5)
C9D^ix—C15—C10A^ix	89.3 (15)	C5B^xxx—Y5A—C20B^xiv	147.6 (14)
C9E^ix—C15—C10A^ix	81.2 (15)	C5B^xxxi—Y5A—C20B^xiv	100.7 (14)
C31^iv—C15—C10A^ix	166.4 (12)	C5B^xxxii—Y5A—C20B^xiv	47.0 (14)
C9C^ix—C15—C10A^ix	76.1 (7)	C20A^xxiv—Y5A—C20B^xiv	114.4 (5)
C13D^iv—C15—C10A^ix	124.6 (6)	C20A^xiv—Y5A—C20B^xiv	7.1 (6)
C27A^iv—C15—C10A^ix	114.0 (3)	C20A^xxxiii—Y5A—C20B^xiv	102.3 (5)
C18B—C15—C10A^ix	91.0 (3)	C20B^xxiv—Y5A—C20B^xiv	108.2 (3)
C17B^iv—C15—C10A^ix	95.4 (8)	C5B^xxx—Y5A—C20B^xxxiii	100.7 (14)
C27E^ix—C15—C10A^ix	116.2 (4)	C5B^xxxi—Y5A—C20B^xxxiii	47.0 (14)
C30—C16—C14C^xxv	116 (2)	C5B^xxxii—Y5A—C20B^xxxiii	147.6 (14)
C30—C16—C13E^ii	148 (2)	C20A^xxiv—Y5A—C20B^xxxiii	102.3 (5)
C14C^xxv—C16—C13E^ii	96.1 (18)	C20A^xiv—Y5A—C20B^xxxiii	114.4 (5)
C30—C16—C14B^xxv	111.9 (19)	C20A^xxxiii—Y5A—C20B^xxxiii	7.1 (6)
C14C^xxv—C16—C14B^xxv	31.1 (13)	C20B^xxiv—Y5A—C20B^xxxiii	108.2 (3)
C13E^ii—C16—C14B^xxv	96.8 (15)	C20B^xiv—Y5A—C20B^xxxiii	108.2 (3)
C30—C16—C13C^ii	137.4 (19)	C5B^xxx—Y5A—C4^xxiv	83.9 (13)
C14C^xxv—C16—C13C^ii	96.0 (13)	C5B^xxxi—Y5A—C4^xxiv	101.6 (13)
C13E^ii—C16—C13C^ii	31.0 (15)	C5B^xxxii—Y5A—C4^xxiv	137.9 (13)
C14B^xxv—C16—C13C^ii	81.2 (6)	C20A^xxiv—Y5A—C4^xxiv	55.75 (8)
C30—C16—C21C^iv	137 (2)	C20A^xiv—Y5A—C4^xxiv	101.40 (5)
C14C^xxv—C16—C21C^iv	53.5 (14)	C20A^xxxiii—Y5A—C4^xxiv	58.88 (11)
C13E^ii—C16—C21C^iv	61.3 (16)	C20B^xxiv—Y5A—C4^xxiv	59.2 (5)
C14B^xxv—C16—C21C^iv	79.1 (9)	C20B^xiv—Y5A—C4^xxiv	100.8 (3)
C13C^ii—C16—C21C^iv	84.3 (10)	C20B^xxxiii—Y5A—C4^xxiv	54.6 (5)
C30—C16—C11B^xix	36.0 (19)	C5B^xxx—Y5A—C4^xiv	101.6 (13)
C14C^xxv—C16—C11B^xix	84.7 (12)	C5B^xxxi—Y5A—C4^xiv	137.9 (13)
C13E^ii—C16—C11B^xix	164.6 (14)	C5B^xxxii—Y5A—C4^xiv	83.9 (13)
C14B^xxv—C16—C11B^xix	75.9 (5)	C20A^xxiv—Y5A—C4^xiv	58.88 (11)
C13C^ii—C16—C11B^xix	133.6 (5)	C20A^xiv—Y5A—C4^xiv	55.75 (8)
C21C^iv—C16—C11B^xix	128.7 (8)	C20A^xxxiii—Y5A—C4^xiv	101.40 (5)
C30—C16—C27F^xix	156 (2)	C20B^xxiv—Y5A—C4^xiv	54.6 (5)
C14C^xxv—C16—C27F^xix	39.6 (14)	C20B^xiv—Y5A—C4^xiv	59.2 (5)
