The bimolecular structure of aqua­hexa-μ-chlorido-μ₄-oxido-tris(tetra­hydro­furan-κO)tetra­copper(II)–hexa-μ-chlorido-μ₄-oxido-tetra­kis(tetra­hydro­furan-κO)tetra­copper(II)–tetra­hydro­furan (2/1/4)

The title bimolecular structure, [Cu₄Cl₆O(C₄H₈O)₃(H₂O)]₂[Cu₄Cl₆O(C₄H₈O)₄]·4C₄H₈O, at 100 K has monoclinic (P2₁/c) symmetry. The structure contains nine symmetry-independent mol­ecules expressed in simplest mol­ecular form as 6[Cu₄Cl₆O(C₄H₈O)₃(H₂O)·2(C₄H₈O)]:3Cu₄Cl₆O(C₄H₈O)₄. The com­pound exhibits a supercell (smaller than the unit cell based on weak reflections) structure due to pseudotranslational symmetry. The structure displays O—H...O hydrogen bonding between bound water ligands and tetra­hydro­furan (THF) solvent mol­ecules. The structure exhibits disorder for 12 of the THF mol­ecules, of which seven are ligated to Cu and five are hydrogen bonded to H₂O ligands.

S1. Introduction

In the course of our continuing studies of carboxyl­ate-exchange reactions in copper(II) carboxyl­ates (typically blue or green in solution), an inter­esting orange inter­mediate was observed and fortuitously crystallized, viz. the title compound, [Cu₄Cl₆O(THF)₄][Cu₄Cl₆O(THF)₃(H₂O)]₂.4THF (THF is tetra­hydro­furan), (I).(II)₂.2THF. Subsequent X-ray diffraction studies revealed a complex bimolecular structure of two related molecules bearing no carboxyl­ate ligands and based on the oxide-centered tetra­hedron of four Cu^II cations with six edge-bridging chloride anions and an additional apical ligand bound to each Cu center, Cu₄OCl₆X₃Y (see scheme). A search of the Cambridge Structural Database (CSD, Version 5.34 with updates to May 2013; Allen, 2002) produced reports of 66 structures based on the Cu₄OCl₆ tetra­hedral core. The additional fifth ligand coordinated to each Cu center is often a Lewis basic solvent molecule and typically produces a distorted trigonal bipyramidal coordination environment. Most frequently, the additional donor atom is either O (Bertrand, 1967) or N (Kilbourn & Dunitz, 1967), although halide anions (Jackson et al., 1996; Holt et al. 1979) have also been reported occupying this apical site. The bimolecular nature of this inter­esting material produces a complex structure with nine symmetry-independent molecules for a total of 36 molecules in the unit cell, a large number (48) of hydrogen-bonded THF solvent molecules, a correspondingly large-unit cell volume and significant disorder for 12 THF molecules. Additionally, a supercell (smaller cell) of the unit cell based on pseudotranslational symmetry is observed.

S2. Experimental

S2.1. Synthesis and crystallization

Copper(II) chloride dihydrate (1.023 g, 6.001 mmol) was dissolved in THF (125 ml), forming a light-green solution. A deep-blue solution of tetra­(µ-acetato-κ⁸O:O')-dicopper(II) dihydrate (0.108 g, 1.00 mmol) in THF (60 ml) was added dropwise to the copper(II) chloride solution. The resulting amber solution was stirred for 24 h; the solvent was then removed by rotary evaporation, producing a powdery orange–brown residue. The residue dissolved readily in minimal THF, again forming an amber solution. Slow diffusion of pentane into the amber solution generated yellow–orange crystals overnight. Crystallization continued for 10 d, at which time the mother liquor was no longer colored. The yellow–orange crystals appear stable in the mother liquor for a considerable time (about a month) but turn green over the course of a few days if removed from the crystallization apparatus. Tetra­(µ-acetato-κ⁸O:O')-dicopper(II) dihydrate was synthesized according to literature methods (Szafram et al., 1991). All other materials were obtained from commercial sources and used without further purification.

S2.2. Refinement

The non-H atoms of the nine symmetry-independent metal complexes were located in sequential difference-density maps. Three of these clusters contain four complexed THF molecules, while the other six consist of three complexed THF and one complexed water solvent molecule. Of the coordinated THF molecules, seven are disordered, with site-occupancy factors in the range 0.60–0.90. Each coordinated water molecule is hydrogen-bonded to two THF molecules for a total of 12 hydrogen-bonded THF molecules in the asymmetric unit. Of these THF molecules, five were modeled with two-part disorder, with site-occupancy factors in the range 0.60–0.80. The ratios of major and minor disordered THF components were first modeled by refinement of the individual occupancy factors. Near convergence, the ratio for each THF was then fixed using the refined ratio values. Site-occupation factors for the major occupied THF components are: O3A 0.75 (4), O7B 0.60 (1), O6C 0.75 (1), O7C 0.75 (3), O1D 0.60 (2), O3D 0.70 (1), O7E 0.75 (6), O3F 0.90 (2), O6F 0.80 (2), O2G 0.70 (3), O2H 0.75 (2) and O3I 0.70 (3). THF molecules designated by atoms O7B, O6C, O7C, O1D, O3D, O3F, O6F, O2H and O3I were modeled with one-atom disorder, while O3A and O2G required two-atom disorder and O7E utilized whole-molecule disorder. The same anisotropic displacement constraint (EADP in SHELXL-2013; Sheldrick, 2008) and similar-distance restraint (SADI) were applied to all disordered THF fragments and molecules. Additionally, the similar molecular conformation constraint (SAME) and rigid-bond restraint (RIGU) were applied to THF molecules O7E and O90E to give idealized geometries and anisotropic displacement parameters. Each of the major and minor THF components, including the Cu, Cl and O atoms of the clusters, were refined with anisotropic displacement parameters. The minor components of the disordered THF molecules were given labels prefixed with 90 for clarity.

H atoms associated with each major and minor THF component were placed in calculated positions and refined using a riding model, with C—H = 0.99 Å, and U_iso(H) = 1.2U_eq(C). The H atoms of the bound water molecules were located by difference Fourier synthesis and refined with U_iso(H) = 1.2U_eq(O). All O—H bond lengths were restrained to 0.85 (2) Å. The position of atom H25E was restrained by setting the C1E···H25E distance to 2.35 (2) Å.

S3. Results and discussion

The challenges encountered during the solution of the structure and in describing the structure for the title compound, (1) (see scheme), lead us to start by discussing important features of the diffraction data shown in Fig. 1. The first salient observation is the very strong reflections found for c* = 9, associated with the presence of nine symmetry-independent molecules in the unit cell. Then one readily discerns the pattern of lower-intensity reflections found for c* = 3, 6 and 12; these lower-intensity reflections are associated with existence of a supercell (smaller than the unit cell) (Hołyńska et al., 2006) and consistent with our assignment of Z' = 3. The large number of symmetry-independent species for this system with monoclinic (P2₁/c) symmetry leads to a very large number (36) of molecules in each unit cell. The number of THF solvent molecules incorporated in the unit cell is also large (48) and is associated with considerable disorder (see below).

The title compound is comprised of two related molecular species, manifest in the structure as nine symmetry-independent molecules in a 6:3 ratio, as shown at the bottom of Fig. 2. For simplicity, we label the nine symmetry-independent molecules as clusters A–I, where clusters A, D and G have the same molecular formula [complex (I)], as do clusters B, C, E, F, H and I [complex (II)]. The simpler, less abundant species, hexa-µ-chlorido-µ₄-oxido-tetra­kis(tetra­hydro­furan-κO)tetra­copper(II), corresponds to (I) in the scheme, where the apical ligands X and Y are both THF molecules bonded to Cu through O-donor atoms. Although three symmetry-independent clusters of (I) exist, their geometry is very similar. Accordingly, cluster A is given in Fig. 2 as a representative example of complex (I). Similarly, clusters B and C provide examples of the six symmetry-independent molecules of (II), viz. aqua­hexa-µ-chlorido-µ₄-oxido-tris­(tetra­hydro­furan-κO)tetra­copper(II) tetra­hydro­furan disolvate. Labelled ellipsoid displacement diagrams for all nine symmetry-independent copper clusters, along with tables of selected bond lengths and angles for all symmetry-independent species, are included in the supporting information.

The bond angles about the central µ₄-oxido atom for all clusters (A, D, and G) of (I) are in the range 108.09 (14)–110.53 (15)°, while those for the clusters of (II) have a similar distribution in the range 108.46 (14)–111.17 (15)°, indicating a slightly distorted tetra­hedral geometry at the central oxide O atom for all nine clusters. Because the Cu^II cations are penta­coordinated, it is necessary to consider whether the geometry is best described as trigonal bipyramidal (tbp) or square pyramidal (sp). Addison et al. (1984) calculated a parameter, τ, where the difference between the largest angle about a five-coordinate central atom and the next largest is divided by 60°; the resulting ratio approaches 1.0 for tbp geometries and 0.0 for sp species. This approach has been applied to related Cu₄OCl₆X₄ compounds ([X= what?]; Cortés et al., 2006). A table of τ values calculated for clusters A–I is included in the supporting information. The coordination environment about all the Cu^II cations in (I) and (II) is found to be slightly distorted tbp, as reflected in τ values in the range 0.81–0.98 for clusters A, D and G in (I), and in the range 0.85–0.96 for clusters B, C, E, F, H and I in (II).

Chemically, (I) seems a natural result of apical exchange of THF solvent molecules prior to crystallization of the Cu₄OCl₆ core from THF; it is not surprising that (I) has been reported previously (Becker et al., 2001). However, there are no literature reports of (II) and only one other report of a Cu₄OCl₆ cluster where water is bonded to Cu as an apical ligand [Reference?]. Compound (III), Cu₄OCl₆(nmp)₃(OH₂.nmp) (nmp is N-methyl-2-pyrolidinone; Davies et al., 1978; Churchill & Rotella, 1979) was isolated and identified as the catalytically active species in oxidative coupling of phenol by di­oxy­gen. Curiously, (III) exhibits the same unusual structure containing a single water molecule, Cu₄OCl₆X₃Y (Y = H₂O.2THF), as (II) but is hydrogen-bonded to only a single nmp molecule, presumably because one nmp molecule is displaced stoichiometrically by the single ligated water molecule. Compound (II) crystallizes from a THF solution with limited water present. The water bonded to Cu in (II) is able to form hydrogen bonds to two THF molecules, as shown in Fig. 2. All six molecules of (II) are hydrogen-bonded to two THF molecules, thus including a total of 12 THF solvent molecules in the symmetry-independent unit; details of the hydrogen-bonding geometries are listed in Table 2. These 12 hydrogen-bonding inter­actions between ligated water and THF solvent are the sole instances of strong hydrogen bonding present in this large system. It appears that the ready availability of THF from the mother liquor precludes other possible hydrogen-bonding inter­actions, such as between ligated water molecules or water and bridging chloride anions. Consequently, both molecular structures for (I) and (II) have areas dominated by the nonpolar parts of the THF molecules, leading to a crystal packing dominated by van der Waals inter­actions between the molecules. In addition, the asymmetric unit for the title compound depicted at the bottom of Fig. 2 shows clearly the 2:1 ratio of (II) to (I), and that different positions are occupied by each of the two independent types of molecule. Examination of the ligated water molecules on clusters B, E and H shows that these Cu—O bonds are directed along the row of clusters [approximately (1,0,0)], while those for clusters C, F and I are directed towards the (1,1,1) direction. These positions are not exchanged by symmetry and are thus unique positions for the clusters of (II) within the asymmetric unit; this parallels the ratio of (II) to (I) found for the title compound and our assignment of Z' = 3.

A partial packing diagram (Fig. 3) shows a single layer of the unit cell (parallel to the ac plane) containing all nine symmetry-independent molecules, and detailing how hydrogen-bonding and van der Waals inter­actions are elaborated in two dimensions to generate multiple layers. The top and bottom edges of the unit cell are comprised of hydrogen-bonded THF solvent molecules not directly bonded to (II), and thus the layers of hydrogen-bonded THF molecules are parallel to (100). Similarly, two layers comprised of cluster (II) molecules can be discerned sandwiching an inner layer of cluster (I) molecules. Inter­actions between these layers are dominated by van der Waals inter­actions between the THF molecules, both the coordinated THF molecules found at the inter­ior of the cell and the hydrogen-bonded THF molecules at the edges. In addition, it should be noted that the single plane of nine clusters depicted in Fig. 3 shows only part of the unit cell; three additional planes of nine clusters are included in the full unit cell and depicted in a full packing diagram available in the supporting information.

The single plane of nine clusters (Fig. 3) can be used to develop a molecular-level explanation for the supercell based on pseudotranslational symmetry, indicated by the low-intensity reflections at c* = 3, 6, 12 in Fig. 1. This explanation follows from considering the arrangements of clusters arrayed across multiple unit cells as depicted in Fig. 4. Individual cells were constructed by placing symbols over the positions of the central µ₂-oxido O atom from all nine symmetry-independent clusters A–I from Fig. 3. Three distinct modes of pseudotranslation are observed as one-third increments of regular translations. The easiest to identify is found by tracing the diagonal translation starting with highlighted cluster A at the upper right-hand corner, where each of the other eight clusters follows in alphabetical order. An ordinary translation operation results when the sequence restarts near the bottom at A; the supercell corresponds to increments of three clusters containing a 2:1 mix of compounds (I) and (II). These supercell triads might be grouped as (A, B, C), (D, E, F) and (G, H, I). Note that the existence of these triads rests upon the substantial geometric equivalence between three sets of clusters, (A, D, G), (B, E, H) and (C, F, I), as seen at the bottom of Fig. 2. However, Fig. 4 shows clearly that these pseudotranslational triads occupy different relative positions within the unit cell. Similarly, the second set of three pseudotranslations is plotted starting at the upper left-hand corner, down the diagonal from highlighted cluster I through the other eight clusters (G, E, C, A, H, F, D, B) in sequence; the supercell triads are grouped as before from three consecutive clusters. A third set of supercell triads related by pseudotranslation is observed within a single unit cell (bottom right-hand corner of Fig. 4). The arrows show that triad (C, A, B) need only be shifted along the a axis by a third of the unit cell in order to assume the relative position of the next triad (F, D, E) and by a further third to the position of (I, G, H).

We have postulated that differences in the conformation and orientation of pendant and hydrogen-bonded THF molecules found between the related clusters (A, D, G), (B, E, H) and (C, F, I) provide a molecular basis for understanding the observed supercell. This can be confirmed qualitatively by closely examining the differences in the orientations of the THF molecules in the asymmetric unit (Fig. 2). A more satisfying assessment is found by employing the Automatic Molecule Overlay feature of Mercury (Macrae et al., 2008). Table 3 contains root mean-square (r.m.s.) deviations and maximum deviations derived first for related clusters with bound THF molecules, (A, D, G), (B, E, H) and (C, F, I), and then for the same groups of Cu₄Cl₆O₅ cluster cores stripped of THF C atoms. While there is considerable variance between particular overlay r.m.s. deviations, some general observations hold. The deviations, both r.m.s. and maximum, are greater in every case for clusters with the full complement of THF ligands than for the corresponding cluster cores, consistent with the strong reflections for c* = 9 (Fig. 1) and the presence of nine symmetry-independent molecules. The very small r.m.s. deviations calculated for some cluster cores support the near equivalence of cluster cores (A, D, G), (B, E, H) and (C, F, I), and correspond well with the pattern of weaker reflections observed for c* = 3,6,12 (Fig. 1). These observations support our assignment of smaller supercells constructed from triads containing one cluster of each type found in adjacent positions (Fig. 4) in the larger structure.

Finally, it is necessary to address the significant disorder present for a number of THF molecules in this structure. As noted in the experimental section, seven THF molecules coordinated to Cu and another five hydrogen-bonded THF molecules are strongly disordered. This is not surprising given the extreme conformational flexibility of THF, but it is also not as significant as it might seem because the asymmetric unit of the title compound contains a very large number of THF molecules. There are 30 independent THF molecules cooordinated to Cu, so only 23% of the coordinated THF molecules are disordered. In a similar vein, only five out of 12 hydrogen-bonded THF molecules are disordered (42%), indicating that the complex story we have developed above is predominantly focused on the significant amount of organization found for the THF molecules in this structure. The highly organized structure is actually quite surprising, given the degradation of the orange crystals of the title compound over time to generate a green material, likely resulting from the loss of volatile THF solvent, and is well supported by the relatively high quality of this solution to the data.

Related literature

For related literature, see: Addison et al. (1984); Allen (2002); Becker et al. (2001); Bertrand (1967); Churchill & Rotella (1979); Cortés et al. (2006); Davies et al. (1978); Hołyńska et al. (2006); Holt et al. (1979); Jackson et al. (1996); Kilbourn & Dunitz (1967); Macrae et al. (2008); Sheldrick (2008); Szafram et al. (1991).

Computing details

Data collection: APEX2 (Bruker, 2010); cell refinement: APEX2 (Bruker, 2010); data reduction: SAINT (Bruker, 2010) and XPREP (Bruker, 2010); program(s) used to solve structure: SHELXL2013 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2013 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2010).

Figures

	Fig. 1. A depiction of reciprocal space, showing the 0kl plane and evidence for pseudotranslational symmetry.
	Fig. 2. (Top) The crystal structure of the title compound, showing molecules A–C and a partial atom-labelling scheme. Displacement ellipsoids are drawn at the 50% probability level. (Bottom) The orientation and pseudotranslation of the nine symmetry-independent molecules. Dotted lines indicate hydrogen bonds. H atoms have been omitted for clarity.
	Fig. 3. A crystal packing diagram for the title compound, projected down the b axis. Dotted lines indicate hydrogen bonds.
	Fig. 4. The layer comprised of multiple unit cells, projected down the b axis, depicting the modes of pseudotranslation of the supercell molecular triads.

Aquahexa-µ-chlorido-µ₄-oxido-tris(tetrahydrofuran-κO)tetracopper(II)–hexa-µ-chlorido-µ₄-oxido-tetrakis(tetrahydrofuran-κO)tetracopper(II)–tetrahydrofuran (2/1/4)

Crystal data

[Cu4Cl6O(C4H8O)4][Cu4Cl6O(C4H8O)3(H2O)]2·4C4H8O	F(000) = 15096
Mr = 2494.19	Dx = 1.815 Mg m^−3
Monoclinic, P21/c	Cu Kα radiation, λ = 1.54178 Å
a = 27.9242 (4) Å	Cell parameters from 8028 reflections
b = 31.1922 (5) Å	θ = 2.7–69.2°
c = 32.2596 (5) Å	µ = 8.28 mm^−1
β = 102.987 (1)°	T = 100 K
V = 27379.9 (7) Å^3	Transparent prism, yellow
Z = 12	0.46 × 0.17 × 0.10 mm

Data collection

Bruker APEXII CCD area-detector diffractometer	49696 independent reflections
Radiation source: fine-focus sealed tube	33378 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.119
Detector resolution: 8.3 pixels mm^-1	θmax = 68.0°, θmin = 2.0°
φ and ω scans	h = −33→33
Absorption correction: multi-scan (SADABS; Bruker, 2010)	k = −36→37
Tmin = 0.115, Tmax = 0.480	l = −38→38
386670 measured reflections

Refinement

Refinement on F^2	157 restraints
Least-squares matrix: full	Hydrogen site location: mixed
R[F^2 > 2σ(F^2)] = 0.041	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.089	w = 1/[σ^2(Fo^2) + (0.025P)^2 + 42.3423P] where P = (Fo^2 + 2Fc^2)/3
S = 1.01	(Δ/σ)max = 0.003
49695 reflections	Δρmax = 1.12 e Å^−3
2920 parameters	Δρmin = −0.53 e Å^−3

Special details

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

Refinement. Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement.

Item _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences.

Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Reflection 0 2 0 was obscured by the beam stop and omitted from the refjection list.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Cu1A	−0.47713 (2)	0.16567 (2)	0.40557 (2)	0.01933 (15)
Cu2A	−0.51732 (2)	0.08231 (2)	0.35825 (2)	0.01844 (15)
Cu3A	−0.41346 (2)	0.11610 (2)	0.35551 (2)	0.02136 (15)
Cu4A	−0.43321 (2)	0.07827 (2)	0.43810 (2)	0.01863 (15)
Cl1A	−0.56000 (4)	0.14219 (4)	0.37759 (4)	0.0260 (3)
Cl2A	−0.42034 (4)	0.19105 (4)	0.36649 (4)	0.0249 (3)
Cl3A	−0.44656 (5)	0.14242 (4)	0.47777 (4)	0.0265 (3)
Cl4A	−0.47263 (4)	0.07838 (4)	0.30283 (4)	0.0249 (3)
Cl5A	−0.35901 (4)	0.08068 (4)	0.41311 (4)	0.0231 (2)
Cl6A	−0.49808 (4)	0.02825 (4)	0.41344 (4)	0.0223 (2)
O1A	−0.49686 (12)	0.22358 (10)	0.41785 (10)	0.0228 (7)
O2A	−0.57564 (11)	0.05269 (10)	0.32668 (10)	0.0200 (7)
O3A	−0.36725 (13)	0.12296 (12)	0.31875 (12)	0.0380 (10)
O4A	−0.40840 (11)	0.04397 (10)	0.48893 (10)	0.0206 (7)
O5A	−0.46042 (10)	0.11043 (9)	0.38916 (10)	0.0174 (7)
C1A	−0.5383 (2)	0.23137 (18)	0.4370 (2)	0.0401 (15)
H1A	−0.5350	0.2146	0.4635	0.048*
H1B	−0.5695	0.2233	0.4172	0.048*
C2A	−0.5375 (2)	0.27852 (18)	0.4463 (2)	0.0505 (17)
H2A	−0.5687	0.2920	0.4314	0.061*
H2B	−0.5331	0.2835	0.4772	0.061*
C3A	−0.4954 (2)	0.29700 (17)	0.4309 (2)	0.0401 (15)
H3A	−0.4786	0.3196	0.4504	0.048*
H3B	−0.5066	0.3093	0.4020	0.048*
C4A	−0.46206 (19)	0.25873 (16)	0.43045 (19)	0.0357 (14)
H4A	−0.4413	0.2628	0.4096	0.043*
H4B	−0.4407	0.2536	0.4590	0.043*
C5A	−0.57031 (17)	0.01094 (15)	0.30740 (16)	0.0241 (11)
H5A	−0.5494	−0.0085	0.3281	0.029*
H5B	−0.5558	0.0141	0.2822	0.029*
C6A	−0.62259 (17)	−0.00548 (15)	0.29479 (16)	0.0235 (11)
H6A	−0.6235	−0.0371	0.2918	0.028*
H6B	−0.6406	0.0077	0.2679	0.028*
C7A	−0.64343 (19)	0.00881 (16)	0.33218 (16)	0.0276 (12)
H7A	−0.6336	−0.0111	0.3565	0.033*
H7B	−0.6798	0.0104	0.3241	0.033*
C8A	−0.62095 (17)	0.05300 (16)	0.34297 (17)	0.0251 (11)
H8A	−0.6437	0.0757	0.3290	0.030*
H8B	−0.6133	0.0579	0.3741	0.030*
C9A	−0.3783 (2)	0.15222 (18)	0.28251 (18)	0.0369 (13)
H9A	−0.3817	0.1820	0.2921	0.044*
H9B	−0.4092	0.1438	0.2624	0.044*
C10A	−0.3346 (2)	0.14833 (19)	0.26160 (19)	0.0418 (14)
H10A	−0.3462	0.1442	0.2305	0.050*
H10B	−0.3143	0.1746	0.2666	0.050*
C11A	−0.3049 (4)	0.1098 (4)	0.2815 (3)	0.061 (3)	0.75
H11A	−0.3136	0.0837	0.2640	0.073*	0.75
H11B	−0.2692	0.1151	0.2861	0.073*	0.75
C12A	−0.3210 (4)	0.1066 (4)	0.3232 (3)	0.061 (3)	0.75
H12A	−0.3206	0.0762	0.3321	0.073*	0.75
H12B	−0.2978	0.1227	0.3455	0.073*	0.75
C13A	−0.44246 (17)	0.03960 (16)	0.51722 (15)	0.0238 (11)
H13A	−0.4516	0.0092	0.5196	0.029*
H13B	−0.4727	0.0565	0.5064	0.029*
C14A	−0.41506 (17)	0.05647 (17)	0.55947 (16)	0.0278 (12)
H14A	−0.4266	0.0428	0.5832	0.033*
H14B	−0.4186	0.0880	0.5612	0.033*
C15A	−0.36186 (18)	0.04379 (17)	0.56003 (16)	0.0281 (12)
H15A	−0.3382	0.0616	0.5803	0.034*
H15B	−0.3558	0.0132	0.5675	0.034*
C16A	−0.35889 (17)	0.05257 (17)	0.51426 (16)	0.0264 (12)
H16A	−0.3494	0.0827	0.5108	0.032*
H16B	−0.3346	0.0334	0.5056	0.032*
C90A	−0.3022 (11)	0.1174 (11)	0.2921 (11)	0.061 (3)	0.25
H90A	−0.2792	0.1336	0.3145	0.073*	0.25
H90B	−0.2827	0.0996	0.2765	0.073*	0.25
C91A	−0.3350 (11)	0.0887 (11)	0.3124 (11)	0.061 (3)	0.25
H91A	−0.3520	0.0663	0.2927	0.073*	0.25
H91B	−0.3172	0.0756	0.3394	0.073*	0.25
Cu1B	−0.08108 (2)	0.10705 (2)	0.23211 (2)	0.01813 (15)
Cu2B	−0.18697 (2)	0.14191 (2)	0.21253 (2)	0.01723 (14)
Cu3B	−0.16433 (2)	0.05369 (2)	0.25556 (2)	0.01724 (14)
Cu4B	−0.12835 (2)	0.13624 (2)	0.30553 (2)	0.01708 (14)
Cl1B	−0.12125 (4)	0.15452 (4)	0.17650 (4)	0.0199 (2)
Cl2B	−0.09419 (4)	0.03116 (3)	0.23119 (4)	0.0213 (2)
Cl3B	−0.04659 (4)	0.14406 (4)	0.29877 (4)	0.0249 (3)
Cl4B	−0.23392 (4)	0.07739 (4)	0.20083 (4)	0.0222 (2)
Cl5B	−0.16456 (4)	0.07224 (3)	0.32742 (4)	0.0219 (2)
Cl6B	−0.19376 (4)	0.18452 (4)	0.27304 (4)	0.0228 (2)
O1B	−0.02124 (12)	0.10352 (11)	0.21243 (10)	0.0214 (7)
H25B	−0.0004 (15)	0.0893 (14)	0.2301 (13)	0.026*
H26B	−0.0231 (19)	0.0930 (15)	0.1880 (9)	0.026*
O2B	−0.23331 (11)	0.17592 (10)	0.17065 (10)	0.0213 (7)
O3B	−0.18939 (12)	−0.00384 (9)	0.26151 (11)	0.0220 (7)
O4B	−0.11783 (11)	0.16269 (10)	0.36164 (10)	0.0196 (7)
O5B	−0.14000 (10)	0.10968 (9)	0.25149 (9)	0.0158 (7)
O6B	0.04493 (13)	0.05988 (14)	0.26682 (12)	0.0424 (11)
O7B	−0.02646 (12)	0.07119 (12)	0.13542 (11)	0.0300 (8)
C1B	0.03400 (19)	0.04484 (18)	0.30589 (16)	0.0321 (13)
H1C	0.0030	0.0282	0.3000	0.039*
H1D	0.0305	0.0693	0.3245	0.039*
C2B	0.07640 (19)	0.01694 (19)	0.32686 (18)	0.0356 (13)
H2C	0.0839	0.0205	0.3582	0.043*
H2D	0.0694	−0.0136	0.3198	0.043*
C3B	0.11793 (19)	0.03297 (19)	0.30849 (19)	0.0390 (14)
H3C	0.1418	0.0098	0.3074	0.047*
H3D	0.1353	0.0570	0.3255	0.047*
C4B	0.09323 (19)	0.0476 (2)	0.26446 (19)	0.0408 (15)
H4C	0.1111	0.0722	0.2557	0.049*
H4D	0.0922	0.0241	0.2437	0.049*
C5B	−0.24330 (18)	0.16355 (17)	0.12597 (15)	0.0259 (11)
H5C	−0.2587	0.1348	0.1217	0.031*
H5D	−0.2127	0.1633	0.1153	0.031*
C6B	−0.27835 (19)	0.19790 (18)	0.10398 (17)	0.0337 (13)
H6C	−0.3019	0.1860	0.0790	0.040*
H6D	−0.2602	0.2219	0.0946	0.040*
C7B	−0.3051 (2)	0.21272 (19)	0.13852 (19)	0.0427 (15)
H7C	−0.3013	0.2440	0.1432	0.051*
H7D	−0.3405	0.2058	0.1302	0.051*
C8B	−0.28073 (19)	0.1884 (2)	0.17803 (18)	0.0385 (14)
H8C	−0.2767	0.2069	0.2035	0.046*
H8D	−0.3003	0.1629	0.1820	0.046*
C9B	−0.17454 (18)	−0.04262 (14)	0.24263 (16)	0.0240 (11)
H9C	−0.1393	−0.0489	0.2542	0.029*
H9D	−0.1804	−0.0399	0.2113	0.029*
C10B	−0.20663 (18)	−0.07698 (15)	0.25498 (16)	0.0239 (11)
H10C	−0.1928	−0.0876	0.2841	0.029*
H10D	−0.2108	−0.1014	0.2349	0.029*
C11B	−0.25483 (18)	−0.05375 (15)	0.25248 (16)	0.0250 (11)
H11C	−0.2752	−0.0685	0.2696	0.030*
H11D	−0.2738	−0.0513	0.2227	0.030*
C12B	−0.23791 (18)	−0.01019 (15)	0.27102 (17)	0.0274 (12)
H12C	−0.2610	0.0125	0.2576	0.033*
H12D	−0.2355	−0.0098	0.3021	0.033*
C13B	−0.15933 (17)	0.16553 (15)	0.38291 (15)	0.0218 (11)
H13C	−0.1549	0.1451	0.4070	0.026*
H13D	−0.1907	0.1590	0.3627	0.026*
C14B	−0.15902 (18)	0.21107 (15)	0.39854 (17)	0.0266 (12)
H14C	−0.1724	0.2130	0.4244	0.032*
H14D	−0.1782	0.2302	0.3764	0.032*
C15B	−0.10456 (19)	0.22217 (16)	0.40821 (16)	0.0297 (12)
H15C	−0.0993	0.2536	0.4095	0.036*
H15D	−0.0868	0.2091	0.4353	0.036*
C16B	−0.08898 (19)	0.20265 (16)	0.37047 (16)	0.0270 (12)
H16C	−0.0966	0.2222	0.3457	0.032*
H16D	−0.0533	0.1964	0.3774	0.032*
C17B	0.02187 (19)	0.05688 (18)	0.13170 (17)	0.0313 (12)
H17C	0.0224	0.0253	0.1287	0.038*
H17D	0.0470	0.0652	0.1573	0.038*
C18B	0.03201 (19)	0.07827 (19)	0.09259 (17)	0.0374 (14)
H18C	0.0668	0.0873	0.0972	0.045*
H18D	0.0241	0.0590	0.0676	0.045*
C19B	−0.0017 (3)	0.1163 (3)	0.0868 (3)	0.0266 (18)	0.6
H19C	0.0141	0.1410	0.1039	0.032*	0.6
H19D	−0.0110	0.1250	0.0565	0.032*	0.6
C20B	−0.04494 (19)	0.10140 (19)	0.10177 (17)	0.0371 (14)
H20C	−0.0614	0.1257	0.1126	0.045*
H20D	−0.0688	0.0874	0.0784	0.045*
C90B	−0.0144 (4)	0.0992 (5)	0.0710 (4)	0.0266 (18)	0.4
H90C	−0.0079	0.1283	0.0615	0.032*	0.4
H90D	−0.0310	0.0823	0.0459	0.032*	0.4
Cu1C	0.20229 (2)	0.14986 (2)	0.17677 (2)	0.01706 (14)
Cu2C	0.22049 (2)	0.06238 (2)	0.22375 (2)	0.01604 (14)
Cu3C	0.30576 (2)	0.11129 (2)	0.19973 (2)	0.01873 (15)
Cu4C	0.25890 (2)	0.14695 (2)	0.27050 (2)	0.01588 (14)
Cl1C	0.15048 (4)	0.08657 (4)	0.17345 (4)	0.0235 (3)
Cl2C	0.26632 (4)	0.15075 (4)	0.13806 (4)	0.0210 (2)
Cl3C	0.20444 (4)	0.19918 (3)	0.23428 (4)	0.0226 (2)
Cl4C	0.28732 (4)	0.03575 (3)	0.19547 (4)	0.0214 (2)
Cl5C	0.34292 (4)	0.14668 (4)	0.26365 (4)	0.0242 (3)
Cl6C	0.23756 (4)	0.07997 (3)	0.29838 (3)	0.0195 (2)
O1C	0.15707 (12)	0.18431 (11)	0.13689 (11)	0.0225 (7)
H25C	0.1512 (19)	0.1738 (15)	0.1128 (9)	0.027*
H26C	0.1284 (9)	0.1855 (16)	0.1400 (16)	0.027*
O2C	0.19587 (11)	0.00514 (9)	0.23225 (10)	0.0198 (7)
O3C	0.36789 (12)	0.10155 (11)	0.18283 (11)	0.0286 (8)
O4C	0.27235 (11)	0.17823 (9)	0.32457 (10)	0.0193 (7)
O5C	0.24639 (10)	0.11744 (9)	0.21750 (9)	0.0143 (6)
O6C	0.13868 (12)	0.16167 (11)	0.05668 (10)	0.0250 (8)
O7C	0.07032 (13)	0.18671 (12)	0.15788 (12)	0.0377 (9)
C1C	0.17487 (18)	0.17493 (16)	0.03388 (16)	0.0262 (11)
H1E	0.1976	0.1511	0.0318	0.031*
H1F	0.1942	0.1994	0.0484	0.031*
C2C	0.1463 (2)	0.1879 (2)	−0.00981 (19)	0.0465 (16)
H2E	0.1639	0.2101	−0.0225	0.056*
H2F	0.1395	0.1630	−0.0292	0.056*
C3C	0.1001 (3)	0.2053 (3)	−0.0001 (3)	0.042 (3)	0.75
H3E	0.0728	0.2048	−0.0256	0.051*	0.75
H3F	0.1049	0.2350	0.0108	0.051*	0.75
C4C	0.09047 (19)	0.17514 (19)	0.03362 (17)	0.0355 (13)
H4E	0.0727	0.1900	0.0528	0.043*
H4F	0.0708	0.1502	0.0205	0.043*
C5C	0.16664 (17)	−0.01918 (14)	0.19645 (15)	0.0209 (10)
H5E	0.1823	−0.0189	0.1718	0.025*
H5F	0.1330	−0.0073	0.1875	0.025*
C6C	0.16572 (18)	−0.06404 (15)	0.21427 (16)	0.0250 (11)
H6E	0.1583	−0.0857	0.1913	0.030*
H6F	0.1414	−0.0665	0.2323	0.030*
C7C	0.21813 (18)	−0.06872 (15)	0.24056 (16)	0.0248 (11)
H7E	0.2202	−0.0911	0.2627	0.030*
H7F	0.2411	−0.0760	0.2223	0.030*
C8C	0.22926 (17)	−0.02467 (14)	0.26043 (15)	0.0223 (11)
H8E	0.2231	−0.0241	0.2895	0.027*
H8F	0.2640	−0.0168	0.2621	0.027*
C9C	0.30307 (17)	0.15954 (15)	0.36257 (14)	0.0205 (10)
H9E	0.3321	0.1453	0.3560	0.025*
H9F	0.2844	0.1383	0.3755	0.025*
C10C	0.31825 (18)	0.19707 (15)	0.39190 (15)	0.0243 (11)
H10E	0.3493	0.1911	0.4128	0.029*
H10F	0.2924	0.2045	0.4073	0.029*
C11C	0.32491 (18)	0.23258 (15)	0.36143 (16)	0.0264 (12)
H11E	0.3567	0.2299	0.3530	0.032*
H11F	0.3229	0.2612	0.3741	0.032*
C12C	0.2819 (2)	0.22474 (15)	0.32397 (16)	0.0281 (12)
H12E	0.2527	0.2412	0.3273	0.034*
H12F	0.2904	0.2332	0.2969	0.034*
C13C	0.40638 (17)	0.07665 (17)	0.21108 (17)	0.0281 (12)
H13E	0.3981	0.0457	0.2096	0.034*
H13F	0.4108	0.0864	0.2409	0.034*
C14C	0.45241 (18)	0.08477 (18)	0.19489 (18)	0.0329 (13)
H14E	0.4741	0.1056	0.2133	0.039*
H14F	0.4709	0.0578	0.1941	0.039*
C15C	0.4346 (2)	0.1024 (2)	0.15132 (19)	0.0422 (15)
H15E	0.4275	0.0791	0.1300	0.051*
H15F	0.4591	0.1220	0.1438	0.051*
C16C	0.3885 (2)	0.12596 (18)	0.15369 (18)	0.0345 (13)
H16E	0.3961	0.1555	0.1643	0.041*
H16F	0.3656	0.1272	0.1254	0.041*
C17C	0.0391 (2)	0.2219 (2)	0.1462 (2)	0.0521 (18)
H17E	0.0150	0.2161	0.1193	0.063*
H17F	0.0582	0.2478	0.1425	0.063*
C18C	0.0134 (3)	0.2282 (3)	0.1823 (3)	0.092 (3)
H18E	0.0074	0.2590	0.1866	0.110*
H18F	−0.0183	0.2127	0.1768	0.110*
C19C	0.0484 (5)	0.2100 (4)	0.2192 (3)	0.072 (5)	0.75
H19E	0.0315	0.2004	0.2414	0.087*	0.75
H19F	0.0742	0.2311	0.2317	0.087*	0.75
C20C	0.0697 (2)	0.17298 (19)	0.20030 (18)	0.0389 (14)
H20E	0.1033	0.1665	0.2167	0.047*
H20F	0.0490	0.1471	0.1997	0.047*
C90C	0.0937 (7)	0.1941 (13)	−0.0084 (8)	0.042 (3)	0.25
H90E	0.0717	0.1789	−0.0322	0.051*	0.25
H90F	0.0849	0.2249	−0.0098	0.051*	0.25
C91C	0.036 (2)	0.2005 (16)	0.2183 (8)	0.072 (5)	0.25
H91E	0.0110	0.1831	0.2279	0.087*	0.25