C13E^ii—C16—C27F^xix	56.6 (16)	C20B^xxxiii—Y5A—C4^xiv	100.8 (3)
C14B^xxv—C16—C27F^xix	48.3 (8)	C4^xxiv—Y5A—C4^xiv	54.04 (3)
C13C^ii—C16—C27F^xix	61.1 (9)	C5B^xxx—Y5A—C4^xxxiii	137.9 (13)
C21C^iv—C16—C27F^xix	38.8 (10)	C5B^xxxi—Y5A—C4^xxxiii	83.9 (13)
C11B^xix—C16—C27F^xix	121.8 (8)	C5B^xxxii—Y5A—C4^xxxiii	101.6 (13)
C30—C16—C12B^iv	63.0 (19)	C20A^xxiv—Y5A—C4^xxxiii	101.40 (5)
C14C^xxv—C16—C12B^iv	108.7 (12)	C20A^xiv—Y5A—C4^xxxiii	58.88 (11)
C13E^ii—C16—C12B^iv	106.0 (14)	C20A^xxxiii—Y5A—C4^xxxiii	55.75 (8)
C14B^xxv—C16—C12B^iv	136.7 (4)	C20B^xxiv—Y5A—C4^xxxiii	100.8 (3)
C13C^ii—C16—C12B^iv	133.8 (5)	C20B^xiv—Y5A—C4^xxxiii	54.6 (5)
C21C^iv—C16—C12B^iv	80.4 (9)	C20B^xxxiii—Y5A—C4^xxxiii	59.2 (5)
C11B^xix—C16—C12B^iv	88.2 (3)	C4^xxiv—Y5A—C4^xxxiii	54.04 (3)
C27F^xix—C16—C12B^iv	119.0 (7)	C4^xiv—Y5A—C4^xxxiii	54.04 (3)
C30—C16—C7A^ii	66.9 (18)	C27B^x—Y6—C27B^iv	119.42 (19)
C14C^xxv—C16—C7A^ii	164.2 (12)	C27B^x—Y6—C27B^xvi	119.42 (19)
C13E^ii—C16—C7A^ii	82.7 (14)	C27B^iv—Y6—C27B^xvi	119.42 (19)
C14B^xxv—C16—C7A^ii	133.2 (4)	C27B^x—Y6—C27E^ix	116.5 (9)
C13C^ii—C16—C7A^ii	74.9 (5)	C27B^iv—Y6—C27E^ix	44.9 (8)
C21C^iv—C16—C7A^ii	135.9 (8)	C27B^xvi—Y6—C27E^ix	114.3 (7)
C11B^xix—C16—C7A^ii	92.4 (3)	C27B^x—Y6—C27E^viii	114.3 (7)
C27F^xix—C16—C7A^ii	135.5 (8)	C27B^iv—Y6—C27E^viii	116.5 (9)
C12B^iv—C16—C7A^ii	86.7 (4)	C27B^xvi—Y6—C27E^viii	44.9 (8)
C30—C16—C11C^xix	41 (2)	C27E^ix—Y6—C27E^viii	82.4 (14)
C14C^xxv—C16—C11C^xix	75.1 (16)	C27B^x—Y6—C27E	44.9 (8)
C13E^ii—C16—C11C^xix	171.2 (17)	C27B^iv—Y6—C27E	114.3 (7)
C14B^xxv—C16—C11C^xix	75.6 (11)	C27B^xvi—Y6—C27E	116.5 (9)
C13C^ii—C16—C11C^xix	148.0 (12)	C27E^ix—Y6—C27E	82.4 (14)
C21C^iv—C16—C11C^xix	112.1 (14)	C27E^viii—Y6—C27E	82.4 (14)
C11B^xix—C16—C11C^xix	17.9 (12)	C27B^x—Y6—C27C^x	23.1 (4)
C27F^xix—C16—C11C^xix	114.6 (13)	C27B^iv—Y6—C27C^x	114.4 (8)
C12B^iv—C16—C11C^xix	77.5 (12)	C27B^xvi—Y6—C27C^x	113.6 (8)
C7A^ii—C16—C11C^xix	105.7 (11)	C27E^ix—Y6—C27C^x	131.0 (8)
C30—C16—C13D^ii	133 (2)	C27E^viii—Y6—C27C^x	128.1 (7)