H91F	0.0545	0.2176	0.2425	0.087*	0.25
Cu1D	0.53360 (2)	0.18176 (2)	0.08251 (2)	0.01961 (15)
Cu2D	0.49570 (2)	0.09630 (2)	0.03852 (2)	0.01932 (15)
Cu3D	0.59888 (2)	0.13048 (2)	0.03435 (2)	0.02077 (15)
Cu4D	0.58123 (2)	0.09694 (2)	0.11884 (2)	0.01929 (15)
Cl1D	0.45209 (4)	0.15956 (4)	0.04904 (4)	0.0255 (3)
Cl2D	0.58974 (4)	0.20677 (4)	0.04192 (4)	0.0244 (3)
Cl3D	0.56402 (4)	0.15942 (4)	0.15501 (4)	0.0262 (3)
Cl4D	0.54095 (4)	0.09118 (4)	−0.01775 (4)	0.0226 (2)
Cl5D	0.65242 (4)	0.09275 (4)	0.09015 (4)	0.0233 (2)
Cl6D	0.51839 (4)	0.04320 (4)	0.09343 (4)	0.0229 (2)
O1D	0.51331 (12)	0.23890 (10)	0.09653 (11)	0.0243 (8)
O2D	0.43682 (11)	0.06652 (10)	0.00726 (10)	0.0217 (7)
O3D	0.64831 (12)	0.13517 (11)	−0.00004 (11)	0.0267 (8)
O4D	0.61108 (11)	0.06668 (10)	0.17160 (10)	0.0210 (7)
O5D	0.55189 (10)	0.12627 (9)	0.06826 (10)	0.0176 (7)
C1D	0.4838 (2)	0.24186 (17)	0.12890 (19)	0.0356 (14)
H1G	0.5054	0.2481	0.1571	0.043*
H1H	0.4667	0.2144	0.1308	0.043*
C2D	0.4473 (3)	0.2771 (3)	0.1162 (3)	0.037 (2)	0.6
H2G	0.4460	0.2957	0.1408	0.045*	0.6
H2H	0.4141	0.2654	0.1044	0.045*	0.6
C3D	0.4665 (2)	0.30226 (17)	0.0819 (2)	0.0471 (17)
H3G	0.4391	0.3153	0.0608	0.057*
H3H	0.4898	0.3250	0.0949	0.057*
C4D	0.4919 (2)	0.26788 (16)	0.06174 (18)	0.0370 (14)
H4G	0.4681	0.2525	0.0393	0.044*
H4H	0.5178	0.2805	0.0490	0.044*
C5D	0.43992 (18)	0.02435 (15)	−0.01224 (17)	0.0264 (12)
H5G	0.4583	0.0037	0.0088	0.032*
H5H	0.4562	0.0265	−0.0364	0.032*
C6D	0.38645 (17)	0.01089 (16)	−0.02732 (17)	0.0273 (12)
H6G	0.3714	0.0238	−0.0552	0.033*
H6H	0.3833	−0.0207	−0.0295	0.033*
C7D	0.36329 (19)	0.02819 (17)	0.00726 (17)	0.0323 (13)
H7G	0.3686	0.0084	0.0319	0.039*
H7H	0.3275	0.0327	−0.0035	0.039*
C8D	0.38952 (17)	0.07047 (16)	0.01941 (17)	0.0283 (12)
H8G	0.3702	0.0945	0.0040	0.034*
H8H	0.3945	0.0756	0.0504	0.034*
C9D	0.6380 (2)	0.1611 (2)	−0.0385 (2)	0.0462 (16)
H9G	0.6374	0.1920	−0.0315	0.055*
H9H	0.6061	0.1531	−0.0571	0.055*
C10D	0.6802 (2)	0.1512 (2)	−0.0598 (2)	0.0457 (16)
H10G	0.6675	0.1457	−0.0906	0.055*
H10H	0.7034	0.1756	−0.0565	0.055*
C11D	0.7054 (2)	0.1120 (2)	−0.0383 (2)	0.0509 (17)
H11G	0.7091	0.0900	−0.0595	0.061*
H11H	0.7383	0.1192	−0.0208	0.061*
C12D	0.6724 (3)	0.0962 (2)	−0.0109 (2)	0.0286 (18)	0.7
H12G	0.6479	0.0756	−0.0265	0.034*	0.7
H12H	0.6916	0.0821	0.0151	0.034*	0.7
C13D	0.57863 (18)	0.05903 (17)	0.20083 (17)	0.0296 (12)
H13G	0.5455	0.0710	0.1893	0.035*
H13H	0.5923	0.0721	0.2289	0.035*
C14D	0.57646 (18)	0.01080 (17)	0.20438 (18)	0.0321 (13)
H14G	0.5517	−0.0016	0.1806	0.038*
H14H	0.5688	0.0020	0.2317	0.038*
C15D	0.62862 (19)	−0.00244 (17)	0.20216 (18)	0.0319 (13)
H15G	0.6520	0.0017	0.2299	0.038*
H15H	0.6298	−0.0327	0.1933	0.038*
C16D	0.63955 (17)	0.02767 (15)	0.16885 (17)	0.0247 (11)
H16G	0.6751	0.0343	0.1746	0.030*
H16H	0.6295	0.0147	0.1402	0.030*
C90D	0.6907 (6)	0.1089 (6)	0.0022 (5)	0.0286 (18)	0.3
H90G	0.6830	0.0788	0.0078	0.034*	0.3
H90H	0.7178	0.1188	0.0256	0.034*	0.3
C91D	0.4687 (6)	0.2879 (4)	0.1254 (4)	0.037 (2)	0.4
H91G	0.4361	0.2912	0.1323	0.045*	0.4
H91H	0.4927	0.3055	0.1457	0.045*	0.4
Cu1E	0.92629 (2)	0.13115 (2)	−0.09928 (2)	0.02059 (15)
Cu2E	0.81738 (2)	0.16202 (2)	−0.11790 (2)	0.01844 (15)
Cu3E	0.84380 (2)	0.07135 (2)	−0.08314 (2)	0.01928 (15)
Cu4E	0.87609 (2)	0.14930 (2)	−0.02544 (2)	0.01782 (14)
Cl1E	0.87989 (4)	0.17525 (4)	−0.15641 (4)	0.0221 (2)
Cl2E	0.91774 (4)	0.05515 (4)	−0.10656 (4)	0.0267 (3)
Cl3E	0.95724 (4)	0.16583 (4)	−0.03234 (4)	0.0243 (3)
Cl4E	0.77022 (4)	0.09699 (3)	−0.12898 (4)	0.0211 (2)
Cl5E	0.85236 (5)	0.07875 (4)	−0.00719 (4)	0.0256 (3)
Cl6E	0.80880 (4)	0.19705 (3)	−0.05347 (4)	0.0210 (2)
O1E	0.98955 (13)	0.13493 (12)	−0.11414 (11)	0.0272 (8)
H25E	1.0104 (8)	0.1221 (17)	−0.0939 (17)	0.033*
H26E	0.989 (2)	0.1195 (14)	−0.1356 (11)	0.033*
O2E	0.76794 (11)	0.19693 (10)	−0.15607 (10)	0.0218 (7)
O3E	0.82162 (11)	0.01241 (10)	−0.08625 (11)	0.0239 (8)
O4E	0.88664 (11)	0.17161 (10)	0.03241 (10)	0.0196 (7)
O5E	0.86592 (11)	0.12858 (9)	−0.08186 (9)	0.0168 (7)
O6E	1.05555 (12)	0.09332 (11)	−0.05579 (11)	0.0321 (9)
C1E	1.0400 (2)	0.06847 (17)	−0.02315 (16)	0.0354 (13)
H1I	1.0067	0.0770	−0.0206	0.042*
H1J	1.0631	0.0723	0.0048	0.042*
C2E	1.04051 (19)	0.02280 (17)	−0.03808 (18)	0.0359 (13)
H2I	1.0086	0.0151	−0.0570	0.043*
H2J	1.0474	0.0028	−0.0137	0.043*
C3E	1.0814 (2)	0.02173 (17)	−0.06196 (19)	0.0424 (15)
H3I	1.0703	0.0071	−0.0897	0.051*
H3J	1.1105	0.0065	−0.0452	0.051*
C4E	1.09345 (19)	0.06839 (17)	−0.06830 (18)	0.0385 (14)
H4I	1.1261	0.0758	−0.0505	0.046*
H4J	1.0937	0.0739	−0.0985	0.046*
C5E	0.7594 (2)	0.1900 (2)	−0.20185 (18)	0.0494 (17)
H5I	0.7496	0.1600	−0.2092	0.059*
H5J	0.7893	0.1967	−0.2123	0.059*
C6E	0.71790 (19)	0.22076 (17)	−0.22075 (17)	0.0324 (13)
H6I	0.6937	0.2067	−0.2439	0.039*
H6J	0.7309	0.2466	−0.2322	0.039*
C7E	0.6942 (2)	0.2326 (2)	−0.18375 (18)	0.0418 (15)
H7I	0.6993	0.2633	−0.1763	0.050*
H7J	0.6584	0.2266	−0.1910	0.050*
C8E	0.7199 (2)	0.20470 (19)	−0.14805 (18)	0.0368 (14)
H8I	0.7227	0.2193	−0.1204	0.044*
H8J	0.7019	0.1774	−0.1477	0.044*
C9E	0.85582 (19)	−0.02260 (15)	−0.07101 (18)	0.0294 (12)
H9I	0.8840	−0.0123	−0.0489	0.035*
H9J	0.8684	−0.0350	−0.0947	0.035*
C10E	0.8265 (2)	−0.05550 (18)	−0.0528 (2)	0.0417 (15)
H10I	0.8299	−0.0510	−0.0219	0.050*
H10J	0.8373	−0.0850	−0.0576	0.050*
C11E	0.77387 (19)	−0.04764 (16)	−0.07726 (18)	0.0322 (13)
H11I	0.7672	−0.0617	−0.1055	0.039*
H11J	0.7498	−0.0580	−0.0612	0.039*
C12E	0.77274 (18)	0.00075 (16)	−0.08127 (18)	0.0296 (12)
H12I	0.7474	0.0099	−0.1063	0.036*
H12J	0.7657	0.0142	−0.0555	0.036*
C13E	0.84555 (18)	0.17107 (16)	0.05370 (16)	0.0243 (11)
H13I	0.8517	0.1504	0.0776	0.029*
H13J	0.8146	0.1631	0.0335	0.029*
C14E	0.8428 (2)	0.21629 (16)	0.06980 (18)	0.0324 (13)
H14I	0.8217	0.2345	0.0480	0.039*
H14J	0.8298	0.2167	0.0960	0.039*
C15E	0.8956 (2)	0.23103 (17)	0.07880 (17)	0.0317 (13)
H15I	0.9146	0.2192	0.1060	0.038*
H15J	0.8979	0.2627	0.0796	0.038*
C16E	0.91327 (18)	0.21285 (16)	0.04133 (16)	0.0253 (11)
H16I	0.9049	0.2323	0.0165	0.030*
H16J	0.9493	0.2082	0.0487	0.030*
O7E	0.9956 (5)	0.1051 (3)	−0.1887 (3)	0.051 (2)	0.75
C17E	1.0159 (4)	0.0636 (3)	−0.1954 (2)	0.051 (2)	0.75
H17I	0.9970	0.0402	−0.1858	0.061*	0.75
H17J	1.0507	0.0615	−0.1800	0.061*	0.75
C18E	1.0114 (4)	0.0614 (3)	−0.2428 (3)	0.073 (3)	0.75
H18I	1.0101	0.0313	−0.2527	0.087*	0.75
H18J	1.0391	0.0762	−0.2511	0.087*	0.75
C19E	0.9631 (5)	0.0843 (3)	−0.2601 (3)	0.062 (2)	0.75
H19I	0.9631	0.0981	−0.2877	0.074*	0.75
H19J	0.9351	0.0641	−0.2639	0.074*	0.75
C20E	0.9605 (3)	0.1171 (3)	−0.2267 (3)	0.040 (2)	0.75
H20I	0.9684	0.1459	−0.2362	0.048*	0.75
H20J	0.9270	0.1179	−0.2212	0.048*	0.75
O90E	1.0034 (17)	0.1078 (8)	−0.1880 (10)	0.051 (2)	0.25
C90E	0.9730 (13)	0.1148 (7)	−0.2295 (10)	0.040 (2)	0.25
H90I	0.9893	0.1349	−0.2457	0.048*	0.25
H90J	0.9412	0.1274	−0.2271	0.048*	0.25
C91E	0.9648 (15)	0.0729 (9)	−0.2516 (8)	0.062 (2)	0.25
H91I	0.9857	0.0702	−0.2725	0.074*	0.25
H91J	0.9300	0.0697	−0.2666	0.074*	0.25
C92E	0.9788 (11)	0.0398 (6)	−0.2168 (8)	0.073 (3)	0.25
H92I	0.9943	0.0145	−0.2270	0.087*	0.25
H92J	0.9496	0.0303	−0.2065	0.087*	0.25
C93E	1.0150 (13)	0.0632 (9)	−0.1822 (8)	0.051 (2)	0.25
H93I	1.0116	0.0536	−0.1537	0.061*	0.25
H93J	1.0491	0.0577	−0.1848	0.061*	0.25
Cu1F	1.20946 (2)	0.16403 (2)	−0.14958 (2)	0.01772 (14)
Cu2F	1.22168 (2)	0.07615 (2)	−0.10288 (2)	0.01739 (14)
Cu3F	1.31060 (2)	0.12033 (2)	−0.12604 (2)	0.01975 (15)
Cu4F	1.26462 (2)	0.15855 (2)	−0.05591 (2)	0.01716 (14)
Cl1F	1.15383 (4)	0.10320 (4)	−0.15463 (4)	0.0220 (2)
Cl2F	1.27446 (4)	0.16138 (4)	−0.18772 (3)	0.0193 (2)
Cl3F	1.21525 (4)	0.21402 (4)	−0.09291 (4)	0.0240 (3)
Cl4F	1.28980 (4)	0.04573 (4)	−0.12703 (4)	0.0245 (3)
Cl5F	1.34890 (4)	0.15943 (4)	−0.06415 (4)	0.0260 (3)
Cl6F	1.23904 (4)	0.09385 (3)	−0.02826 (4)	0.0217 (2)
O1F	1.16755 (12)	0.20156 (11)	−0.18884 (11)	0.0236 (8)
H25F	1.1573 (18)	0.1953 (16)	−0.2144 (8)	0.028*
H26F	1.1422 (12)	0.2060 (16)	−0.1796 (16)	0.028*
O2F	1.19323 (11)	0.02045 (9)	−0.09423 (10)	0.0201 (7)
O3F	1.37216 (12)	0.10672 (11)	−0.14337 (11)	0.0203 (10)	0.9
O4F	1.27921 (12)	0.18843 (9)	−0.00136 (10)	0.0209 (7)
O5F	1.25112 (10)	0.12959 (9)	−0.10900 (9)	0.0147 (6)
O6F	1.13173 (18)	0.18100 (17)	−0.26883 (13)	0.0684 (15)
O7F	1.08845 (13)	0.22693 (12)	−0.16254 (12)	0.0346 (9)
O90F	1.3776 (11)	0.1187 (9)	−0.1313 (9)	0.0203 (10)	0.1
C1F	1.1590 (3)	0.1925 (2)	−0.29932 (18)	0.0535 (19)
H1K	1.1939	0.1841	−0.2893	0.064*
H1L	1.1574	0.2238	−0.3043	0.064*
C2F	1.1362 (2)	0.1690 (3)	−0.3393 (2)	0.042 (2)	0.8
H2K	1.1339	0.1877	−0.3644	0.051*	0.8
H2L	1.1557	0.1433	−0.3427	0.051*	0.8
C3F	1.0869 (2)	0.1568 (2)	−0.3341 (2)	0.0584 (19)
H3K	1.0761	0.1295	−0.3489	0.070*
H3L	1.0625	0.1794	−0.3452	0.070*
C4F	1.0938 (2)	0.1521 (2)	−0.2875 (2)	0.0554 (19)
H4K	1.0630	0.1591	−0.2786	0.067*
H4L	1.1032	0.1223	−0.2787	0.067*
C5F	1.16854 (19)	−0.00507 (15)	−0.13126 (16)	0.0255 (11)
H5K	1.1879	−0.0051	−0.1535	0.031*
H5L	1.1354	0.0064	−0.1436	0.031*
C6F	1.16544 (18)	−0.04913 (15)	−0.11402 (17)	0.0267 (12)
H6K	1.1624	−0.0711	−0.1366	0.032*
H6L	1.1374	−0.0518	−0.1001	0.032*
C7F	1.21475 (18)	−0.05296 (15)	−0.08159 (17)	0.0262 (11)
H7K	1.2132	−0.0751	−0.0599	0.031*
H7L	1.2417	−0.0601	−0.0958	0.031*
C8F	1.22160 (19)	−0.00859 (15)	−0.06191 (16)	0.0269 (12)
H8K	1.2091	−0.0076	−0.0355	0.032*
H8L	1.2568	−0.0005	−0.0550	0.032*
C9F	1.31095 (18)	0.16849 (15)	0.03590 (15)	0.0231 (11)
H9K	1.3378	0.1522	0.0277	0.028*
H9L	1.2919	0.1488	0.0501	0.028*
C10F	1.3310 (2)	0.20533 (16)	0.06449 (16)	0.0301 (12)
H10K	1.3635	0.1982	0.0828	0.036*
H10L	1.3083	0.2135	0.0827	0.036*
C11F	1.3352 (2)	0.24069 (16)	0.03355 (17)	0.0332 (13)
H11K	1.3650	0.2371	0.0220	0.040*
H11L	1.3360	0.2693	0.0471	0.040*
C12F	1.2889 (2)	0.23471 (14)	−0.00082 (17)	0.0293 (12)
H12K	1.2612	0.2510	0.0060	0.035*
H12L	1.2939	0.2445	−0.0287	0.035*
C13F	1.40994 (18)	0.08372 (17)	−0.11267 (17)	0.0300 (12)
H13K	1.4021	0.0528	−0.1130	0.036*
H13L	1.4119	0.0949	−0.0836	0.036*
C14F	1.45735 (19)	0.09074 (18)	−0.12555 (18)	0.0355 (13)
H14K	1.4733	0.0630	−0.1289	0.043*
H14L	1.4800	0.1081	−0.1040	0.043*
C15F	1.44405 (18)	0.11428 (18)	−0.16738 (17)	0.0305 (12)
H15K	1.4383	0.0941	−0.1917	0.037*
H15L	1.4701	0.1348	−0.1703	0.037*
C16F	1.39731 (18)	0.13736 (17)	−0.16453 (18)	0.0335 (13)
H16K	1.4046	0.1641	−0.1477	0.040*
H16L	1.3775	0.1445	−0.1932	0.040*
C17F	1.0434 (2)	0.21127 (19)	−0.18874 (18)	0.0393 (14)
H17K	1.0425	0.1795	−0.1882	0.047*
H17L	1.0398	0.2209	−0.2185	0.047*
C18F	1.00292 (19)	0.22990 (19)	−0.16983 (18)	0.0374 (14)
H18K	0.9756	0.2092	−0.1717	0.045*
H18L	0.9899	0.2567	−0.1845	0.045*
C19F	1.0288 (2)	0.23858 (19)	−0.12315 (19)	0.0401 (14)
H19K	1.0280	0.2695	−0.1164	0.048*
H19L	1.0130	0.2223	−0.1035	0.048*
C20F	1.0809 (2)	0.2236 (2)	−0.11984 (18)	0.0393 (14)
H20K	1.1044	0.2419	−0.1000	0.047*
H20L	1.0850	0.1935	−0.1096	0.047*
C90F	1.1264 (8)	0.1869 (9)	−0.3421 (6)	0.042 (2)	0.2
H90K	1.1444	0.1742	−0.3622	0.051*	0.2
H90L	1.1121	0.2147	−0.3537	0.051*	0.2
Cu1G	1.52994 (2)	0.19386 (2)	−0.23947 (2)	0.02050 (15)
Cu2G	1.49492 (2)	0.10843 (2)	−0.28530 (2)	0.01986 (15)
Cu3G	1.59326 (2)	0.14977 (2)	−0.29310 (2)	0.02139 (15)
Cu4G	1.58412 (2)	0.11058 (2)	−0.20790 (2)	0.01949 (15)
Cl1G	1.44851 (4)	0.16883 (4)	−0.27159 (4)	0.0250 (3)
Cl2G	1.58332 (4)	0.22417 (4)	−0.27949 (4)	0.0267 (3)
Cl3G	1.56686 (4)	0.17081 (4)	−0.16790 (4)	0.0254 (3)
Cl4G	1.53727 (4)	0.10647 (4)	−0.34320 (4)	0.0237 (2)
Cl5G	1.65329 (4)	0.11279 (4)	−0.23978 (4)	0.0233 (2)
Cl6G	1.52341 (4)	0.05480 (4)	−0.23189 (4)	0.0223 (2)
O1G	1.50685 (11)	0.24794 (10)	−0.22185 (11)	0.0235 (8)
O2G	1.43758 (11)	0.07640 (10)	−0.31554 (10)	0.0228 (7)
O3G	1.63611 (12)	0.16182 (11)	−0.33203 (11)	0.0266 (8)
O4G	1.61571 (11)	0.07934 (10)	−0.15652 (10)	0.0202 (7)
O5G	1.55019 (10)	0.14033 (9)	−0.25658 (10)	0.0183 (7)
C1G	1.47433 (17)	0.24664 (15)	−0.19171 (16)	0.0242 (11)
H1M	1.4925	0.2548	−0.1628	0.029*
H1N	1.4605	0.2176	−0.1906	0.029*
C2G	1.43420 (18)	0.27850 (16)	−0.20849 (17)	0.0285 (12)
H2M	1.4228	0.2927	−0.1850	0.034*
H2N	1.4058	0.2646	−0.2277	0.034*
C3G	1.4594 (2)	0.31034 (16)	−0.23262 (19)	0.0343 (13)
H3M	1.4351	0.3265	−0.2540	0.041*
H3N	1.4802	0.3308	−0.2130	0.041*
C4G	1.48988 (19)	0.28114 (15)	−0.25350 (18)	0.0309 (13)
H4M	1.4698	0.2687	−0.2800	0.037*
H4N	1.5180	0.2968	−0.2603	0.037*
C5G	1.44221 (18)	0.03622 (16)	−0.33724 (19)	0.0330 (13)
H5M	1.4610	0.0149	−0.3173	0.040*
H5N	1.4588	0.0407	−0.3610	0.040*
C6G	1.3882 (4)	0.0214 (4)	−0.3541 (3)	0.033 (2)	0.7
H6M	1.3727	0.0360	−0.3810	0.039*	0.7
H6N	1.3861	−0.0101	−0.3584	0.039*	0.7
C7G	1.3657 (3)	0.0351 (3)	−0.3184 (3)	0.039 (2)	0.7
H7M	1.3717	0.0134	−0.2953	0.047*	0.7
H7N	1.3297	0.0391	−0.3285	0.047*	0.7
C8G	1.39045 (18)	0.07700 (17)	−0.30290 (18)	0.0309 (13)
H8M	1.3702	0.1015	−0.3162	0.037*
H8N	1.3956	0.0794	−0.2716	0.037*
C9G	1.6149 (2)	0.1872 (2)	−0.37022 (18)	0.0402 (14)
H9M	1.6164	0.2182	−0.3635	0.048*
H9N	1.5802	0.1791	−0.3817	0.048*
C10G	1.6462 (2)	0.1767 (2)	−0.40225 (19)	0.0469 (17)
H10M	1.6271	0.1599	−0.4264	0.056*
H10N	1.6582	0.2033	−0.4133	0.056*
C11G	1.6886 (2)	0.1506 (2)	−0.3771 (2)	0.0513 (18)
H11M	1.7002	0.1294	−0.3954	0.062*
H11N	1.7165	0.1693	−0.3637	0.062*
C12G	1.6669 (2)	0.12880 (18)	−0.34396 (19)	0.0369 (14)
H12M	1.6472	0.1035	−0.3559	0.044*
H12N	1.6928	0.1197	−0.3193	0.044*
C13G	1.58331 (18)	0.06894 (17)	−0.12771 (16)	0.0287 (12)
H13M	1.5492	0.0784	−0.1400	0.034*
H13N	1.5950	0.0830	−0.0997	0.034*
C14G	1.58590 (19)	0.02102 (17)	−0.12328 (19)	0.0347 (13)
H14M	1.5626	0.0068	−0.1469	0.042*
H14N	1.5791	0.0116	−0.0959	0.042*
C15G	1.63931 (18)	0.01194 (17)	−0.12514 (17)	0.0289 (12)
H15M	1.6623	0.0190	−0.0979	0.035*
H15N	1.6439	−0.0184	−0.1324	0.035*
C16G	1.64603 (17)	0.04194 (15)	−0.16044 (16)	0.0230 (11)
H16M	1.6810	0.0502	−0.1567	0.028*
H16N	1.6348	0.0282	−0.1886	0.028*
C90G	1.3942 (11)	0.0133 (10)	−0.3363 (8)	0.033 (2)	0.3
H90M	1.3839	−0.0060	−0.3610	0.039*	0.3
H90N	1.3970	−0.0033	−0.3097	0.039*	0.3
C91G	1.3600 (9)	0.0499 (8)	−0.3382 (7)	0.039 (2)	0.3
H91M	1.3283	0.0411	−0.3319	0.047*	0.3
H91N	1.3539	0.0647	−0.3661	0.047*	0.3
Cu1H	1.91222 (2)	0.11066 (2)	−0.43646 (2)	0.01858 (15)
Cu2H	1.80650 (2)	0.14604 (2)	−0.45420 (2)	0.01795 (15)
Cu3H	1.83091 (2)	0.05892 (2)	−0.40853 (2)	0.01653 (14)
Cu4H	1.86805 (2)	0.14258 (2)	−0.36206 (2)	0.01868 (15)
Cl1H	1.87102 (4)	0.15865 (4)	−0.49137 (4)	0.0209 (2)
Cl2H	1.89812 (4)	0.03516 (3)	−0.43610 (4)	0.0203 (2)
Cl3H	1.94987 (4)	0.14725 (4)	−0.36981 (4)	0.0273 (3)
Cl4H	1.75909 (4)	0.08201 (4)	−0.46151 (4)	0.0223 (2)
Cl5H	1.83310 (4)	0.07973 (4)	−0.33702 (4)	0.0230 (2)
Cl6H	1.80364 (4)	0.19144 (3)	−0.39492 (4)	0.0221 (2)
O1H	1.97160 (12)	0.10544 (11)	−0.45731 (11)	0.0233 (7)
H25H	1.9941 (14)	0.0934 (15)	−0.4398 (13)	0.028*
H26H	1.9681 (19)	0.0918 (15)	−0.4800 (10)	0.028*
O2H	1.75775 (11)	0.17838 (10)	−0.49566 (10)	0.0233 (7)
O3H	1.80600 (11)	0.00197 (9)	−0.39996 (10)	0.0188 (7)
O4H	1.88013 (12)	0.17128 (10)	−0.30655 (10)	0.0235 (7)
O5H	1.85473 (10)	0.11468 (9)	−0.41544 (9)	0.0156 (7)
O6H	2.03953 (13)	0.06371 (14)	−0.40237 (12)	0.0439 (11)
O7H	1.96812 (13)	0.06426 (12)	−0.53081 (11)	0.0338 (9)
C1H	2.02788 (19)	0.04423 (19)	−0.36514 (17)	0.0355 (14)
H1O	1.9979	0.0264	−0.3733	0.043*
H1P	2.0223	0.0666	−0.3449	0.043*
C2H	2.0710 (2)	0.0171 (2)	−0.34536 (19)	0.0421 (15)
H2O	2.0791	0.0204	−0.3140	0.051*
H2P	2.0643	−0.0135	−0.3524	0.051*
C3H	2.1121 (2)	0.0331 (2)	−0.3639 (2)	0.0486 (17)
H3O	2.1306	0.0560	−0.3460	0.058*
H3P	2.1350	0.0095	−0.3665	0.058*
C4H	2.0875 (2)	0.0498 (2)	−0.4062 (2)	0.0472 (17)
H4O	2.1063	0.0741	−0.4144	0.057*
H4P	2.0847	0.0271	−0.4281	0.057*
C5H	1.7445 (2)	0.16391 (19)	−0.53951 (17)	0.0373 (14)
H5O	1.7290	0.1352	−0.5416	0.045*
H5P	1.7737	0.1626	−0.5521	0.045*
C6H	1.7088 (2)	0.1972 (2)	−0.56126 (19)	0.0444 (16)
H6O	1.6867	0.1855	−0.5872	0.053*
H6P	1.7261	0.2227	−0.5690	0.053*
C7H	1.6809 (2)	0.2079 (2)	−0.5276 (2)	0.063 (2)
H7O	1.6488	0.1931	−0.5336	0.076*
H7P	1.6751	0.2392	−0.5270	0.076*
C8H	1.7123 (2)	0.1930 (3)	−0.4852 (2)	0.0344 (19)	0.75
H8O	1.7187	0.2169	−0.4644	0.041*	0.75
H8P	1.6960	0.1694	−0.4731	0.041*	0.75
C9H	1.81306 (18)	−0.03627 (15)	−0.42470 (16)	0.0237 (11)
H9O	1.8475	−0.0465	−0.4166	0.028*
H9P	1.8046	−0.0301	−0.4556	0.028*
C10H	1.77838 (18)	−0.06890 (15)	−0.41328 (17)	0.0257 (11)
H10O	1.7930	−0.0833	−0.3860	0.031*
H10P	1.7689	−0.0907	−0.4359	0.031*
C11H	1.73484 (17)	−0.04106 (15)	−0.40947 (16)	0.0241 (11)
H11O	1.7146	−0.0334	−0.4378	0.029*
H11P	1.7139	−0.0556	−0.3928	0.029*
C12H	1.75942 (16)	−0.00208 (14)	−0.38651 (16)	0.0208 (10)
H12O	1.7388	0.0237	−0.3946	0.025*
H12P	1.7654	−0.0060	−0.3553	0.025*
C13H	1.8381 (2)	0.17726 (16)	−0.28684 (17)	0.0305 (12)
H13O	1.8427	0.1610	−0.2599	0.037*
H13P	1.8072	0.1678	−0.3062	0.037*
C14H	1.8373 (2)	0.22470 (17)	−0.2788 (2)	0.0399 (15)
H14O	1.8217	0.2312	−0.2549	0.048*
H14P	1.8196	0.2403	−0.3045	0.048*
C15H	1.8914 (2)	0.23590 (17)	−0.26797 (18)	0.0366 (14)
H15O	1.8967	0.2670	−0.2710	0.044*
H15P	1.9073	0.2268	−0.2387	0.044*
C16H	1.9101 (2)	0.21050 (16)	−0.30060 (17)	0.0316 (13)
H16O	1.9058	0.2267	−0.3276	0.038*
H16P	1.9454	0.2035	−0.2903	0.038*
C17H	2.0157 (2)	0.04674 (19)	−0.53243 (18)	0.0382 (14)
H17O	2.0132	0.0154	−0.5372	0.046*
H17P	2.0397	0.0523	−0.5053	0.046*
C18H	2.0315 (2)	0.0680 (3)	−0.5680 (2)	0.065 (2)
H18O	2.0619	0.0845	−0.5571	0.078*
H18P	2.0381	0.0463	−0.5883	0.078*
C19H	1.9936 (2)	0.0956 (3)	−0.5882 (2)	0.071 (3)
H19O	1.9838	0.0886	−0.6189	0.085*
H19P	2.0052	0.1257	−0.5853	0.085*
C20H	1.95082 (19)	0.09026 (19)	−0.56820 (17)	0.0336 (13)
H20O	1.9393	0.1185	−0.5603	0.040*
H20P	1.9233	0.0759	−0.5881	0.040*
C90H	1.7239 (6)	0.2113 (7)	−0.4897 (7)	0.0344 (19)	0.25
H90O	1.7394	0.2399	−0.4887	0.041*	0.25
H90P	1.7130	0.2067	−0.4629	0.041*	0.25
Cu1I	2.20220 (2)	0.15704 (2)	−0.48596 (2)	0.01830 (15)
Cu2I	2.22420 (2)	0.07151 (2)	−0.43694 (2)	0.01748 (14)
Cu3I	2.30866 (2)	0.12336 (2)	−0.45850 (2)	0.01838 (15)
Cu4I	2.25567 (2)	0.15787 (2)	−0.39138 (2)	0.01778 (14)
Cl1I	2.26949 (4)	0.16163 (3)	−0.52113 (3)	0.0191 (2)
Cl2I	2.34158 (4)	0.15905 (4)	−0.39333 (4)	0.0252 (3)
Cl3I	2.29333 (4)	0.04738 (3)	−0.46475 (4)	0.0225 (2)
Cl4I	2.15470 (4)	0.09181 (3)	−0.49064 (4)	0.0214 (2)
Cl5I	2.23414 (5)	0.09052 (4)	−0.36351 (4)	0.0246 (3)
Cl6I	2.19869 (4)	0.20716 (4)	−0.43003 (4)	0.0250 (3)
O1I	2.15533 (13)	0.18867 (11)	−0.52776 (11)	0.0244 (8)
H25I	2.1479 (19)	0.1779 (16)	−0.5522 (9)	0.029*
H26I	2.1279 (11)	0.1893 (17)	−0.5209 (16)	0.029*
O2I	2.20201 (11)	0.01381 (9)	−0.42808 (10)	0.0200 (7)
O3I	2.37396 (11)	0.11888 (10)	−0.47169 (10)	0.0225 (7)
O4I	2.26505 (12)	0.19021 (9)	−0.33853 (10)	0.0208 (7)
O5I	2.24736 (11)	0.12755 (9)	−0.44331 (9)	0.0164 (7)
O6I	2.14241 (14)	0.16146 (15)	−0.60616 (11)	0.0463 (11)
O7I	2.06829 (13)	0.18259 (12)	−0.50551 (11)	0.0332 (9)
C1I	2.16936 (19)	0.17894 (18)	−0.63538 (17)	0.0326 (13)
H1Q	2.2034	0.1677	−0.6290	0.039*
H1R	2.1707	0.2106	−0.6332	0.039*
C2I	2.1426 (2)	0.16540 (18)	−0.67908 (17)	0.0347 (13)
H2Q	2.1558	0.1381	−0.6875	0.042*
H2R	2.1447	0.1877	−0.7005	0.042*
C3I	2.08992 (19)	0.15999 (18)	−0.67412 (18)	0.0342 (13)
H3Q	2.0720	0.1876	−0.6782	0.041*
H3R	2.0719	0.1387	−0.6946	0.041*
C4I	2.09677 (19)	0.14435 (18)	−0.62918 (18)	0.0354 (13)
H4Q	2.0695	0.1544	−0.6167	0.043*
H4R	2.0975	0.1126	−0.6283	0.043*
C5I	2.17486 (18)	−0.01189 (14)	−0.46402 (15)	0.0231 (11)
H5Q	2.1915	−0.0113	−0.4881	0.028*
H5R	2.1408	−0.0012	−0.4739	0.028*
C6I	2.17533 (18)	−0.05612 (15)	−0.44583 (15)	0.0236 (11)
H6Q	2.1695	−0.0781	−0.4685	0.028*
H6R	2.1503	−0.0592	−0.4286	0.028*
C7I	2.22714 (18)	−0.05911 (15)	−0.41833 (17)	0.0276 (12)
H7Q	2.2294	−0.0814	−0.3962	0.033*
H7R	2.2513	−0.0655	−0.4357	0.033*
C8I	2.23543 (18)	−0.01466 (15)	−0.39872 (16)	0.0240 (11)
H8Q	2.2277	−0.0143	−0.3702	0.029*
H8R	2.2700	−0.0056	−0.3959	0.029*
C9I	2.2959 (2)	0.17253 (15)	−0.29927 (15)	0.0261 (11)
H9I1	2.3236	0.1559	−0.3055	0.031*
H9I2	2.2764	0.1536	−0.2848	0.031*
C10I	2.3142 (2)	0.21085 (16)	−0.27231 (16)	0.0310 (13)
H10Q	2.3460	0.2047	−0.2524	0.037*
H10R	2.2901	0.2202	−0.2558	0.037*
C11I	2.3201 (2)	0.24449 (17)	−0.30492 (17)	0.0330 (13)
H11Q	2.3201	0.2738	−0.2932	0.040*
H11R	2.3507	0.2400	−0.3149	0.040*
C12I	2.27522 (19)	0.23666 (14)	−0.34006 (16)	0.0251 (11)
H12Q	2.2470	0.2536	−0.3353	0.030*
H12R	2.2817	0.2447	−0.3680	0.030*
C13I	2.41014 (17)	0.09340 (16)	−0.44236 (17)	0.0273 (12)
H13Q	2.3950	0.0670	−0.4341	0.033*
H13R	2.4244	0.1100	−0.4164	0.033*
C14I	2.4491 (2)	0.08255 (19)	−0.46626 (18)	0.0391 (14)
H14Q	2.4668	0.0558	−0.4556	0.047*
H14R	2.4730	0.1062	−0.4651	0.047*
C15I	2.4164 (3)	0.0768 (3)	−0.5114 (3)	0.043 (2)	0.7
H15Q	2.4358	0.0803	−0.5333	0.051*	0.7
H15R	2.4009	0.0481	−0.5146	0.051*	0.7
C16I	2.3792 (2)	0.1105 (2)	−0.51498 (17)	0.0413 (15)
H16Q	2.3899	0.1367	−0.5276	0.050*
H16R	2.3475	0.1009	−0.5331	0.050*
C17I	2.0208 (2)	0.2004 (2)	−0.5201 (2)	0.0587 (19)
H17Q	1.9982	0.1785	−0.5359	0.070*
H17R	2.0223	0.2247	−0.5395	0.070*
C18I	2.0026 (2)	0.2154 (2)	−0.4829 (2)	0.0540 (19)
H18Q	1.9699	0.2030	−0.4830	0.065*
H18R	2.0000	0.2471	−0.4828	0.065*
C19I	2.0414 (2)	0.1997 (2)	−0.4440 (2)	0.0466 (16)
H19Q	2.0628	0.2234	−0.4306	0.056*
H19R	2.0257	0.1864	−0.4225	0.056*
C20I	2.0698 (2)	0.16701 (17)	−0.46325 (17)	0.0330 (13)
H20Q	2.1041	0.1650	−0.4466	0.040*
H20R	2.0543	0.1384	−0.4642	0.040*
C90I	2.4315 (5)	0.0992 (7)	−0.5103 (5)	0.043 (2)	0.3
H90Q	2.4507	0.1248	−0.5148	0.051*	0.3
H90R	2.4352	0.0771	−0.5314	0.051*	0.3