C14C^xxv—C16—C13D^ii	95.2 (16)	C27E—Y6—C27C^x	68.0 (10)
C13E^ii—C16—C13D^ii	38.8 (16)	C27B^x—Y6—C27C^iv	113.6 (8)
C14B^xxv—C16—C13D^ii	77.0 (10)	C27B^iv—Y6—C27C^iv	23.1 (4)
C13C^ii—C16—C13D^ii	7.8 (7)	C27B^xvi—Y6—C27C^iv	114.4 (8)
C21C^iv—C16—C13D^ii	90.0 (11)	C27E^ix—Y6—C27C^iv	68.0 (10)
C11B^xix—C16—C13D^ii	125.7 (7)	C27E^viii—Y6—C27C^iv	131.0 (8)
C27F^xix—C16—C13D^ii	63.2 (11)	C27E—Y6—C27C^iv	128.1 (7)
C12B^iv—C16—C13D^ii	140.6 (9)	C27C^x—Y6—C27C^iv	100.4 (9)
C7A^ii—C16—C13D^ii	73.9 (9)	C27B^x—Y6—C27C^xvi	114.4 (8)
C11C^xix—C16—C13D^ii	140.3 (14)	C27B^iv—Y6—C27C^xvi	113.6 (8)
C11C^ii—C17A—C12B	87.0 (13)	C27B^xvi—Y6—C27C^xvi	23.1 (4)
C11C^ii—C17A—C29^i	70.7 (15)	C27E^ix—Y6—C27C^xvi	128.1 (7)
C12B—C17A—C29^i	68.5 (7)	C27E^viii—Y6—C27C^xvi	68.0 (10)
C11C^ii—C17A—C11B^ii	15.7 (13)	C27E—Y6—C27C^xvi	131.0 (8)
C12B—C17A—C11B^ii	87.3 (4)	C27C^x—Y6—C27C^xvi	100.4 (9)
C29^i—C17A—C11B^ii	56.4 (7)	C27C^iv—Y6—C27C^xvi	100.4 (9)
C11C^ii—C17A—C30^i	42.8 (17)	C27B^x—Y6—C27F^x	84.8 (13)
C12B—C17A—C30^i	53.1 (11)	C27B^iv—Y6—C27F^x	113.4 (14)
C29^i—C17A—C30^i	39.3 (12)	C27B^xvi—Y6—C27F^x	59.8 (12)
C11B^ii—C17A—C30^i	36.2 (10)	C27E^ix—Y6—C27F^x	154.4 (14)
C11C^ii—C17A—C13A	139.4 (13)	C27E^viii—Y6—C27F^x	102.4 (13)
C12B—C17A—C13A	123.4 (3)	C27E—Y6—C27F^x	123.0 (13)
C29^i—C17A—C13A	94.4 (7)	C27C^x—Y6—C27F^x	65.2 (14)
C11B^ii—C17A—C13A	128.3 (3)	C27C^iv—Y6—C27F^x	91.1 (14)
C30^i—C17A—C13A	133.6 (10)	C27C^xvi—Y6—C27F^x	38.7 (12)
C11C^ii—C17A—C15^i	100.4 (14)	C27B^x—Y6—C27F^iv	59.8 (12)
C12B—C17A—C15^i	80.5 (3)	C27B^iv—Y6—C27F^iv	84.8 (13)
C29^i—C17A—C15^i	31.9 (7)	C27B^xvi—Y6—C27F^iv	113.4 (14)
C11B^ii—C17A—C15^i	85.1 (3)	C27E^ix—Y6—C27F^iv	123.0 (13)
C30^i—C17A—C15^i	70.4 (10)	C27E^viii—Y6—C27F^iv	154.4 (15)
C13A—C17A—C15^i	63.97 (18)	C27E—Y6—C27F^iv	102.4 (13)
C11C^ii—C17A—C1	118.0 (14)	C27C^x—Y6—C27F^iv	38.7 (12)
C12B—C17A—C1	66.4 (3)	C27C^iv—Y6—C27F^iv	65.2 (14)
C29^i—C17A—C1	133.2 (7)	C27C^xvi—Y6—C27F^iv	91.1 (14)
C11B^ii—C17A—C1	131.5 (4)	C27F^x—Y6—C27F^iv	53.7 (17)