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cu1A	0.0182 (3)	0.0174 (3)	0.0222 (4)	0.0014 (3)	0.0040 (3)	−0.0011 (3)
Cu2A	0.0157 (3)	0.0192 (4)	0.0199 (4)	−0.0001 (3)	0.0030 (3)	−0.0012 (3)
Cu3A	0.0182 (3)	0.0232 (4)	0.0247 (4)	0.0017 (3)	0.0090 (3)	0.0037 (3)
Cu4A	0.0153 (3)	0.0209 (4)	0.0191 (4)	0.0010 (3)	0.0027 (3)	0.0028 (3)
Cl1A	0.0164 (5)	0.0229 (6)	0.0370 (7)	0.0026 (4)	0.0025 (5)	−0.0072 (5)
Cl2A	0.0256 (6)	0.0192 (6)	0.0318 (7)	−0.0004 (4)	0.0101 (5)	0.0024 (5)
Cl3A	0.0350 (7)	0.0238 (6)	0.0193 (6)	0.0041 (5)	0.0029 (5)	−0.0014 (5)
Cl4A	0.0298 (6)	0.0260 (6)	0.0213 (6)	−0.0038 (5)	0.0103 (5)	−0.0035 (5)
Cl5A	0.0138 (5)	0.0284 (6)	0.0273 (6)	0.0025 (4)	0.0053 (5)	0.0051 (5)
Cl6A	0.0217 (6)	0.0226 (6)	0.0209 (6)	−0.0040 (4)	0.0016 (5)	0.0040 (5)
O1A	0.0262 (18)	0.0158 (17)	0.0259 (19)	0.0032 (13)	0.0046 (15)	−0.0056 (15)
O2A	0.0160 (16)	0.0187 (17)	0.0255 (18)	−0.0020 (13)	0.0050 (14)	−0.0036 (15)
O3A	0.034 (2)	0.042 (2)	0.046 (2)	0.0136 (17)	0.0272 (19)	0.019 (2)
O4A	0.0160 (16)	0.0261 (18)	0.0192 (18)	0.0002 (13)	0.0032 (14)	0.0054 (15)
O5A	0.0124 (15)	0.0175 (16)	0.0217 (17)	0.0008 (12)	0.0029 (13)	−0.0001 (14)
C1A	0.028 (3)	0.040 (3)	0.057 (4)	−0.004 (2)	0.018 (3)	−0.025 (3)
C2A	0.062 (4)	0.030 (3)	0.066 (5)	0.013 (3)	0.030 (4)	−0.003 (3)
C3A	0.049 (4)	0.023 (3)	0.044 (4)	0.002 (3)	0.002 (3)	−0.013 (3)
C4A	0.028 (3)	0.030 (3)	0.046 (4)	−0.003 (2)	0.002 (3)	−0.018 (3)
C5A	0.020 (2)	0.021 (3)	0.029 (3)	0.0054 (19)	0.001 (2)	−0.005 (2)
C6A	0.025 (3)	0.020 (3)	0.023 (3)	−0.006 (2)	0.000 (2)	−0.007 (2)
C7A	0.026 (3)	0.030 (3)	0.028 (3)	−0.008 (2)	0.008 (2)	−0.006 (2)
C8A	0.018 (2)	0.029 (3)	0.030 (3)	−0.001 (2)	0.009 (2)	−0.005 (2)
C9A	0.045 (3)	0.035 (3)	0.036 (3)	0.001 (2)	0.021 (3)	0.005 (3)
C10A	0.042 (3)	0.055 (4)	0.035 (3)	−0.015 (2)	0.022 (3)	−0.004 (3)
C11A	0.047 (3)	0.095 (5)	0.052 (5)	0.019 (3)	0.037 (3)	0.017 (5)
C12A	0.047 (3)	0.095 (5)	0.052 (5)	0.019 (3)	0.037 (3)	0.017 (5)
C13A	0.020 (2)	0.035 (3)	0.019 (3)	−0.001 (2)	0.010 (2)	0.006 (2)
C14A	0.023 (3)	0.038 (3)	0.023 (3)	0.003 (2)	0.008 (2)	0.001 (2)
C15A	0.021 (3)	0.040 (3)	0.022 (3)	0.003 (2)	0.003 (2)	0.002 (2)
C16A	0.015 (2)	0.037 (3)	0.027 (3)	−0.003 (2)	0.004 (2)	0.006 (2)
C90A	0.047 (3)	0.095 (5)	0.052 (5)	0.019 (3)	0.037 (3)	0.017 (5)
C91A	0.047 (3)	0.095 (5)	0.052 (5)	0.019 (3)	0.037 (3)	0.017 (5)
Cu1B	0.0145 (3)	0.0209 (4)	0.0198 (4)	0.0000 (3)	0.0056 (3)	0.0015 (3)
Cu2B	0.0159 (3)	0.0183 (3)	0.0171 (4)	0.0007 (3)	0.0029 (3)	0.0029 (3)
Cu3B	0.0181 (3)	0.0138 (3)	0.0204 (4)	−0.0022 (3)	0.0056 (3)	−0.0005 (3)
Cu4B	0.0178 (3)	0.0175 (3)	0.0161 (4)	−0.0015 (3)	0.0043 (3)	−0.0015 (3)
Cl1B	0.0180 (5)	0.0228 (6)	0.0196 (6)	−0.0004 (4)	0.0059 (5)	0.0049 (5)
Cl2B	0.0180 (5)	0.0194 (6)	0.0276 (6)	0.0014 (4)	0.0072 (5)	−0.0019 (5)
Cl3B	0.0158 (5)	0.0342 (7)	0.0248 (6)	−0.0040 (5)	0.0049 (5)	−0.0077 (5)
Cl4B	0.0189 (5)	0.0208 (6)	0.0247 (6)	−0.0046 (4)	0.0000 (5)	0.0030 (5)
Cl5B	0.0313 (6)	0.0178 (6)	0.0182 (6)	−0.0046 (5)	0.0092 (5)	−0.0001 (5)
Cl6B	0.0270 (6)	0.0207 (6)	0.0209 (6)	0.0067 (5)	0.0056 (5)	0.0003 (5)
O1B	0.0184 (17)	0.029 (2)	0.0187 (19)	0.0017 (14)	0.0074 (15)	0.0025 (16)
O2B	0.0185 (16)	0.0232 (18)	0.0211 (18)	0.0032 (13)	0.0021 (14)	0.0032 (15)
O3B	0.0261 (18)	0.0127 (16)	0.0294 (19)	−0.0018 (13)	0.0110 (15)	−0.0011 (15)
O4B	0.0216 (17)	0.0196 (17)	0.0183 (17)	−0.0043 (13)	0.0058 (14)	−0.0045 (14)
O5B	0.0150 (15)	0.0151 (16)	0.0178 (17)	0.0011 (12)	0.0046 (13)	0.0029 (13)
O6B	0.027 (2)	0.076 (3)	0.028 (2)	0.0203 (19)	0.0131 (17)	0.024 (2)
O7B	0.0235 (18)	0.046 (2)	0.0214 (19)	0.0049 (16)	0.0072 (15)	0.0083 (17)
C1B	0.024 (3)	0.049 (4)	0.025 (3)	−0.001 (2)	0.009 (2)	0.010 (3)
C2B	0.030 (3)	0.046 (4)	0.031 (3)	0.002 (2)	0.008 (3)	0.010 (3)
C3B	0.023 (3)	0.047 (4)	0.047 (4)	0.008 (2)	0.008 (3)	0.020 (3)
C4B	0.024 (3)	0.063 (4)	0.039 (4)	0.013 (3)	0.013 (3)	0.009 (3)
C5B	0.022 (3)	0.037 (3)	0.018 (3)	−0.002 (2)	0.002 (2)	0.002 (2)
C6B	0.027 (3)	0.041 (3)	0.029 (3)	−0.009 (2)	−0.003 (2)	0.010 (3)
C7B	0.033 (3)	0.044 (4)	0.046 (4)	0.016 (3)	−0.002 (3)	0.008 (3)
C8B	0.023 (3)	0.055 (4)	0.036 (3)	0.014 (3)	0.006 (3)	0.000 (3)
C9B	0.032 (3)	0.017 (2)	0.027 (3)	0.001 (2)	0.014 (2)	−0.001 (2)
C10B	0.030 (3)	0.015 (2)	0.027 (3)	−0.003 (2)	0.009 (2)	−0.003 (2)
C11B	0.025 (3)	0.024 (3)	0.025 (3)	−0.003 (2)	0.003 (2)	0.004 (2)
C12B	0.025 (3)	0.023 (3)	0.038 (3)	−0.003 (2)	0.017 (2)	0.001 (2)
C13B	0.025 (3)	0.023 (3)	0.019 (3)	−0.002 (2)	0.009 (2)	0.003 (2)
C14B	0.034 (3)	0.021 (3)	0.027 (3)	0.004 (2)	0.012 (2)	−0.002 (2)
C15B	0.041 (3)	0.022 (3)	0.023 (3)	−0.002 (2)	0.002 (2)	−0.006 (2)
C16B	0.031 (3)	0.025 (3)	0.025 (3)	−0.010 (2)	0.007 (2)	−0.003 (2)
C17B	0.027 (3)	0.038 (3)	0.030 (3)	0.010 (2)	0.008 (2)	0.001 (3)
C18B	0.025 (3)	0.062 (4)	0.028 (3)	0.007 (3)	0.012 (2)	0.006 (3)
C19B	0.030 (5)	0.033 (6)	0.017 (5)	0.002 (4)	0.004 (4)	−0.001 (4)
C20B	0.027 (3)	0.058 (4)	0.026 (3)	0.016 (3)	0.005 (2)	0.005 (3)
C90B	0.030 (5)	0.033 (6)	0.017 (5)	0.002 (4)	0.004 (4)	−0.001 (4)
Cu1C	0.0153 (3)	0.0191 (3)	0.0163 (3)	0.0025 (3)	0.0027 (3)	0.0032 (3)
Cu2C	0.0158 (3)	0.0143 (3)	0.0181 (4)	−0.0017 (2)	0.0039 (3)	0.0005 (3)
Cu3C	0.0145 (3)	0.0239 (4)	0.0191 (4)	0.0026 (3)	0.0065 (3)	0.0047 (3)
Cu4C	0.0173 (3)	0.0144 (3)	0.0159 (3)	−0.0008 (3)	0.0035 (3)	0.0002 (3)
Cl1C	0.0168 (5)	0.0218 (6)	0.0282 (7)	−0.0028 (4)	−0.0028 (5)	0.0036 (5)
Cl2C	0.0203 (5)	0.0261 (6)	0.0181 (6)	0.0041 (4)	0.0076 (5)	0.0070 (5)
Cl3C	0.0280 (6)	0.0184 (6)	0.0198 (6)	0.0066 (4)	0.0023 (5)	0.0004 (5)
Cl4C	0.0208 (6)	0.0191 (6)	0.0259 (6)	0.0046 (4)	0.0083 (5)	0.0000 (5)
Cl5C	0.0154 (5)	0.0302 (6)	0.0263 (6)	−0.0051 (5)	0.0034 (5)	−0.0034 (5)
Cl6C	0.0260 (6)	0.0171 (5)	0.0157 (6)	−0.0045 (4)	0.0055 (5)	0.0011 (5)
O1C	0.0205 (17)	0.0292 (19)	0.0170 (18)	0.0075 (15)	0.0029 (15)	0.0011 (15)
O2C	0.0225 (17)	0.0140 (16)	0.0222 (18)	−0.0021 (13)	0.0036 (14)	−0.0002 (14)
O3C	0.0184 (17)	0.043 (2)	0.028 (2)	0.0123 (15)	0.0122 (15)	0.0162 (17)
O4C	0.0247 (17)	0.0155 (16)	0.0165 (17)	−0.0005 (13)	0.0019 (14)	−0.0008 (14)
O5C	0.0135 (15)	0.0161 (16)	0.0123 (16)	0.0008 (12)	0.0009 (13)	0.0028 (13)
O6C	0.0273 (18)	0.0292 (19)	0.0194 (18)	0.0037 (15)	0.0073 (15)	0.0043 (15)
O7C	0.028 (2)	0.049 (2)	0.038 (2)	0.0109 (17)	0.0118 (18)	0.008 (2)
C1C	0.026 (3)	0.029 (3)	0.026 (3)	−0.001 (2)	0.012 (2)	−0.005 (2)
C2C	0.035 (3)	0.075 (5)	0.031 (3)	0.001 (3)	0.010 (3)	0.017 (3)
C3C	0.030 (4)	0.055 (7)	0.037 (5)	0.001 (4)	−0.004 (4)	0.008 (5)
C4C	0.025 (3)	0.054 (4)	0.028 (3)	0.001 (2)	0.006 (2)	0.005 (3)
C5C	0.022 (2)	0.019 (2)	0.020 (3)	−0.0016 (19)	0.000 (2)	−0.004 (2)
C6C	0.028 (3)	0.022 (3)	0.024 (3)	−0.004 (2)	0.003 (2)	−0.003 (2)
C7C	0.031 (3)	0.019 (3)	0.025 (3)	−0.001 (2)	0.008 (2)	0.002 (2)
C8C	0.023 (3)	0.021 (3)	0.019 (3)	−0.004 (2)	−0.003 (2)	0.006 (2)
C9C	0.022 (2)	0.021 (3)	0.017 (2)	0.0022 (19)	0.001 (2)	0.001 (2)
C10C	0.026 (3)	0.024 (3)	0.021 (3)	−0.005 (2)	0.002 (2)	−0.001 (2)
C11C	0.031 (3)	0.020 (3)	0.025 (3)	−0.006 (2)	0.001 (2)	−0.003 (2)
C12C	0.042 (3)	0.013 (2)	0.026 (3)	−0.001 (2)	0.003 (2)	−0.001 (2)
C13C	0.016 (2)	0.036 (3)	0.031 (3)	0.012 (2)	0.002 (2)	0.012 (2)
C14C	0.021 (3)	0.040 (3)	0.040 (3)	0.007 (2)	0.011 (2)	0.003 (3)
C15C	0.027 (3)	0.063 (4)	0.043 (4)	0.004 (3)	0.023 (3)	0.013 (3)
C16C	0.034 (3)	0.037 (3)	0.038 (3)	0.006 (2)	0.019 (3)	0.016 (3)
C17C	0.056 (4)	0.052 (4)	0.052 (4)	0.024 (3)	0.018 (3)	0.014 (3)
C18C	0.089 (6)	0.116 (7)	0.084 (6)	0.070 (6)	0.045 (5)	0.030 (6)
C19C	0.107 (11)	0.066 (9)	0.058 (5)	0.013 (8)	0.047 (6)	0.006 (5)
C20C	0.037 (3)	0.047 (4)	0.037 (3)	−0.002 (3)	0.018 (3)	0.010 (3)
C90C	0.030 (4)	0.055 (7)	0.037 (5)	0.001 (4)	−0.004 (4)	0.008 (5)
C91C	0.107 (11)	0.066 (9)	0.058 (5)	0.013 (8)	0.047 (6)	0.006 (5)
Cu1D	0.0202 (3)	0.0164 (3)	0.0218 (4)	0.0018 (3)	0.0038 (3)	−0.0009 (3)
Cu2D	0.0152 (3)	0.0177 (3)	0.0241 (4)	−0.0006 (3)	0.0024 (3)	−0.0016 (3)
Cu3D	0.0174 (3)	0.0232 (4)	0.0226 (4)	−0.0004 (3)	0.0063 (3)	0.0000 (3)
Cu4D	0.0164 (3)	0.0199 (4)	0.0214 (4)	0.0022 (3)	0.0039 (3)	0.0009 (3)
Cl1D	0.0182 (5)	0.0199 (6)	0.0355 (7)	0.0026 (4)	0.0000 (5)	−0.0035 (5)
Cl2D	0.0272 (6)	0.0199 (6)	0.0268 (7)	−0.0031 (5)	0.0077 (5)	0.0009 (5)
Cl3D	0.0340 (7)	0.0226 (6)	0.0204 (6)	0.0083 (5)	0.0029 (5)	−0.0011 (5)
Cl4D	0.0229 (6)	0.0233 (6)	0.0214 (6)	−0.0030 (4)	0.0046 (5)	−0.0009 (5)
Cl5D	0.0145 (5)	0.0283 (6)	0.0271 (6)	0.0025 (4)	0.0051 (5)	0.0030 (5)
Cl6D	0.0208 (6)	0.0212 (6)	0.0261 (6)	−0.0025 (4)	0.0040 (5)	0.0033 (5)
O1D	0.0272 (18)	0.0154 (17)	0.0285 (19)	0.0049 (13)	0.0027 (15)	−0.0008 (15)
O2D	0.0136 (16)	0.0212 (17)	0.0293 (19)	−0.0009 (13)	0.0029 (14)	−0.0070 (15)
O3D	0.0244 (18)	0.031 (2)	0.027 (2)	−0.0014 (14)	0.0100 (16)	0.0007 (16)
O4D	0.0192 (16)	0.0207 (17)	0.0250 (18)	0.0025 (13)	0.0088 (14)	0.0018 (15)
O5D	0.0128 (15)	0.0158 (16)	0.0229 (18)	−0.0006 (12)	0.0013 (13)	0.0009 (14)
C1D	0.034 (3)	0.031 (3)	0.046 (4)	0.004 (2)	0.017 (3)	−0.013 (3)
C2D	0.024 (6)	0.051 (6)	0.026 (5)	0.018 (5)	−0.016 (4)	−0.014 (4)
C3D	0.039 (3)	0.025 (3)	0.067 (5)	0.013 (2)	−0.010 (3)	−0.008 (3)
C4D	0.051 (4)	0.022 (3)	0.032 (3)	0.002 (2)	−0.003 (3)	0.002 (3)
C5D	0.023 (3)	0.019 (3)	0.034 (3)	0.002 (2)	0.002 (2)	−0.005 (2)
C6D	0.021 (3)	0.027 (3)	0.033 (3)	−0.004 (2)	0.003 (2)	−0.002 (2)
C7D	0.025 (3)	0.037 (3)	0.035 (3)	−0.011 (2)	0.005 (2)	−0.001 (3)
C8D	0.018 (2)	0.032 (3)	0.037 (3)	−0.001 (2)	0.011 (2)	−0.009 (3)
C9D	0.060 (4)	0.042 (4)	0.048 (4)	0.007 (3)	0.035 (3)	0.013 (3)
C10D	0.041 (4)	0.062 (4)	0.041 (4)	−0.006 (3)	0.025 (3)	0.007 (3)
C11D	0.043 (4)	0.056 (4)	0.063 (5)	0.002 (3)	0.033 (3)	−0.008 (4)
C12D	0.025 (5)	0.040 (5)	0.020 (5)	0.010 (3)	0.003 (4)	0.001 (3)
C13D	0.022 (3)	0.039 (3)	0.031 (3)	0.006 (2)	0.014 (2)	0.003 (3)
C14D	0.020 (3)	0.041 (3)	0.036 (3)	−0.006 (2)	0.007 (2)	0.011 (3)
C15D	0.029 (3)	0.029 (3)	0.036 (3)	0.005 (2)	0.003 (2)	0.011 (3)
C16D	0.016 (2)	0.023 (3)	0.035 (3)	0.0085 (19)	0.006 (2)	0.002 (2)
C90D	0.025 (5)	0.040 (5)	0.020 (5)	0.010 (3)	0.003 (4)	0.001 (3)
C91D	0.024 (6)	0.051 (6)	0.026 (5)	0.018 (5)	−0.016 (4)	−0.014 (4)
Cu1E	0.0173 (3)	0.0252 (4)	0.0198 (4)	0.0024 (3)	0.0055 (3)	0.0009 (3)
Cu2E	0.0182 (3)	0.0185 (3)	0.0178 (4)	0.0024 (3)	0.0023 (3)	0.0028 (3)
Cu3E	0.0197 (3)	0.0149 (3)	0.0219 (4)	0.0009 (3)	0.0018 (3)	−0.0014 (3)
Cu4E	0.0184 (3)	0.0187 (3)	0.0166 (4)	−0.0013 (3)	0.0044 (3)	−0.0012 (3)
Cl1E	0.0195 (5)	0.0262 (6)	0.0207 (6)	0.0012 (4)	0.0047 (5)	0.0041 (5)
Cl2E	0.0196 (6)	0.0236 (6)	0.0356 (7)	0.0028 (5)	0.0037 (5)	−0.0073 (5)
Cl3E	0.0171 (5)	0.0328 (7)	0.0236 (6)	−0.0029 (5)	0.0059 (5)	−0.0063 (5)
Cl4E	0.0185 (5)	0.0190 (6)	0.0238 (6)	−0.0006 (4)	0.0005 (5)	0.0009 (5)
Cl5E	0.0371 (7)	0.0196 (6)	0.0194 (6)	−0.0043 (5)	0.0048 (5)	0.0030 (5)
Cl6E	0.0224 (6)	0.0187 (6)	0.0221 (6)	0.0034 (4)	0.0055 (5)	0.0009 (5)
O1E	0.0270 (19)	0.035 (2)	0.022 (2)	0.0057 (16)	0.0108 (16)	0.0064 (16)
O2E	0.0191 (17)	0.0246 (18)	0.0197 (18)	0.0015 (13)	0.0003 (14)	0.0051 (15)
O3E	0.0218 (17)	0.0154 (17)	0.032 (2)	0.0009 (13)	0.0007 (15)	−0.0003 (15)
O4E	0.0203 (17)	0.0185 (17)	0.0221 (18)	−0.0039 (13)	0.0092 (14)	−0.0019 (14)
O5E	0.0153 (15)	0.0183 (16)	0.0164 (17)	0.0030 (12)	0.0027 (13)	0.0007 (14)
O6E	0.0270 (19)	0.041 (2)	0.032 (2)	0.0087 (16)	0.0124 (17)	0.0115 (18)
C1E	0.033 (3)	0.051 (4)	0.024 (3)	0.010 (3)	0.010 (2)	0.010 (3)
C2E	0.028 (3)	0.040 (3)	0.037 (3)	0.004 (2)	0.003 (3)	0.000 (3)
C3E	0.038 (3)	0.044 (4)	0.044 (4)	0.008 (3)	0.006 (3)	−0.007 (3)
C4E	0.028 (3)	0.056 (4)	0.034 (3)	0.008 (3)	0.011 (3)	−0.001 (3)
C5E	0.031 (3)	0.088 (5)	0.028 (3)	0.016 (3)	0.005 (3)	0.012 (3)
C6E	0.026 (3)	0.039 (3)	0.026 (3)	−0.008 (2)	−0.007 (2)	0.013 (3)