C30^i—C17A—C1	113.6 (10)	C31—C28—C14A	113 (2)
C13A—C17A—C1	99.9 (3)	C31—C28—C9B^i	139 (2)
C15^i—C17A—C1	126.1 (2)	C14A—C28—C9B^i	105.2 (15)
C11C^ii—C17A—C3^ii	57.5 (13)	C31—C28—C9A^i	142 (2)
C12B—C17A—C3^ii	135.1 (4)	C14A—C28—C9A^i	103.9 (15)
C29^i—C17A—C3^ii	116.1 (7)	C9B^i—C28—C9A^i	9.9 (3)
C11B^ii—C17A—C3^ii	65.8 (3)	C31—C28—C14B^i	114 (2)
C30^i—C17A—C3^ii	100.2 (11)	C14A—C28—C14B^i	22.4 (6)
C13A—C17A—C3^ii	101.28 (19)	C9B^i—C28—C14B^i	97.1 (14)
C15^i—C17A—C3^ii	128.48 (8)	C9A^i—C28—C14B^i	99.5 (13)
C1—C17A—C3^ii	104.45 (7)	C31—C28—C9C^i	132 (2)
C11C^ii—C17A—C11A^ii	12.1 (14)	C14A—C28—C9C^i	98.3 (14)
C12B—C17A—C11A^ii	92.9 (4)	C9B^i—C28—C9C^i	23.2 (8)
C29^i—C17A—C11A^ii	63.4 (7)	C9A^i—C28—C9C^i	32.6 (9)
C11B^ii—C17A—C11A^ii	7.6 (2)	C14B^i—C28—C9C^i	83.3 (13)
C30^i—C17A—C11A^ii	43.2 (10)	C31—C28—Y3A^xx	69.7 (19)
C13A—C17A—C11A^ii	128.07 (11)	C14A—C28—Y3A^xx	111.1 (14)
C15^i—C17A—C11A^ii	91.07 (15)	C9B^i—C28—Y3A^xx	108.8 (13)
C1—C17A—C11A^ii	130.1 (3)	C9A^i—C28—Y3A^xx	100.7 (12)
C3^ii—C17A—C11A^ii	58.29 (14)	C14B^i—C28—Y3A^xx	133.1 (15)
C13A—C17B—C11C^ii	139.4 (14)	C9C^i—C28—Y3A^xx	131.1 (15)
C13A—C17B—C13B	6.5 (2)	C31—C28—C27A^xiv	103 (2)
C11C^ii—C17B—C13B	135.8 (14)	C14A—C28—C27A^xiv	93.3 (13)
C13A—C17B—C15^i	68.9 (7)	C9B^i—C28—C27A^xiv	60.3 (9)
C11C^ii—C17B—C15^i	94.7 (15)	C9A^i—C28—C27A^xiv	70.0 (9)
C13B—C17B—C15^i	62.6 (6)	C14B^i—C28—C27A^xiv	71.3 (11)
C13A—C17B—C12B	130.6 (11)	C9C^i—C28—C27A^xiv	37.6 (9)
C11C^ii—C17B—C12B	78.0 (16)	Y3A^xx—C28—C27A^xiv	155.5 (14)
C13B—C17B—C12B	127.6 (9)	C31—C28—C13B	39.9 (17)
C15^i—C17B—C12B	79.2 (6)	C14A—C28—C13B	73.6 (10)
C13A—C17B—C29^i	98.9 (10)	C9B^i—C28—C13B	167.3 (15)
C11C^ii—C17B—C29^i	64.6 (16)	C9A^i—C28—C13B	176.1 (14)
C13B—C17B—C29^i	92.3 (9)	C14B^i—C28—C13B	77.0 (10)
C15^i—C17B—C29^i	31.7 (7)	C9C^i—C28—C13B	144.2 (15)
C12B—C17B—C29^i	64.8 (9)	Y3A^xx—C28—C13B	83.0 (9)
C13A—C17B—C24	93.8 (11)	C27A^xiv—C28—C13B	107.0 (10)
C11C^ii—C17B—C24	97.6 (15)	C31—C28—C19B^i	68.0 (19)
C13B—C17B—C24	100.2 (12)	C14A—C28—C19B^i	166.4 (16)
C15^i—C17B—C24	162.7 (16)	C9B^i—C28—C19B^i	71.2 (10)
C12B—C17B—C24	115.3 (8)	C9A^i—C28—C19B^i	74.9 (9)
C29^i—C17B—C24	162.1 (16)	C14B^i—C28—C19B^i	144.1 (14)
C13A—C17B—C1	109.4 (13)	C9C^i—C28—C19B^i	73.3 (10)
C11C^ii—C17B—C1	109.2 (17)	Y3A^xx—C28—C19B^i	82.3 (9)
C13B—C17B—C1	114.3 (13)	C27A^xiv—C28—C19B^i	73.5 (9)
C15^i—C17B—C1	130.6 (7)	C13B—C28—C19B^i	106.9 (10)
C12B—C17B—C1	65.2 (5)	C15—C29—C10A^ix	119.1 (19)
C29^i—C17B—C1	129.7 (11)	C15—C29—C30	147 (2)
C24—C17B—C1	55.7 (3)	C10A^ix—C29—C30	91 (2)
C19C—C18A—C12B^iv	126.0 (4)	C15—C29—C10B^ix	110.6 (17)
C19C—C18A—C19B	6.3 (3)	C10A^ix—C29—C10B^ix	8.7 (3)
C12B^iv—C18A—C19B	122.2 (2)	C30—C29—C10B^ix	100 (2)
C19C—C18A—C29	95.2 (7)	C15—C29—C11B^xix	132.5 (17)
C12B^iv—C18A—C29	64.3 (7)	C10A^ix—C29—C11B^xix	71.4 (11)
C19B—C18A—C29	89.0 (6)	C30—C29—C11B^xix	41.2 (16)
C19C—C18A—C7A^ii	127.8 (4)	C10B^ix—C29—C11B^xix	78.1 (11)
C12B^iv—C18A—C7A^ii	81.1 (4)	C15—C29—C18B	78.6 (13)
C19B—C18A—C7A^ii	123.9 (2)	C10A^ix—C29—C18B	131.8 (16)
C29—C18A—C7A^ii	53.6 (7)	C30—C29—C18B	92 (2)
C19C—C18A—C1	107.0 (4)	C10B^ix—C29—C18B	131.2 (15)
C12B^iv—C18A—C1	65.8 (3)	C11B^xix—C29—C18B	131.8 (13)
C19B—C18A—C1	110.6 (2)	C15—C29—C7A^ii	130.7 (17)
C29—C18A—C1	129.3 (7)	C10A^ix—C29—C7A^ii	75.2 (11)
C7A^ii—C18A—C1	125.3 (3)	C30—C29—C7A^ii	66.6 (18)
C19C—C18A—C15	65.8 (2)	C10B^ix—C29—C7A^ii	79.3 (11)
C12B^iv—C18A—C15	77.6 (3)	C11B^xix—C29—C7A^ii	96.6 (11)
C19B—C18A—C15	59.60 (8)	C18B—C29—C7A^ii	62.0 (8)
C29—C18A—C15	30.9 (6)	C15—C29—C17A^iv	79.8 (12)
C7A^ii—C18A—C15	81.6 (3)	C10A^ix—C29—C17A^iv	126.7 (15)
C1—C18A—C15	127.46 (16)	C30—C29—C17A^iv	70.8 (18)
C19C—C18A—C2	105.3 (4)	C10B^ix—C29—C17A^iv	129.3 (14)
C12B^iv—C18A—C2	128.7 (3)	C11B^xix—C29—C17A^iv	62.0 (8)
C19B—C18A—C2	108.4 (2)	C18B—C29—C17A^iv	99.4 (10)
C29—C18A—C2	111.8 (6)	C7A^ii—C29—C17A^iv	132.2 (12)
C7A^ii—C18A—C2	63.0 (2)	C15—C29—C9D^ix	29.5 (12)
C1—C18A—C2	105.46 (18)	C10A^ix—C29—C9D^ix	89.6 (15)
C15—C18A—C2	126.95 (12)	C30—C29—C9D^ix	167 (2)