C7E	0.031 (3)	0.053 (4)	0.039 (4)	0.012 (3)	0.002 (3)	0.007 (3)
C8E	0.034 (3)	0.046 (4)	0.029 (3)	0.020 (3)	0.007 (3)	0.004 (3)
C9E	0.027 (3)	0.023 (3)	0.036 (3)	0.007 (2)	0.003 (2)	0.003 (2)
C10E	0.045 (4)	0.025 (3)	0.051 (4)	0.008 (3)	0.003 (3)	0.013 (3)
C11E	0.034 (3)	0.028 (3)	0.032 (3)	−0.009 (2)	0.002 (3)	0.005 (2)
C12E	0.022 (3)	0.024 (3)	0.043 (3)	−0.003 (2)	0.007 (2)	0.003 (3)
C13E	0.024 (3)	0.027 (3)	0.025 (3)	−0.004 (2)	0.011 (2)	−0.003 (2)
C14E	0.037 (3)	0.025 (3)	0.040 (3)	0.002 (2)	0.020 (3)	−0.007 (3)
C15E	0.039 (3)	0.029 (3)	0.031 (3)	−0.007 (2)	0.015 (3)	−0.012 (2)
C16E	0.026 (3)	0.029 (3)	0.023 (3)	−0.008 (2)	0.009 (2)	−0.006 (2)
O7E	0.063 (6)	0.061 (3)	0.032 (2)	0.026 (3)	0.016 (3)	0.002 (2)
C17E	0.052 (4)	0.049 (4)	0.054 (5)	0.018 (3)	0.019 (4)	0.006 (4)
C18E	0.084 (6)	0.068 (5)	0.064 (5)	0.028 (4)	0.013 (4)	−0.009 (4)
C19E	0.068 (5)	0.055 (5)	0.057 (5)	0.015 (4)	0.003 (4)	−0.013 (4)
C20E	0.028 (6)	0.052 (4)	0.038 (4)	0.007 (3)	0.006 (4)	−0.003 (3)
O90E	0.063 (6)	0.061 (3)	0.032 (2)	0.026 (3)	0.016 (3)	0.002 (2)
C90E	0.028 (6)	0.052 (4)	0.038 (4)	0.007 (3)	0.006 (4)	−0.003 (3)
C91E	0.068 (5)	0.055 (5)	0.057 (5)	0.015 (4)	0.003 (4)	−0.013 (4)
C92E	0.084 (6)	0.068 (5)	0.064 (5)	0.028 (4)	0.013 (4)	−0.009 (4)
C93E	0.052 (4)	0.049 (4)	0.054 (5)	0.018 (3)	0.019 (4)	0.006 (4)
Cu1F	0.0167 (3)	0.0190 (3)	0.0173 (4)	0.0028 (3)	0.0035 (3)	0.0031 (3)
Cu2F	0.0179 (3)	0.0147 (3)	0.0193 (4)	−0.0021 (3)	0.0038 (3)	−0.0003 (3)
Cu3F	0.0147 (3)	0.0258 (4)	0.0201 (4)	0.0030 (3)	0.0068 (3)	0.0040 (3)
Cu4F	0.0207 (3)	0.0144 (3)	0.0164 (4)	−0.0004 (3)	0.0043 (3)	−0.0004 (3)
Cl1F	0.0171 (5)	0.0225 (6)	0.0251 (6)	−0.0024 (4)	0.0017 (5)	0.0025 (5)
Cl2F	0.0192 (5)	0.0235 (6)	0.0162 (6)	0.0009 (4)	0.0061 (4)	0.0035 (5)
Cl3F	0.0308 (6)	0.0189 (6)	0.0210 (6)	0.0072 (5)	0.0031 (5)	0.0001 (5)
Cl4F	0.0223 (6)	0.0206 (6)	0.0326 (7)	0.0049 (4)	0.0101 (5)	−0.0015 (5)
Cl5F	0.0179 (6)	0.0332 (7)	0.0261 (6)	−0.0069 (5)	0.0034 (5)	−0.0033 (5)
Cl6F	0.0304 (6)	0.0175 (6)	0.0187 (6)	−0.0050 (4)	0.0083 (5)	0.0002 (5)
O1F	0.0237 (18)	0.0297 (19)	0.0174 (18)	0.0076 (15)	0.0046 (15)	0.0056 (16)
O2F	0.0241 (17)	0.0144 (16)	0.0200 (18)	−0.0047 (13)	0.0010 (14)	−0.0003 (14)
O3F	0.0161 (18)	0.024 (2)	0.021 (2)	0.0035 (15)	0.0040 (17)	0.0027 (17)
O4F	0.0289 (18)	0.0139 (16)	0.0182 (18)	0.0014 (13)	0.0014 (15)	0.0020 (14)
O5F	0.0164 (15)	0.0158 (16)	0.0125 (16)	−0.0008 (12)	0.0045 (13)	0.0013 (13)
O6F	0.072 (3)	0.107 (4)	0.025 (2)	−0.044 (3)	0.010 (2)	−0.002 (3)
O7F	0.027 (2)	0.044 (2)	0.033 (2)	0.0045 (16)	0.0075 (17)	0.0023 (18)
O90F	0.0161 (18)	0.024 (2)	0.021 (2)	0.0035 (15)	0.0040 (17)	0.0027 (17)
C1F	0.075 (5)	0.058 (4)	0.031 (3)	−0.041 (4)	0.017 (3)	−0.007 (3)
C2F	0.038 (4)	0.054 (6)	0.034 (4)	0.017 (4)	0.005 (3)	0.006 (4)
C3F	0.055 (4)	0.058 (4)	0.058 (5)	−0.011 (3)	0.004 (4)	−0.022 (4)
C4F	0.032 (3)	0.062 (5)	0.072 (5)	−0.001 (3)	0.010 (3)	0.018 (4)
C5F	0.031 (3)	0.021 (3)	0.024 (3)	−0.005 (2)	0.004 (2)	−0.005 (2)
C6F	0.028 (3)	0.021 (3)	0.033 (3)	−0.005 (2)	0.010 (2)	−0.005 (2)
C7F	0.030 (3)	0.016 (2)	0.034 (3)	−0.001 (2)	0.010 (2)	−0.001 (2)
C8F	0.031 (3)	0.026 (3)	0.023 (3)	−0.003 (2)	0.002 (2)	0.005 (2)
C9F	0.030 (3)	0.018 (2)	0.018 (3)	0.003 (2)	−0.002 (2)	0.000 (2)
C10F	0.039 (3)	0.024 (3)	0.025 (3)	0.000 (2)	0.003 (2)	−0.001 (2)
C11F	0.044 (3)	0.022 (3)	0.029 (3)	−0.005 (2)	0.000 (3)	0.000 (2)
C12F	0.046 (3)	0.010 (2)	0.030 (3)	0.002 (2)	0.004 (3)	0.001 (2)
C13F	0.024 (3)	0.035 (3)	0.032 (3)	0.011 (2)	0.009 (2)	0.015 (3)
C14F	0.025 (3)	0.038 (3)	0.044 (4)	0.007 (2)	0.009 (3)	0.006 (3)
C15F	0.019 (3)	0.042 (3)	0.033 (3)	0.000 (2)	0.012 (2)	0.005 (3)
C16F	0.026 (3)	0.037 (3)	0.040 (3)	0.005 (2)	0.013 (3)	0.016 (3)
C17F	0.036 (3)	0.047 (4)	0.034 (3)	0.000 (3)	0.006 (3)	0.000 (3)
C18F	0.025 (3)	0.043 (3)	0.044 (4)	0.002 (2)	0.007 (3)	0.009 (3)
C19F	0.040 (3)	0.042 (4)	0.042 (4)	−0.002 (3)	0.019 (3)	0.003 (3)
C20F	0.030 (3)	0.055 (4)	0.033 (3)	0.002 (3)	0.008 (3)	0.001 (3)
C90F	0.038 (4)	0.054 (6)	0.034 (4)	0.017 (4)	0.005 (3)	0.006 (4)
Cu1G	0.0194 (3)	0.0162 (3)	0.0260 (4)	0.0027 (3)	0.0052 (3)	−0.0010 (3)
Cu2G	0.0157 (3)	0.0184 (4)	0.0251 (4)	−0.0001 (3)	0.0038 (3)	−0.0020 (3)
Cu3G	0.0179 (3)	0.0219 (4)	0.0257 (4)	−0.0005 (3)	0.0077 (3)	−0.0008 (3)
Cu4G	0.0164 (3)	0.0189 (4)	0.0233 (4)	0.0031 (3)	0.0046 (3)	−0.0002 (3)
Cl1G	0.0185 (5)	0.0218 (6)	0.0330 (7)	0.0038 (4)	0.0021 (5)	−0.0057 (5)
Cl2G	0.0266 (6)	0.0190 (6)	0.0365 (7)	0.0002 (5)	0.0116 (5)	0.0019 (5)
Cl3G	0.0274 (6)	0.0243 (6)	0.0234 (6)	0.0063 (5)	0.0036 (5)	−0.0036 (5)
Cl4G	0.0240 (6)	0.0257 (6)	0.0219 (6)	−0.0038 (5)	0.0065 (5)	−0.0025 (5)
Cl5G	0.0162 (5)	0.0244 (6)	0.0297 (7)	0.0022 (4)	0.0058 (5)	0.0022 (5)
Cl6G	0.0212 (6)	0.0192 (6)	0.0259 (6)	−0.0022 (4)	0.0042 (5)	0.0012 (5)
O1G	0.0228 (17)	0.0175 (17)	0.031 (2)	0.0050 (13)	0.0068 (15)	−0.0031 (15)
O2G	0.0140 (16)	0.0218 (17)	0.0305 (19)	−0.0010 (13)	0.0009 (14)	−0.0082 (15)
O3G	0.0208 (17)	0.031 (2)	0.030 (2)	−0.0017 (14)	0.0111 (15)	−0.0018 (16)
O4G	0.0196 (16)	0.0204 (17)	0.0211 (18)	0.0043 (13)	0.0059 (14)	0.0012 (14)
O5G	0.0126 (15)	0.0174 (16)	0.0257 (18)	0.0005 (12)	0.0056 (14)	−0.0009 (14)
C1G	0.025 (3)	0.023 (3)	0.024 (3)	0.002 (2)	0.007 (2)	−0.006 (2)
C2G	0.022 (3)	0.029 (3)	0.035 (3)	0.002 (2)	0.008 (2)	−0.002 (2)
C3G	0.036 (3)	0.020 (3)	0.048 (4)	0.005 (2)	0.012 (3)	0.002 (3)
C4G	0.032 (3)	0.018 (3)	0.045 (3)	0.004 (2)	0.014 (3)	0.009 (2)
C5G	0.022 (3)	0.026 (3)	0.050 (4)	−0.002 (2)	0.007 (3)	−0.017 (3)
C6G	0.027 (4)	0.040 (6)	0.030 (7)	−0.011 (4)	0.005 (6)	−0.010 (6)
C7G	0.028 (4)	0.051 (7)	0.040 (7)	−0.018 (4)	0.011 (5)	−0.017 (5)
C8G	0.022 (3)	0.038 (3)	0.036 (3)	−0.005 (2)	0.013 (2)	−0.016 (3)
C9G	0.037 (3)	0.050 (4)	0.038 (4)	−0.009 (3)	0.019 (3)	0.007 (3)
C10G	0.066 (4)	0.046 (4)	0.035 (4)	−0.021 (3)	0.026 (3)	−0.006 (3)
C11G	0.053 (4)	0.055 (4)	0.059 (4)	−0.013 (3)	0.038 (4)	−0.013 (4)
C12G	0.032 (3)	0.040 (3)	0.046 (4)	0.002 (2)	0.024 (3)	−0.007 (3)
C13G	0.025 (3)	0.041 (3)	0.021 (3)	0.010 (2)	0.008 (2)	0.004 (2)
C14G	0.025 (3)	0.040 (3)	0.040 (3)	0.001 (2)	0.010 (3)	0.015 (3)
C15G	0.024 (3)	0.031 (3)	0.031 (3)	0.007 (2)	0.004 (2)	0.008 (2)
C16G	0.020 (2)	0.025 (3)	0.023 (3)	0.0041 (19)	0.003 (2)	0.001 (2)
C90G	0.027 (4)	0.040 (6)	0.030 (7)	−0.011 (4)	0.005 (6)	−0.010 (6)
C91G	0.028 (4)	0.051 (7)	0.040 (7)	−0.018 (4)	0.011 (5)	−0.017 (5)
Cu1H	0.0145 (3)	0.0212 (4)	0.0212 (4)	0.0003 (3)	0.0065 (3)	0.0029 (3)
Cu2H	0.0160 (3)	0.0180 (3)	0.0195 (4)	0.0017 (3)	0.0035 (3)	0.0032 (3)
Cu3H	0.0166 (3)	0.0143 (3)	0.0194 (4)	−0.0011 (3)	0.0055 (3)	0.0006 (3)
Cu4H	0.0195 (3)	0.0192 (4)	0.0177 (4)	−0.0036 (3)	0.0049 (3)	−0.0020 (3)
Cl1H	0.0186 (5)	0.0241 (6)	0.0208 (6)	−0.0007 (4)	0.0062 (5)	0.0056 (5)
Cl2H	0.0183 (5)	0.0196 (6)	0.0249 (6)	0.0018 (4)	0.0088 (5)	0.0008 (5)
Cl3H	0.0170 (5)	0.0385 (7)	0.0261 (7)	−0.0054 (5)	0.0041 (5)	−0.0085 (6)
Cl4H	0.0172 (5)	0.0216 (6)	0.0258 (6)	−0.0033 (4)	0.0002 (5)	0.0035 (5)
Cl5H	0.0348 (6)	0.0178 (6)	0.0187 (6)	−0.0078 (5)	0.0108 (5)	−0.0012 (5)
Cl6H	0.0246 (6)	0.0169 (6)	0.0255 (6)	0.0017 (4)	0.0070 (5)	−0.0009 (5)
O1H	0.0155 (17)	0.031 (2)	0.024 (2)	0.0021 (14)	0.0069 (15)	0.0046 (16)
O2H	0.0190 (17)	0.0288 (19)	0.0211 (18)	0.0070 (14)	0.0025 (14)	0.0034 (15)
O3H	0.0201 (17)	0.0141 (16)	0.0238 (18)	−0.0007 (12)	0.0087 (14)	−0.0018 (14)
O4H	0.0314 (19)	0.0221 (18)	0.0195 (18)	−0.0064 (14)	0.0110 (15)	−0.0030 (15)
O5H	0.0149 (15)	0.0162 (16)	0.0160 (16)	−0.0005 (12)	0.0042 (13)	0.0014 (13)
O6H	0.025 (2)	0.075 (3)	0.034 (2)	0.0207 (19)	0.0118 (18)	0.025 (2)
O7H	0.032 (2)	0.044 (2)	0.030 (2)	0.0070 (17)	0.0181 (17)	0.0028 (18)
C1H	0.025 (3)	0.054 (4)	0.029 (3)	0.004 (2)	0.008 (2)	0.014 (3)
C2H	0.033 (3)	0.061 (4)	0.031 (3)	0.008 (3)	0.006 (3)	0.010 (3)
C3H	0.025 (3)	0.056 (4)	0.065 (5)	0.009 (3)	0.011 (3)	0.034 (4)
C4H	0.025 (3)	0.076 (5)	0.045 (4)	0.018 (3)	0.015 (3)	0.014 (3)
C5H	0.031 (3)	0.052 (4)	0.027 (3)	0.007 (3)	0.002 (2)	0.002 (3)
C6H	0.034 (3)	0.052 (4)	0.039 (4)	0.001 (3)	−0.008 (3)	0.015 (3)
C7H	0.040 (4)	0.086 (6)	0.053 (4)	0.034 (4)	−0.011 (3)	−0.005 (4)
C8H	0.029 (4)	0.032 (5)	0.044 (4)	0.009 (3)	0.011 (3)	0.005 (4)
C9H	0.028 (3)	0.021 (3)	0.025 (3)	−0.001 (2)	0.011 (2)	−0.004 (2)
C10H	0.033 (3)	0.019 (3)	0.027 (3)	−0.005 (2)	0.010 (2)	−0.004 (2)
C11H	0.023 (3)	0.025 (3)	0.024 (3)	−0.007 (2)	0.004 (2)	−0.001 (2)
C12H	0.020 (2)	0.018 (2)	0.026 (3)	0.0007 (19)	0.011 (2)	0.001 (2)
C13H	0.037 (3)	0.029 (3)	0.031 (3)	−0.003 (2)	0.018 (3)	0.001 (2)
C14H	0.053 (4)	0.027 (3)	0.049 (4)	0.004 (3)	0.032 (3)	−0.002 (3)
C15H	0.062 (4)	0.020 (3)	0.030 (3)	−0.008 (3)	0.015 (3)	−0.005 (2)
C16H	0.036 (3)	0.026 (3)	0.033 (3)	−0.016 (2)	0.007 (3)	−0.007 (2)
C17H	0.041 (3)	0.045 (4)	0.033 (3)	0.016 (3)	0.018 (3)	0.008 (3)
C18H	0.034 (4)	0.099 (6)	0.072 (5)	0.028 (4)	0.033 (4)	0.046 (5)
C19H	0.052 (4)	0.095 (6)	0.079 (5)	0.040 (4)	0.044 (4)	0.061 (5)
C20H	0.026 (3)	0.048 (4)	0.027 (3)	0.006 (2)	0.006 (2)	0.006 (3)
C90H	0.029 (4)	0.032 (5)	0.044 (4)	0.009 (3)	0.011 (3)	0.005 (4)
Cu1I	0.0190 (3)	0.0182 (3)	0.0177 (4)	0.0015 (3)	0.0042 (3)	0.0018 (3)
Cu2I	0.0200 (3)	0.0140 (3)	0.0186 (4)	−0.0022 (3)	0.0045 (3)	0.0003 (3)
Cu3I	0.0165 (3)	0.0201 (4)	0.0198 (4)	0.0001 (3)	0.0068 (3)	−0.0002 (3)
Cu4I	0.0243 (4)	0.0148 (3)	0.0148 (4)	−0.0005 (3)	0.0057 (3)	−0.0014 (3)
Cl1I	0.0226 (5)	0.0183 (5)	0.0180 (6)	−0.0018 (4)	0.0077 (5)	0.0025 (5)
Cl2I	0.0203 (6)	0.0331 (7)	0.0219 (6)	−0.0076 (5)	0.0043 (5)	−0.0058 (5)
Cl3I	0.0211 (6)	0.0171 (6)	0.0307 (7)	0.0012 (4)	0.0088 (5)	−0.0025 (5)
Cl4I	0.0167 (5)	0.0185 (6)	0.0277 (6)	−0.0005 (4)	0.0026 (5)	0.0018 (5)
Cl5I	0.0402 (7)	0.0182 (6)	0.0171 (6)	−0.0065 (5)	0.0100 (5)	−0.0003 (5)
Cl6I	0.0326 (6)	0.0195 (6)	0.0216 (6)	0.0076 (5)	0.0036 (5)	−0.0030 (5)
O1I	0.0261 (19)	0.0270 (19)	0.0189 (19)	0.0056 (15)	0.0029 (16)	0.0032 (16)
O2I	0.0236 (17)	0.0144 (16)	0.0204 (18)	−0.0036 (13)	0.0015 (14)	0.0003 (14)
O3I	0.0175 (16)	0.0281 (19)	0.0240 (19)	0.0016 (13)	0.0090 (14)	0.0014 (15)
O4I	0.0343 (19)	0.0128 (16)	0.0150 (17)	0.0015 (13)	0.0047 (15)	0.0016 (14)
O5I	0.0189 (16)	0.0153 (16)	0.0159 (17)	−0.0010 (12)	0.0056 (13)	−0.0017 (13)
O6I	0.037 (2)	0.085 (3)	0.020 (2)	−0.016 (2)	0.0130 (18)	−0.004 (2)
O7I	0.0257 (19)	0.043 (2)	0.031 (2)	−0.0007 (16)	0.0065 (17)	0.0022 (18)
C1I	0.022 (3)	0.037 (3)	0.041 (3)	−0.009 (2)	0.013 (3)	−0.003 (3)
C2I	0.038 (3)	0.038 (3)	0.030 (3)	−0.006 (2)	0.011 (3)	−0.005 (3)
C3I	0.028 (3)	0.032 (3)	0.042 (3)	−0.002 (2)	0.006 (3)	0.000 (3)
C4I	0.026 (3)	0.041 (3)	0.040 (3)	−0.013 (2)	0.010 (3)	0.000 (3)
C5I	0.028 (3)	0.016 (2)	0.020 (3)	−0.005 (2)	−0.005 (2)	−0.003 (2)
C6I	0.029 (3)	0.021 (3)	0.020 (3)	−0.006 (2)	0.003 (2)	−0.002 (2)
C7I	0.024 (3)	0.023 (3)	0.033 (3)	0.003 (2)	0.002 (2)	0.002 (2)
C8I	0.028 (3)	0.020 (3)	0.023 (3)	−0.001 (2)	0.004 (2)	0.005 (2)
C9I	0.041 (3)	0.021 (3)	0.014 (3)	0.003 (2)	0.000 (2)	0.001 (2)
C10I	0.040 (3)	0.029 (3)	0.018 (3)	−0.009 (2)	−0.005 (2)	0.000 (2)
C11I	0.042 (3)	0.027 (3)	0.028 (3)	−0.009 (2)	0.003 (3)	−0.001 (2)
C12I	0.042 (3)	0.010 (2)	0.023 (3)	−0.001 (2)	0.006 (2)	0.000 (2)
C13I	0.021 (3)	0.027 (3)	0.034 (3)	0.001 (2)	0.007 (2)	0.003 (2)
C14I	0.033 (3)	0.039 (3)	0.049 (4)	0.011 (3)	0.016 (3)	0.008 (3)
C15I	0.048 (6)	0.044 (6)	0.041 (4)	0.020 (4)	0.020 (4)	0.000 (5)
C16I	0.033 (3)	0.067 (4)	0.027 (3)	0.003 (3)	0.014 (3)	−0.005 (3)
C17I	0.039 (4)	0.068 (5)	0.059 (5)	0.012 (3)	−0.011 (3)	−0.001 (4)
C18I	0.035 (3)	0.042 (4)	0.091 (6)	0.018 (3)	0.027 (4)	0.021 (4)
C19I	0.048 (4)	0.048 (4)	0.051 (4)	−0.007 (3)	0.026 (3)	−0.016 (3)
C20I	0.030 (3)	0.033 (3)	0.037 (3)	−0.002 (2)	0.009 (3)	0.009 (3)
C90I	0.048 (6)	0.044 (6)	0.041 (4)	0.020 (4)	0.020 (4)	0.000 (5)