C12B^iv—C18B—C29	72.3 (8)	C10B^ix—C29—C9D^ix	81.1 (14)
C12B^iv—C18B—C7A^ii	90.2 (5)	C11B^xix—C29—C9D^ix	127.3 (14)
C29—C18B—C7A^ii	59.1 (8)	C18B—C29—C9D^ix	97.8 (13)
C12B^iv—C18B—C15	85.4 (5)	C7A^ii—C29—C9D^ix	126.1 (14)
C29—C18B—C15	33.5 (7)	C17A^iv—C29—C9D^ix	98.4 (13)
C7A^ii—C18B—C15	88.8 (4)	C15—C29—C9E^ix	38.8 (13)
C12B^iv—C18B—C19C	128.5 (5)	C10A^ix—C29—C9E^ix	84.1 (15)
C29—C18B—C19C	97.4 (8)	C30—C29—C9E^ix	174 (2)
C7A^ii—C18B—C19C	128.2 (5)	C10B^ix—C29—C9E^ix	75.5 (14)
C15—C18B—C19C	65.7 (3)	C11B^xix—C29—C9E^ix	138.9 (16)
C12B^iv—C18B—C12A	7.9 (3)	C18B—C29—C9E^ix	89.2 (14)
C29—C18B—C12A	80.0 (8)	C7A^ii—C29—C9E^ix	108.7 (15)
C7A^ii—C18B—C12A	93.0 (5)	C17A^iv—C29—C9E^ix	114.9 (15)
C15—C18B—C12A	92.8 (4)	C9D^ix—C29—C9E^ix	17.4 (11)
C19C—C18B—C12A	130.4 (5)	C16—C30—C11B^xix	113 (3)
C12B^iv—C18B—C7B^ii	94.6 (5)	C16—C30—C29	150 (3)
C29—C18B—C7B^ii	62.9 (7)	C11B^xix—C30—C29	94 (2)
C7A^ii—C18B—C7B^ii	5.0 (2)	C16—C30—C11C^xix	107 (3)
C15—C18B—C7B^ii	91.5 (4)	C11B^xix—C30—C11C^xix	26.5 (19)
C19C—C18B—C7B^ii	126.0 (5)	C29—C30—C11C^xix	103 (3)
C12A—C18B—C7B^ii	97.0 (4)	C16—C30—C11A^xix	108 (3)
C12B^iv—C18B—C1	67.4 (4)	C11B^xix—C30—C11A^xix	5.3 (5)
C29—C18B—C1	138.3 (8)	C29—C30—C11A^xix	99 (2)
C7A^ii—C18B—C1	129.6 (5)	C11C^xix—C30—C11A^xix	25.8 (18)
C15—C18B—C1	130.5 (4)	C16—C30—C12B^iv	84 (2)
C19C—C18B—C1	99.3 (5)	C11B^xix—C30—C12B^iv	129 (2)
C12A—C18B—C1	60.2 (2)	C29—C30—C12B^iv	90 (2)
C7B^ii—C18B—C1	129.6 (4)	C11C^xix—C30—C12B^iv	104 (3)
C12B^iv—C18B—C19B	125.5 (4)	C11A^xix—C30—C12B^iv	129 (2)
C29—C18B—C19B	91.1 (8)	C16—C30—C7A^ii	80 (2)
C7A^ii—C18B—C19B	125.4 (4)	C11B^xix—C30—C7A^ii	132 (2)
C15—C18B—C19B	59.4 (2)	C29—C30—C7A^ii	71.5 (18)
C19C—C18B—C19B	6.3 (2)	C11C^xix—C30—C7A^ii	158 (3)
C12A—C18B—C19B	128.4 (4)	C11A^xix—C30—C7A^ii	133 (2)
C7B^ii—C18B—C19B	123.7 (4)	C12B^iv—C30—C7A^ii	97.3 (17)
C1—C18B—C19B	103.6 (4)	C16—C30—C10A^ix	131 (3)
C19B—C19A—C19C	16.4 (10)	C11B^xix—C30—C10A^ix	72.5 (17)
C19B—C19A—C27D	138.8 (18)	C29—C30—C10A^ix	43.5 (14)
C19C—C19A—C27D	154.9 (14)	C11C^xix—C30—C10A^ix	96 (3)
C19B—C19A—C27D^viii	146.9 (16)	C11A^xix—C30—C10A^ix	76.1 (15)
C19C—C19A—C27D^viii	157.6 (14)	C12B^iv—C30—C10A^ix	133 (2)
C27D—C19A—C27D^viii	29.0 (9)	C7A^ii—C30—C10A^ix	65.4 (12)
C19B—C19A—C27E^ix	117.7 (16)	C16—C30—C17A^iv	130 (3)
C19C—C19A—C27E^ix	132.7 (14)	C11B^xix—C30—C17A^iv	71.6 (16)
C27D—C19A—C27E^ix	23.3 (6)	C29—C30—C17A^iv	69.9 (18)
C27D^viii—C19A—C27E^ix	50.8 (8)	C11C^xix—C30—C17A^iv	54 (2)
C19B—C19A—C8	135.5 (16)	C11A^xix—C30—C17A^iv	74.5 (14)
C19C—C19A—C8	119.6 (12)	C12B^iv—C30—C17A^iv	62.0 (11)
C27D—C19A—C8	83.3 (9)	C7A^ii—C30—C17A^iv	136 (2)
C27D^viii—C19A—C8	75.8 (7)	C10A^ix—C30—C17A^iv	99.0 (16)
C27E^ix—C19A—C8	99.5 (8)	C16—C30—C12A	77.0 (19)
C19B—C19A—C27E	125.0 (15)	C11B^xix—C30—C12A	129 (2)
C19C—C19A—C27E	135.2 (14)	C29—C30—C12A	97 (2)
C27D—C19A—C27E	42.6 (9)	C11C^xix—C30—C12A	103 (3)
C27D^viii—C19A—C27E	22.6 (6)	C11A^xix—C30—C12A	128 (2)
C27E^ix—C19A—C27E	57.6 (10)	C12B^iv—C30—C12A	7.4 (3)
C8—C19A—C27E	94.6 (8)	C7A^ii—C30—C12A	98.8 (16)
C19A—C19B—C27D	29.4 (13)	C10A^ix—C30—C12A	140.0 (19)
C19A—C19B—C31^iv	104.4 (16)	C17A^iv—C30—C12A	65.8 (11)
C27D—C19B—C31^iv	75.1 (10)	C28—C31—C13D	117 (3)
C19A—C19B—C27E^ix	48.2 (13)	C28—C31—C13B	109 (3)
C27D—C19B—C27E^ix	20.3 (5)	C13D—C31—C13B	17.9 (15)
C31^iv—C19B—C27E^ix	58.7 (10)	C28—C31—C15^i	155 (3)
C19A—C19B—C28^iv	103.0 (13)	C13D—C31—C15^i	88 (2)
C27D—C19B—C28^iv	80.2 (7)	C13B—C31—C15^i	96.3 (18)
C31^iv—C19B—C28^iv	32.7 (11)	C28—C31—C13A	109 (2)
C27E^ix—C19B—C28^iv	73.0 (7)	C13D—C31—C13A	27.5 (17)
C19A—C19B—C9B	93.9 (10)	C13B—C31—C13A	10.6 (4)
C27D—C19B—C9B	87.4 (4)	C15^i—C31—C13A	95.5 (17)
C31^iv—C19B—C9B	71.0 (9)	C28—C31—C13C	107 (2)
C27E^ix—C19B—C9B	92.7 (4)	C13D—C31—C13C	10.4 (11)
C28^iv—C19B—C9B	38.4 (6)	C13B—C31—C13C	19.0 (6)
C19A—C19B—C27D^viii	24.9 (12)	C15^i—C31—C13C	97.8 (17)
C27D—C19B—C27D^viii	21.5 (6)	C13A—C31—C13C	29.6 (8)
C31^iv—C19B—C27D^viii	85.2 (10)	C28—C31—Y3A^xx	72.8 (19)
C27E^ix—C19B—C27D^viii	40.3 (6)	C13D—C31—Y3A^xx	125 (3)