Geometric parameters (Å, º)

Cu1A—O5A	1.892 (3)	C10E—C11E	1.525 (7)
Cu1A—O1A	1.955 (3)	C10E—H10I	0.9900
Cu1A—Cl2A	2.3726 (13)	C10E—H10J	0.9900
Cu1A—Cl1A	2.4015 (13)	C11E—C12E	1.515 (7)
Cu1A—Cl3A	2.4054 (13)	C11E—H11I	0.9900
Cu2A—O5A	1.891 (3)	C11E—H11J	0.9900
Cu2A—O2A	1.949 (3)	C12E—H12I	0.9900
Cu2A—Cl1A	2.3735 (13)	C12E—H12J	0.9900
Cu2A—Cl4A	2.4026 (13)	C13E—C14E	1.511 (7)
Cu2A—Cl6A	2.4231 (13)	C13E—H13I	0.9900
Cu3A—O5A	1.889 (3)	C13E—H13J	0.9900
Cu3A—O3A	1.951 (3)	C14E—C15E	1.510 (7)
Cu3A—Cl2A	2.3786 (13)	C14E—H14I	0.9900
Cu3A—Cl5A	2.3906 (13)	C14E—H14J	0.9900
Cu3A—Cl4A	2.3961 (13)	C15E—C16E	1.514 (7)
Cu4A—O5A	1.881 (3)	C15E—H15I	0.9900
Cu4A—O4A	1.950 (3)	C15E—H15J	0.9900
Cu4A—Cl5A	2.3874 (12)	C16E—H16I	0.9900
Cu4A—Cl6A	2.3878 (13)	C16E—H16J	0.9900
Cu4A—Cl3A	2.4486 (13)	O7E—C20E	1.437 (6)
O1A—C1A	1.450 (6)	O7E—C17E	1.448 (7)
O1A—C4A	1.461 (6)	C17E—C18E	1.505 (9)
O2A—C5A	1.465 (5)	C17E—H17I	0.9900
O2A—C8A	1.475 (5)	C17E—H17J	0.9900
O3A—C12A	1.367 (10)	C18E—C19E	1.516 (9)
O3A—C91A	1.44 (3)	C18E—H18I	0.9900
O3A—C9A	1.460 (6)	C18E—H18J	0.9900
O4A—C16A	1.464 (5)	C19E—C20E	1.501 (9)
O4A—C13A	1.465 (5)	C19E—H19I	0.9900
C1A—C2A	1.500 (7)	C19E—H19J	0.9900
C1A—H1A	0.9900	C20E—H20I	0.9900
C1A—H1B	0.9900	C20E—H20J	0.9900
C2A—C3A	1.490 (8)	O90E—C93E	1.432 (5)
C2A—H2A	0.9900	O90E—C90E	1.432 (5)
C2A—H2B	0.9900	C90E—C91E	1.482 (10)
C3A—C4A	1.517 (7)	C90E—H90I	0.9900
C3A—H3A	0.9900	C90E—H90J	0.9900
C3A—H3B	0.9900	C91E—C92E	1.510 (11)
C4A—H4A	0.9900	C91E—H91I	0.9900
C4A—H4B	0.9900	C91E—H91J	0.9900
C5A—C6A	1.514 (6)	C92E—C93E	1.515 (11)
C5A—H5A	0.9900	C92E—H92I	0.9900
C5A—H5B	0.9900	C92E—H92J	0.9900
C6A—C7A	1.519 (7)	C93E—H93I	0.9900
C6A—H6A	0.9900	C93E—H93J	0.9900
C6A—H6B	0.9900	Cu1F—O5F	1.881 (3)
C7A—C8A	1.522 (6)	Cu1F—O1F	1.918 (3)
C7A—H7A	0.9900	Cu1F—Cl3F	2.3805 (13)
C7A—H7B	0.9900	Cu1F—Cl2F	2.4123 (12)
C8A—H8A	0.9900	Cu1F—Cl1F	2.4344 (12)
C8A—H8B	0.9900	Cu2F—O5F	1.888 (3)
C9A—C10A	1.526 (7)	Cu2F—O2F	1.956 (3)
C9A—H9A	0.9900	Cu2F—Cl1F	2.3806 (13)
C9A—H9B	0.9900	Cu2F—Cl4F	2.4067 (13)
C10A—C11A	1.518 (10)	Cu2F—Cl6F	2.4103 (13)
C10A—C90A	1.524 (15)	Cu3F—O5F	1.885 (3)
C10A—H10A	0.9900	Cu3F—O90F	1.92 (2)
C10A—H10B	0.9900	Cu3F—O3F	1.970 (4)
C11A—C12A	1.513 (11)	Cu3F—Cl5F	2.3786 (13)
C11A—H11A	0.9900	Cu3F—Cl2F	2.3905 (13)
C11A—H11B	0.9900	Cu3F—Cl4F	2.3968 (13)
C12A—H12A	0.9900	Cu4F—O5F	1.898 (3)
C12A—H12B	0.9900	Cu4F—O4F	1.952 (3)
C13A—C14A	1.500 (7)	Cu4F—Cl3F	2.3622 (13)
C13A—H13A	0.9900	Cu4F—Cl6F	2.3802 (12)
C13A—H13B	0.9900	Cu4F—Cl5F	2.4271 (13)
C14A—C15A	1.533 (6)	O1F—H25F	0.834 (19)
C14A—H14A	0.9900	O1F—H26F	0.839 (19)
C14A—H14B	0.9900	O2F—C8F	1.471 (5)
C15A—C16A	1.522 (7)	O2F—C5F	1.471 (5)
C15A—H15A	0.9900	O3F—C16F	1.445 (6)
C15A—H15B	0.9900	O3F—C13F	1.462 (5)
C16A—H16A	0.9900	O4F—C9F	1.462 (5)
C16A—H16B	0.9900	O4F—C12F	1.468 (5)
C90A—C91A	1.527 (16)	O6F—C1F	1.419 (7)
C90A—H90A	0.9900	O6F—C4F	1.419 (7)
C90A—H90B	0.9900	O7F—C17F	1.435 (6)
C91A—H91A	0.9900	O7F—C20F	1.444 (6)
C91A—H91B	0.9900	O90F—C16F	1.434 (16)
Cu1B—O5B	1.889 (3)	O90F—C13F	1.457 (16)
Cu1B—O1B	1.919 (3)	C1F—C90F	1.484 (16)
Cu1B—Cl2B	2.3946 (13)	C1F—C2F	1.495 (8)
Cu1B—Cl1B	2.4009 (13)	C1F—H1K	0.9900
Cu1B—Cl3B	2.4400 (13)	C1F—H1L	0.9900
Cu2B—O5B	1.890 (3)	C2F—C3F	1.473 (9)
Cu2B—O2B	1.959 (3)	C2F—H2K	0.9900
Cu2B—Cl4B	2.3852 (12)	C2F—H2L	0.9900
Cu2B—Cl6B	2.4039 (13)	C3F—C4F	1.481 (9)
Cu2B—Cl1B	2.4152 (12)	C3F—C90F	1.514 (16)
Cu3B—O5B	1.889 (3)	C3F—H3K	0.9900
Cu3B—O3B	1.951 (3)	C3F—H3L	0.9900
Cu3B—Cl2B	2.3749 (12)	C4F—H4K	0.9900
Cu3B—Cl5B	2.3904 (13)	C4F—H4L	0.9900
Cu3B—Cl4B	2.4285 (13)	C5F—C6F	1.492 (7)
Cu4B—O5B	1.891 (3)	C5F—H5K	0.9900
Cu4B—O4B	1.951 (3)	C5F—H5L	0.9900
Cu4B—Cl3B	2.3546 (12)	C6F—C7F	1.535 (7)
Cu4B—Cl5B	2.4137 (12)	C6F—H6K	0.9900
Cu4B—Cl6B	2.4170 (13)	C6F—H6L	0.9900
O1B—H25B	0.843 (19)	C7F—C8F	1.517 (6)
O1B—H26B	0.843 (19)	C7F—H7K	0.9900
O2B—C8B	1.450 (6)	C7F—H7L	0.9900
O2B—C5B	1.457 (6)	C8F—H8K	0.9900
O3B—C9B	1.456 (5)	C8F—H8L	0.9900
O3B—C12B	1.468 (5)	C9F—C10F	1.501 (6)
O4B—C13B	1.476 (5)	C9F—H9K	0.9900
O4B—C16B	1.477 (5)	C9F—H9L	0.9900
O6B—C4B	1.420 (6)	C10F—C11F	1.510 (7)
O6B—C1B	1.441 (6)	C10F—H10K	0.9900
O7B—C20B	1.443 (6)	C10F—H10L	0.9900
O7B—C17B	1.452 (6)	C11F—C12F	1.515 (7)
C1B—C2B	1.502 (7)	C11F—H11K	0.9900
C1B—H1C	0.9900	C11F—H11L	0.9900
C1B—H1D	0.9900	C12F—H12K	0.9900
C2B—C3B	1.502 (7)	C12F—H12L	0.9900
C2B—H2C	0.9900	C13F—C14F	1.490 (7)
C2B—H2D	0.9900	C13F—H13K	0.9900
C3B—C4B	1.504 (8)	C13F—H13L	0.9900
C3B—H3C	0.9900	C14F—C15F	1.508 (7)
C3B—H3D	0.9900	C14F—H14K	0.9900
C4B—H4C	0.9900	C14F—H14L	0.9900
C4B—H4D	0.9900	C15F—C16F	1.511 (7)
C5B—C6B	1.516 (7)	C15F—H15K	0.9900
C5B—H5C	0.9900	C15F—H15L	0.9900
C5B—H5D	0.9900	C16F—H16K	0.9900
C6B—C7B	1.545 (8)	C16F—H16L	0.9900
C6B—H6C	0.9900	C17F—C18F	1.515 (7)
C6B—H6D	0.9900	C17F—H17K	0.9900
C7B—C8B	1.507 (7)	C17F—H17L	0.9900
C7B—H7C	0.9900	C18F—C19F	1.541 (8)
C7B—H7D	0.9900	C18F—H18K	0.9900
C8B—H8C	0.9900	C18F—H18L	0.9900
C8B—H8D	0.9900	C19F—C20F	1.508 (7)
C9B—C10B	1.507 (6)	C19F—H19K	0.9900
C9B—H9C	0.9900	C19F—H19L	0.9900
C9B—H9D	0.9900	C20F—H20K	0.9900
C10B—C11B	1.515 (6)	C20F—H20L	0.9900
C10B—H10C	0.9900	C90F—H90K	0.9900
C10B—H10D	0.9900	C90F—H90L	0.9900
C11B—C12B	1.517 (6)	Cu1G—O5G	1.885 (3)
C11B—H11C	0.9900	Cu1G—O1G	1.936 (3)
C11B—H11D	0.9900	Cu1G—Cl2G	2.3763 (13)
C12B—H12C	0.9900	Cu1G—Cl1G	2.4073 (13)
C12B—H12D	0.9900	Cu1G—Cl3G	2.4167 (14)
C13B—C14B	1.507 (6)	Cu2G—O5G	1.894 (3)
C13B—H13C	0.9900	Cu2G—O2G	1.952 (3)
C13B—H13D	0.9900	Cu2G—Cl1G	2.3839 (13)
C14B—C15B	1.522 (7)	Cu2G—Cl6G	2.4052 (13)
C14B—H14C	0.9900	Cu2G—Cl4G	2.4254 (13)
C14B—H14D	0.9900	Cu3G—O5G	1.886 (3)
C15B—C16B	1.510 (7)	Cu3G—O3G	1.956 (3)
C15B—H15C	0.9900	Cu3G—Cl2G	2.3897 (13)
C15B—H15D	0.9900	Cu3G—Cl4G	2.3968 (13)
C16B—H16C	0.9900	Cu3G—Cl5G	2.4090 (13)
C16B—H16D	0.9900	Cu4G—O5G	1.886 (3)
C17B—C18B	1.509 (7)	Cu4G—O4G	1.954 (3)
C17B—H17C	0.9900	Cu4G—Cl5G	2.3848 (13)
C17B—H17D	0.9900	Cu4G—Cl3G	2.3886 (13)
C18B—C90B	1.479 (11)	Cu4G—Cl6G	2.4312 (13)
C18B—C19B	1.500 (9)	O1G—C4G	1.457 (6)
C18B—H18C	0.9900	O1G—C1G	1.473 (6)
C18B—H18D	0.9900	O2G—C5G	1.455 (6)
C19B—C20B	1.474 (9)	O2G—C8G	1.463 (5)
C19B—H19C	0.9900	O3G—C12G	1.448 (6)
C19B—H19D	0.9900	O3G—C9G	1.472 (6)
C20B—C90B	1.446 (11)	O4G—C16G	1.464 (5)
C20B—H20C	0.9900	O4G—C13G	1.472 (6)
C20B—H20D	0.9900	C1G—C2G	1.505 (6)
C90B—H90C	0.9900	C1G—H1M	0.9900
C90B—H90D	0.9900	C1G—H1N	0.9900
Cu1C—O5C	1.881 (3)	C2G—C3G	1.527 (7)
Cu1C—O1C	1.917 (3)	C2G—H2M	0.9900
Cu1C—Cl2C	2.4002 (12)	C2G—H2N	0.9900
Cu1C—Cl3C	2.4004 (13)	C3G—C4G	1.506 (7)
Cu1C—Cl1C	2.4356 (12)	C3G—H3M	0.9900
Cu2C—O5C	1.892 (3)	C3G—H3N	0.9900
Cu2C—O2C	1.954 (3)	C4G—H4M	0.9900
Cu2C—Cl1C	2.3660 (12)	C4G—H4N	0.9900
Cu2C—Cl4C	2.4020 (12)	C5G—C90G	1.53 (3)
Cu2C—Cl6C	2.4100 (13)	C5G—C6G	1.554 (12)
Cu3C—O5C	1.882 (3)	C5G—H5M	0.9900
Cu3C—O3C	1.956 (3)	C5G—H5N	0.9900
Cu3C—Cl5C	2.3635 (13)	C6G—C7G	1.495 (14)
Cu3C—Cl2C	2.3879 (13)	C6G—H6M	0.9900
Cu3C—Cl4C	2.4091 (13)	C6G—H6N	0.9900
Cu4C—O5C	1.904 (3)	C7G—C8G	1.512 (10)
Cu4C—O4C	1.960 (3)	C7G—H7M	0.9900
Cu4C—Cl3C	2.3525 (12)	C7G—H7N	0.9900
Cu4C—Cl6C	2.4022 (12)	C8G—C91G	1.52 (2)
Cu4C—Cl5C	2.4054 (12)	C8G—H8M	0.9900
O1C—H25C	0.826 (19)	C8G—H8N	0.9900
O1C—H26C	0.830 (19)	C9G—C10G	1.531 (8)
O2C—C5C	1.467 (5)	C9G—H9M	0.9900
O2C—C8C	1.476 (5)	C9G—H9N	0.9900
O3C—C16C	1.428 (6)	C10G—C11G	1.515 (9)
O3C—C13C	1.466 (5)	C10G—H10M	0.9900
O4C—C9C	1.451 (5)	C10G—H10N	0.9900
O4C—C12C	1.476 (5)	C11G—C12G	1.505 (8)
O6C—C1C	1.438 (6)	C11G—H11M	0.9900
O6C—C4C	1.446 (6)	C11G—H11N	0.9900
O7C—C17C	1.399 (6)	C12G—H12M	0.9900
O7C—C20C	1.438 (6)	C12G—H12N	0.9900
C1C—C2C	1.511 (7)	C13G—C14G	1.502 (7)
C1C—H1E	0.9900	C13G—H13M	0.9900
C1C—H1F	0.9900	C13G—H13N	0.9900
C2C—C90C	1.492 (16)	C14G—C15G	1.533 (7)
C2C—C3C	1.495 (9)	C14G—H14M	0.9900
C2C—H2E	0.9900	C14G—H14N	0.9900
C2C—H2F	0.9900	C15G—C16G	1.517 (7)
C3C—C4C	1.507 (9)	C15G—H15M	0.9900
C3C—H3E	0.9900	C15G—H15N	0.9900
C3C—H3F	0.9900	C16G—H16M	0.9900
C4C—C90C	1.500 (16)	C16G—H16N	0.9900
C4C—H4E	0.9900	C90G—C91G	1.48 (4)
C4C—H4F	0.9900	C90G—H90M	0.9900
C5C—C6C	1.515 (6)	C90G—H90N	0.9900
C5C—H5E	0.9900	C91G—H91M	0.9900
C5C—H5F	0.9900	C91G—H91N	0.9900
C6C—C7C	1.525 (7)	Cu1H—O5H	1.882 (3)
C6C—H6E	0.9900	Cu1H—O1H	1.931 (3)
C6C—H6F	0.9900	Cu1H—Cl2H	2.3882 (13)
C7C—C8C	1.519 (6)	Cu1H—Cl1H	2.4053 (13)
C7C—H7E	0.9900	Cu1H—Cl3H	2.4526 (13)
C7C—H7F	0.9900	Cu2H—O5H	1.892 (3)
C8C—H8E	0.9900	Cu2H—O2H	1.960 (3)
C8C—H8F	0.9900	Cu2H—Cl4H	2.3785 (12)
C9C—C10C	1.505 (6)	Cu2H—Cl6H	2.3952 (13)
C9C—H9E	0.9900	Cu2H—Cl1H	2.4104 (12)
C9C—H9F	0.9900	Cu3H—O5H	1.893 (3)
C10C—C11C	1.520 (7)	Cu3H—O3H	1.950 (3)
C10C—H10E	0.9900	Cu3H—Cl2H	2.3692 (12)
C10C—H10F	0.9900	Cu3H—Cl5H	2.3841 (13)
C11C—C12C	1.520 (7)	Cu3H—Cl4H	2.4335 (13)
C11C—H11E	0.9900	Cu4H—O5H	1.890 (3)
C11C—H11F	0.9900	Cu4H—O4H	1.962 (3)
C12C—H12E	0.9900	Cu4H—Cl3H	2.3581 (13)
C12C—H12F	0.9900	Cu4H—Cl5H	2.4087 (12)
C13C—C14C	1.513 (7)	Cu4H—Cl6H	2.4135 (13)
C13C—H13E	0.9900	O1H—H25H	0.833 (19)
C13C—H13F	0.9900	O1H—H26H	0.832 (19)
C14C—C15C	1.487 (7)	O2H—C90H	1.437 (16)
C14C—H14E	0.9900	O2H—C5H	1.451 (6)
C14C—H14F	0.9900	O2H—C8H	1.459 (7)
C15C—C16C	1.499 (7)	O3H—C12H	1.466 (5)
C15C—H15E	0.9900	O3H—C9H	1.473 (5)
C15C—H15F	0.9900	O4H—C13H	1.467 (6)
C16C—H16E	0.9900	O4H—C16H	1.470 (5)
C16C—H16F	0.9900	O6H—C4H	1.440 (6)
C17C—C18C	1.509 (9)	O6H—C1H	1.447 (6)
C17C—H17E	0.9900	O7H—C20H	1.444 (6)
C17C—H17F	0.9900	O7H—C17H	1.447 (6)
C18C—C91C	1.473 (17)	C1H—C2H	1.494 (7)
C18C—C19C	1.474 (11)	C1H—H1O	0.9900
C18C—H18E	0.9900	C1H—H1P	0.9900
C18C—H18F	0.9900	C2H—C3H	1.492 (8)
C19C—C20C	1.489 (10)	C2H—H2O	0.9900
C19C—H19E	0.9900	C2H—H2P	0.9900
C19C—H19F	0.9900	C3H—C4H	1.480 (8)
C20C—C91C	1.482 (17)	C3H—H3O	0.9900
C20C—H20E	0.9900	C3H—H3P	0.9900
C20C—H20F	0.9900	C4H—H4O	0.9900
C90C—H90E	0.9900	C4H—H4P	0.9900
C90C—H90F	0.9900	C5H—C6H	1.500 (7)
C91C—H91E	0.9900	C5H—H5O	0.9900
C91C—H91F	0.9900	C5H—H5P	0.9900
Cu1D—O5D	1.890 (3)	C6H—C7H	1.509 (9)
Cu1D—O1D	1.954 (3)	C6H—H6O	0.9900
Cu1D—Cl2D	2.3882 (13)	C6H—H6P	0.9900
Cu1D—Cl1D	2.3920 (13)	C7H—C90H	1.510 (17)
Cu1D—Cl3D	2.4050 (13)	C7H—C8H	1.522 (9)
Cu2D—O5D	1.892 (3)	C7H—H7O	0.9900
Cu2D—O2D	1.959 (3)	C7H—H7P	0.9900
Cu2D—Cl1D	2.3826 (13)	C8H—H8O	0.9900
Cu2D—Cl6D	2.4038 (13)	C8H—H8P	0.9900
Cu2D—Cl4D	2.4389 (13)	C9H—C10H	1.507 (6)
Cu3D—O5D	1.892 (3)	C9H—H9O	0.9900
Cu3D—O3D	1.961 (3)	C9H—H9P	0.9900
Cu3D—Cl5D	2.3772 (13)	C10H—C11H	1.521 (7)
Cu3D—Cl4D	2.3921 (13)	C10H—H10O	0.9900
Cu3D—Cl2D	2.4114 (13)	C10H—H10P	0.9900
Cu4D—O5D	1.889 (3)	C11H—C12H	1.507 (6)
Cu4D—O4D	1.961 (3)	C11H—H11O	0.9900
Cu4D—Cl3D	2.3753 (13)	C11H—H11P	0.9900
Cu4D—Cl5D	2.3777 (12)	C12H—H12O	0.9900
Cu4D—Cl6D	2.4318 (13)	C12H—H12P	0.9900
O1D—C4D	1.460 (6)	C13H—C14H	1.503 (7)
O1D—C1D	1.470 (6)	C13H—H13O	0.9900