C28^iv—C19B—C27D^viii	78.3 (7)	C13B—C31—Y3A^xx	108.2 (19)
C9B—C19B—C27D^viii	72.5 (4)	C15^i—C31—Y3A^xx	97.3 (16)
C19A—C19B—C9E	64.4 (14)	C13A—C31—Y3A^xx	97.9 (16)
C27D—C19B—C9E	69.0 (11)	C13C—C31—Y3A^xx	126.4 (19)
C31^iv—C19B—C9E	92.7 (14)	C10B—C32—C9A	126 (3)
C27E^ix—C19B—C9E	83.4 (11)	C10B—C32—C10A	1.9 (6)
C28^iv—C19B—C9E	64.0 (12)	C9A—C32—C10A	126 (2)
C9B—C19B—C9E	32.8 (10)	C10B—C32—C9B	121 (3)
C27D^viii—C19B—C9E	48.7 (10)	C9A—C32—C9B	5.2 (5)
C19A—C19C—C18A	140.5 (12)	C10A—C32—C9B	121 (2)
C19A—C19C—C22	140.0 (12)	C10B—C32—C9C	101 (2)
C18A—C19C—C22	79.6 (4)	C9A—C32—C9C	24.9 (10)
C19A—C19C—C6	103.3 (10)	C10A—C32—C9C	101.0 (19)
C18A—C19C—C6	78.5 (3)	C9B—C32—C9C	19.8 (8)
C22—C19C—C6	81.4 (3)	C10B—C32—C20B^iv	134 (2)
C19A—C19C—C27D	15.9 (9)	C9A—C32—C20B^iv	78.4 (17)
C18A—C19C—C27D	132.0 (6)	C10A—C32—C20B^iv	132 (2)
C22—C19C—C27D	144.0 (6)	C9B—C32—C20B^iv	82.6 (15)
C6—C19C—C27D	117.3 (6)	C9C—C32—C20B^iv	95.7 (16)
C19A—C19C—C31^iv	81.4 (13)

Symmetry codes: (i) y, z, x; (ii) −y+3/2, z+1/2, x; (iii) z, −x+3/2, y−1/2; (iv) z, x, y; (v) −y+1, −z+1, −x+1; (vi) −z+1, −x+1, −y+1; (vii) x−1/2, y, −z+1/2; (viii) y−1/2, −z+3/2, −x+1; (ix) −z+1, x+1/2, −y+3/2; (x) x−1/2, −y+3/2, −z+1; (xi) x, −y+3/2, z−1/2; (xii) −x+1, y+1/2, −z+1/2; (xiii) z+1/2, −x+3/2, −y+1; (xiv) −y+3/2, −z+1, x−1/2; (xv) z−1/2, x, −y+3/2; (xvi) −y+1, z+1/2, −x+3/2; (xvii) y−1/2, z, −x+3/2; (xviii) −z+1/2, −x+1, y+1/2; (xix) x, −y+3/2, z+1/2; (xx) −x+3/2, −y+1, z+1/2; (xxi) z+1/2, x, −y+3/2; (xxii) x+1/2, −y+3/2, −z+1; (xxiii) −x+1/2, −y+1, z−1/2; (xxiv) −x+3/2, −y+1, z−1/2; (xxv) y, −z+3/2, x+1/2; (xxvi) −x+1, y−1/2, −z+1/2; (xxvii) y−1/2, z, −x+1/2; (xxviii) −y+1, z−1/2, −x+1/2; (xxix) −x+1, −y+1, −z+1; (xxx) z+1/2, x, −y+1/2; (xxxi) y+1/2, z, −x+1/2; (xxxii) x+1/2, y, −z+1/2; (xxxiii) −z+3/2, −x+1, y−1/2.

 

Footnotes

‡Current affiliation: Faculty of Advanced Engineering, Department of Material Science and Technology, Tokyo University of Science, Tokyo 125-8585, Japan.