O2D—C8D	1.465 (5)	C13H—H13P	0.9900
O2D—C5D	1.469 (5)	C14H—C15H	1.515 (8)
O3D—C90D	1.428 (14)	C14H—H14O	0.9900
O3D—C9D	1.454 (6)	C14H—H14P	0.9900
O3D—C12D	1.469 (7)	C15H—C16H	1.501 (7)
O4D—C13D	1.467 (5)	C15H—H15O	0.9900
O4D—C16D	1.467 (5)	C15H—H15P	0.9900
C1D—C2D	1.494 (9)	C16H—H16O	0.9900
C1D—C91D	1.496 (12)	C16H—H16P	0.9900
C1D—H1G	0.9900	C17H—C18H	1.475 (8)
C1D—H1H	0.9900	C17H—H17O	0.9900
C2D—C3D	1.547 (10)	C17H—H17P	0.9900
C2D—H2G	0.9900	C18H—C19H	1.405 (8)
C2D—H2H	0.9900	C18H—H18O	0.9900
C3D—C91D	1.461 (12)	C18H—H18P	0.9900
C3D—C4D	1.512 (8)	C19H—C20H	1.490 (7)
C3D—H3G	0.9900	C19H—H19O	0.9900
C3D—H3H	0.9900	C19H—H19P	0.9900
C4D—H4G	0.9900	C20H—H20O	0.9900
C4D—H4H	0.9900	C20H—H20P	0.9900
C5D—C6D	1.522 (6)	C90H—H90O	0.9900
C5D—H5G	0.9900	C90H—H90P	0.9900
C5D—H5H	0.9900	Cu1I—O5I	1.884 (3)
C6D—C7D	1.510 (7)	Cu1I—O1I	1.927 (3)
C6D—H6G	0.9900	Cu1I—Cl6I	2.4059 (13)
C6D—H6H	0.9900	Cu1I—Cl1I	2.4075 (12)
C7D—C8D	1.517 (7)	Cu1I—Cl4I	2.4152 (12)
C7D—H7G	0.9900	Cu2I—O5I	1.891 (3)
C7D—H7H	0.9900	Cu2I—O2I	1.945 (3)
C8D—H8G	0.9900	Cu2I—Cl4I	2.3786 (13)
C8D—H8H	0.9900	Cu2I—Cl5I	2.3965 (13)
C9D—C10D	1.523 (7)	Cu2I—Cl3I	2.4241 (13)
C9D—H9G	0.9900	Cu3I—O5I	1.888 (3)
C9D—H9H	0.9900	Cu3I—O3I	1.968 (3)
C10D—C11D	1.501 (8)	Cu3I—Cl2I	2.3739 (13)
C10D—H10G	0.9900	Cu3I—Cl1I	2.3896 (13)
C10D—H10H	0.9900	Cu3I—Cl3I	2.4086 (13)
C11D—C90D	1.456 (15)	Cu4I—O5I	1.892 (3)
C11D—C12D	1.495 (9)	Cu4I—O4I	1.947 (3)
C11D—H11G	0.9900	Cu4I—Cl6I	2.3575 (13)
C11D—H11H	0.9900	Cu4I—Cl5I	2.4137 (13)
C12D—H12G	0.9900	Cu4I—Cl2I	2.4143 (13)
C12D—H12H	0.9900	O1I—H25I	0.840 (19)
C13D—C14D	1.511 (7)	O1I—H26I	0.844 (19)
C13D—H13G	0.9900	O2I—C8I	1.469 (5)
C13D—H13H	0.9900	O2I—C5I	1.472 (5)
C14D—C15D	1.531 (7)	O3I—C13I	1.455 (6)
C14D—H14G	0.9900	O3I—C16I	1.460 (6)
C14D—H14H	0.9900	O4I—C9I	1.469 (5)
C15D—C16D	1.509 (7)	O4I—C12I	1.480 (5)
C15D—H15G	0.9900	O6I—C4I	1.427 (6)
C15D—H15H	0.9900	O6I—C1I	1.439 (6)
C16D—H16G	0.9900	O7I—C17I	1.416 (7)
C16D—H16H	0.9900	O7I—C20I	1.439 (6)
C90D—H90G	0.9900	C1I—C2I	1.500 (7)
C90D—H90H	0.9900	C1I—H1Q	0.9900
C91D—H91G	0.9900	C1I—H1R	0.9900
C91D—H91H	0.9900	C2I—C3I	1.524 (7)
Cu1E—O5E	1.895 (3)	C2I—H2Q	0.9900
Cu1E—O1E	1.935 (3)	C2I—H2R	0.9900
Cu1E—Cl2E	2.3889 (13)	C3I—C4I	1.500 (7)
Cu1E—Cl3E	2.3963 (13)	C3I—H3Q	0.9900
Cu1E—Cl1E	2.4278 (13)	C3I—H3R	0.9900
Cu2E—O5E	1.889 (3)	C4I—H4Q	0.9900
Cu2E—O2E	1.961 (3)	C4I—H4R	0.9900
Cu2E—Cl1E	2.3950 (13)	C5I—C6I	1.498 (6)
Cu2E—Cl4E	2.4010 (12)	C5I—H5Q	0.9900
Cu2E—Cl6E	2.4071 (13)	C5I—H5R	0.9900
Cu3E—O5E	1.887 (3)	C6I—C7I	1.521 (7)
Cu3E—O3E	1.935 (3)	C6I—H6Q	0.9900
Cu3E—Cl4E	2.3838 (12)	C6I—H6R	0.9900
Cu3E—Cl2E	2.4064 (13)	C7I—C8I	1.520 (7)
Cu3E—Cl5E	2.4186 (13)	C7I—H7Q	0.9900
Cu4E—O5E	1.892 (3)	C7I—H7R	0.9900
Cu4E—O4E	1.951 (3)	C8I—H8Q	0.9900
Cu4E—Cl3E	2.3826 (12)	C8I—H8R	0.9900
Cu4E—Cl6E	2.4088 (12)	C9I—C10I	1.499 (7)
Cu4E—Cl5E	2.4091 (13)	C9I—H9I1	0.9900
O1E—H25E	0.87 (4)	C9I—H9I2	0.9900
O1E—H26E	0.844 (14)	C10I—C11I	1.521 (7)
O2E—C8E	1.442 (6)	C10I—H10Q	0.9900
O2E—C5E	1.458 (6)	C10I—H10R	0.9900
O3E—C12E	1.456 (6)	C11I—C12I	1.509 (7)
O3E—C9E	1.461 (5)	C11I—H11Q	0.9900
O4E—C13E	1.464 (5)	C11I—H11R	0.9900
O4E—C16E	1.481 (5)	C12I—H12Q	0.9900
O6E—C4E	1.442 (5)	C12I—H12R	0.9900
O6E—C1E	1.450 (5)	C13I—C14I	1.507 (7)
C1E—C2E	1.505 (7)	C13I—H13Q	0.9900
C1E—H1I	0.9900	C13I—H13R	0.9900
C1E—H1J	0.9900	C14I—C90I	1.489 (14)
C2E—C3E	1.514 (7)	C14I—C15I	1.546 (9)
C2E—H2I	0.9900	C14I—H14Q	0.9900
C2E—H2J	0.9900	C14I—H14R	0.9900
C3E—C4E	1.518 (7)	C15I—C16I	1.464 (8)
C3E—H3I	0.9900	C15I—H15Q	0.9900
C3E—H3J	0.9900	C15I—H15R	0.9900
C4E—H4I	0.9900	C16I—C90I	1.477 (14)
C4E—H4J	0.9900	C16I—H16Q	0.9900
C5E—C6E	1.522 (7)	C16I—H16R	0.9900
C5E—H5I	0.9900	C17I—C18I	1.482 (9)
C5E—H5J	0.9900	C17I—H17Q	0.9900
C6E—C7E	1.535 (8)	C17I—H17R	0.9900
C6E—H6I	0.9900	C18I—C19I	1.542 (9)
C6E—H6J	0.9900	C18I—H18Q	0.9900
C7E—C8E	1.494 (7)	C18I—H18R	0.9900
C7E—H7I	0.9900	C19I—C20I	1.509 (8)
C7E—H7J	0.9900	C19I—H19Q	0.9900
C8E—H8I	0.9900	C19I—H19R	0.9900
C8E—H8J	0.9900	C20I—H20Q	0.9900
C9E—C10E	1.511 (7)	C20I—H20R	0.9900
C9E—H9I	0.9900	C90I—H90Q	0.9900
C9E—H9J	0.9900	C90I—H90R	0.9900
Cl5A—Cu4A—O5A—Cu3A	5.09 (13)	O2E—C5E—C6E—C7E	−18.1 (6)
Cl6A—Cu4A—O5A—Cu3A	−119.49 (13)	C5E—C6E—C7E—C8E	−5.7 (6)
Cl3A—Cu4A—O5A—Cu3A	119.00 (13)	C5E—O2E—C8E—C7E	−40.8 (6)
Cl5A—Cu4A—O5A—Cu2A	126.03 (14)	Cu2E—O2E—C8E—C7E	179.4 (3)
Cl6A—Cu4A—O5A—Cu2A	1.46 (13)	C6E—C7E—C8E—O2E	28.0 (6)
Cl3A—Cu4A—O5A—Cu2A	−120.05 (13)	C12E—O3E—C9E—C10E	−4.5 (6)
Cl5A—Cu4A—O5A—Cu1A	−113.85 (13)	Cu3E—O3E—C9E—C10E	145.6 (4)
Cl6A—Cu4A—O5A—Cu1A	121.57 (13)	O3E—C9E—C10E—C11E	26.5 (6)
Cl3A—Cu4A—O5A—Cu1A	0.06 (12)	C9E—C10E—C11E—C12E	−37.6 (6)
Cl2A—Cu3A—O5A—Cu4A	−119.12 (14)	C9E—O3E—C12E—C11E	−19.5 (5)
Cl5A—Cu3A—O5A—Cu4A	−5.08 (13)	Cu3E—O3E—C12E—C11E	−169.4 (3)
Cl4A—Cu3A—O5A—Cu4A	118.56 (14)	C10E—C11E—C12E—O3E	35.1 (6)
Cl2A—Cu3A—O5A—Cu2A	120.73 (14)	C16E—O4E—C13E—C14E	9.3 (5)
Cl5A—Cu3A—O5A—Cu2A	−125.23 (14)	Cu4E—O4E—C13E—C14E	−128.7 (3)
Cl4A—Cu3A—O5A—Cu2A	−1.58 (13)	O4E—C13E—C14E—C15E	−31.0 (5)
Cl2A—Cu3A—O5A—Cu1A	0.09 (12)	C13E—C14E—C15E—C16E	40.6 (5)
Cl5A—Cu3A—O5A—Cu1A	114.13 (13)	C13E—O4E—C16E—C15E	16.1 (5)
Cl4A—Cu3A—O5A—Cu1A	−122.22 (13)	Cu4E—O4E—C16E—C15E	154.7 (3)
Cl1A—Cu2A—O5A—Cu4A	112.59 (14)	C14E—C15E—C16E—O4E	−34.8 (5)
Cl4A—Cu2A—O5A—Cu4A	−118.65 (14)	C20E—O7E—C17E—C18E	27.0 (12)
Cl6A—Cu2A—O5A—Cu4A	−1.44 (13)	O7E—C17E—C18E—C19E	−36.1 (11)
Cl1A—Cu2A—O5A—Cu3A	−127.19 (14)	C17E—C18E—C19E—C20E	31.8 (12)
Cl4A—Cu2A—O5A—Cu3A	1.58 (12)	C17E—O7E—C20E—C19E	−6.6 (13)
Cl6A—Cu2A—O5A—Cu3A	118.79 (14)	C18E—C19E—C20E—O7E	−16.3 (13)
Cl1A—Cu2A—O5A—Cu1A	−7.16 (13)	C93E—O90E—C90E—C91E	0 (4)
Cl4A—Cu2A—O5A—Cu1A	121.60 (14)	O90E—C90E—C91E—C92E	17 (4)
Cl6A—Cu2A—O5A—Cu1A	−121.19 (14)	C90E—C91E—C92E—C93E	−26 (3)
Cl2A—Cu1A—O5A—Cu4A	119.16 (13)	C90E—O90E—C93E—C92E	−16 (4)
Cl1A—Cu1A—O5A—Cu4A	−112.62 (13)	C91E—C92E—C93E—O90E	26 (3)
Cl3A—Cu1A—O5A—Cu4A	−0.06 (12)	Cl3F—Cu1F—O5F—Cu3F	−117.93 (13)
Cl2A—Cu1A—O5A—Cu3A	−0.09 (12)	Cl2F—Cu1F—O5F—Cu3F	1.79 (12)
Cl1A—Cu1A—O5A—Cu3A	128.13 (14)	Cl1F—Cu1F—O5F—Cu3F	121.48 (13)
Cl3A—Cu1A—O5A—Cu3A	−119.32 (13)	Cl3F—Cu1F—O5F—Cu2F	121.44 (14)
Cl2A—Cu1A—O5A—Cu2A	−121.14 (14)	Cl2F—Cu1F—O5F—Cu2F	−118.85 (14)
Cl1A—Cu1A—O5A—Cu2A	7.09 (13)	Cl1F—Cu1F—O5F—Cu2F	0.84 (12)
Cl3A—Cu1A—O5A—Cu2A	119.64 (14)	Cl3F—Cu1F—O5F—Cu4F	1.15 (12)
C4A—O1A—C1A—C2A	21.8 (6)	Cl2F—Cu1F—O5F—Cu4F	120.86 (13)
Cu1A—O1A—C1A—C2A	173.0 (4)	Cl1F—Cu1F—O5F—Cu4F	−119.44 (13)
O1A—C1A—C2A—C3A	1.5 (7)	O90F—Cu3F—O5F—Cu1F	114.8 (19)
C1A—C2A—C3A—C4A	−22.8 (7)	Cl5F—Cu3F—O5F—Cu1F	115.40 (13)
C1A—O1A—C4A—C3A	−35.9 (6)	Cl2F—Cu3F—O5F—Cu1F	−1.80 (12)
Cu1A—O1A—C4A—C3A	173.4 (3)	Cl4F—Cu3F—O5F—Cu1F	−119.26 (13)
C2A—C3A—C4A—O1A	35.5 (6)	O90F—Cu3F—O5F—Cu2F	−123.4 (19)
C8A—O2A—C5A—C6A	24.9 (5)	Cl5F—Cu3F—O5F—Cu2F	−122.74 (13)
Cu2A—O2A—C5A—C6A	168.1 (3)	Cl2F—Cu3F—O5F—Cu2F	120.06 (13)
O2A—C5A—C6A—C7A	−39.1 (5)	Cl4F—Cu3F—O5F—Cu2F	2.60 (12)
C5A—C6A—C7A—C8A	39.0 (5)	O90F—Cu3F—O5F—Cu4F	−4.2 (19)
C5A—O2A—C8A—C7A	−0.4 (5)	Cl5F—Cu3F—O5F—Cu4F	−3.52 (12)
Cu2A—O2A—C8A—C7A	−143.5 (3)	Cl2F—Cu3F—O5F—Cu4F	−120.73 (13)
C6A—C7A—C8A—O2A	−24.2 (5)	Cl4F—Cu3F—O5F—Cu4F	121.81 (13)
C12A—O3A—C9A—C10A	6.1 (8)	Cl1F—Cu2F—O5F—Cu1F	−0.86 (13)
C91A—O3A—C9A—C10A	−25.8 (15)	Cl4F—Cu2F—O5F—Cu1F	118.20 (14)
Cu3A—O3A—C9A—C10A	−179.2 (3)	Cl6F—Cu2F—O5F—Cu1F	−126.46 (14)
O3A—C9A—C10A—C11A	11.5 (8)	Cl1F—Cu2F—O5F—Cu3F	−121.65 (13)
O3A—C9A—C10A—C90A	−2.9 (19)	Cl4F—Cu2F—O5F—Cu3F	−2.59 (12)
C90A—C10A—C11A—C12A	45 (5)	Cl6F—Cu2F—O5F—Cu3F	112.75 (13)
C9A—C10A—C11A—C12A	−22.6 (11)	Cl1F—Cu2F—O5F—Cu4F	119.21 (13)
C91A—O3A—C12A—C11A	78 (3)	Cl4F—Cu2F—O5F—Cu4F	−121.73 (13)
C9A—O3A—C12A—C11A	−21.9 (11)	Cl6F—Cu2F—O5F—Cu4F	−6.39 (12)
Cu3A—O3A—C12A—C11A	164.1 (7)	Cl3F—Cu4F—O5F—Cu1F	−1.16 (12)
C10A—C11A—C12A—O3A	27.6 (12)	Cl6F—Cu4F—O5F—Cu1F	127.97 (13)
C16A—O4A—C13A—C14A	13.7 (5)	Cl5F—Cu4F—O5F—Cu1F	−115.83 (13)
Cu4A—O4A—C13A—C14A	−122.7 (3)	Cl3F—Cu4F—O5F—Cu3F	118.13 (13)
O4A—C13A—C14A—C15A	−33.2 (5)	Cl6F—Cu4F—O5F—Cu3F	−112.74 (13)
C13A—C14A—C15A—C16A	39.8 (5)	Cl5F—Cu4F—O5F—Cu3F	3.46 (12)
C13A—O4A—C16A—C15A	11.9 (5)	Cl3F—Cu4F—O5F—Cu2F	−122.67 (13)
Cu4A—O4A—C16A—C15A	146.2 (3)	Cl6F—Cu4F—O5F—Cu2F	6.46 (12)
C14A—C15A—C16A—O4A	−31.8 (5)	Cl5F—Cu4F—O5F—Cu2F	122.66 (13)
C11A—C10A—C90A—C91A	−87 (7)	C4F—O6F—C1F—C90F	25.2 (15)
C9A—C10A—C90A—C91A	29 (4)	C4F—O6F—C1F—C2F	0.0 (8)
C12A—O3A—C91A—C90A	−51.3 (19)	O6F—C1F—C2F—C3F	18.8 (8)
C9A—O3A—C91A—C90A	41 (3)	C90F—C1F—C2F—C3F	−78 (2)
Cu3A—O3A—C91A—C90A	−166.2 (19)	C1F—C2F—C3F—C4F	−29.4 (8)
C10A—C90A—C91A—O3A	−42 (4)	C1F—C2F—C3F—C90F	74 (2)
Cl2B—Cu1B—O5B—Cu3B	−0.03 (13)	C1F—O6F—C4F—C3F	−18.9 (8)
Cl1B—Cu1B—O5B—Cu3B	124.53 (14)	C2F—C3F—C4F—O6F	30.0 (8)
Cl3B—Cu1B—O5B—Cu3B	−121.62 (14)	C90F—C3F—C4F—O6F	5.5 (16)
Cl2B—Cu1B—O5B—Cu2B	−119.84 (13)	C8F—O2F—C5F—C6F	22.8 (5)
Cl1B—Cu1B—O5B—Cu2B	4.72 (13)	Cu2F—O2F—C5F—C6F	163.5 (3)
Cl3B—Cu1B—O5B—Cu2B	118.58 (14)	O2F—C5F—C6F—C7F	−37.8 (5)
Cl2B—Cu1B—O5B—Cu4B	120.25 (13)	C5F—C6F—C7F—C8F	38.8 (5)
Cl1B—Cu1B—O5B—Cu4B	−115.19 (13)	C5F—O2F—C8F—C7F	2.2 (5)
Cl3B—Cu1B—O5B—Cu4B	−1.34 (12)	Cu2F—O2F—C8F—C7F	−139.1 (3)
Cl2B—Cu3B—O5B—Cu1B	0.03 (13)	C6F—C7F—C8F—O2F	−25.4 (5)
Cl5B—Cu3B—O5B—Cu1B	125.85 (14)	C12F—O4F—C9F—C10F	13.7 (5)
Cl4B—Cu3B—O5B—Cu1B	−116.41 (14)	Cu4F—O4F—C9F—C10F	156.4 (3)
Cl2B—Cu3B—O5B—Cu2B	119.75 (13)	O4F—C9F—C10F—C11F	−33.2 (5)
Cl5B—Cu3B—O5B—Cu2B	−114.43 (13)	C9F—C10F—C11F—C12F	39.7 (5)
Cl4B—Cu3B—O5B—Cu2B	3.32 (12)	C9F—O4F—C12F—C11F	11.3 (5)
Cl2B—Cu3B—O5B—Cu4B	−120.66 (13)	Cu4F—O4F—C12F—C11F	−132.0 (4)
Cl5B—Cu3B—O5B—Cu4B	5.16 (12)	C10F—C11F—C12F—O4F	−31.4 (5)
Cl4B—Cu3B—O5B—Cu4B	122.90 (13)	C16F—O90F—C13F—O3F	−76 (2)
Cl4B—Cu2B—O5B—Cu1B	116.64 (13)	Cu3F—O90F—C13F—O3F	81 (4)
Cl6B—Cu2B—O5B—Cu1B	−125.85 (13)	C16F—O90F—C13F—C14F	18 (3)
Cl1B—Cu2B—O5B—Cu1B	−4.70 (12)	Cu3F—O90F—C13F—C14F	175.6 (18)
Cl4B—Cu2B—O5B—Cu3B	−3.37 (13)	C16F—O3F—C13F—O90F	74 (2)
Cl6B—Cu2B—O5B—Cu3B	114.14 (13)	Cu3F—O3F—C13F—O90F	−68 (2)
Cl1B—Cu2B—O5B—Cu3B	−124.71 (13)	C16F—O3F—C13F—C14F	−18.2 (6)
Cl4B—Cu2B—O5B—Cu4B	−122.99 (13)	Cu3F—O3F—C13F—C14F	−160.3 (3)
Cl6B—Cu2B—O5B—Cu4B	−5.48 (12)	O90F—C13F—C14F—C15F	−28.4 (17)
Cl1B—Cu2B—O5B—Cu4B	115.67 (13)	O3F—C13F—C14F—C15F	−6.3 (6)
Cl3B—Cu4B—O5B—Cu1B	1.38 (12)	C13F—C14F—C15F—C16F	26.9 (6)
Cl5B—Cu4B—O5B—Cu1B	−125.60 (13)	C13F—O90F—C16F—O3F	76 (2)
Cl6B—Cu4B—O5B—Cu1B	125.33 (13)	Cu3F—O90F—C16F—O3F	−80 (4)
Cl3B—Cu4B—O5B—Cu3B	121.87 (13)	C13F—O90F—C16F—C15F	−1 (3)
Cl5B—Cu4B—O5B—Cu3B	−5.11 (12)	Cu3F—O90F—C16F—C15F	−156 (2)
Cl6B—Cu4B—O5B—Cu3B	−114.18 (13)	C13F—O3F—C16F—O90F	−74 (2)
Cl3B—Cu4B—O5B—Cu2B	−118.50 (13)	Cu3F—O3F—C16F—O90F	65 (2)
Cl5B—Cu4B—O5B—Cu2B	114.52 (13)	C13F—O3F—C16F—C15F	35.1 (5)
Cl6B—Cu4B—O5B—Cu2B	5.45 (12)	Cu3F—O3F—C16F—C15F	174.7 (3)
C4B—O6B—C1B—C2B	−6.9 (6)	C14F—C15F—C16F—O90F	−16.4 (19)
O6B—C1B—C2B—C3B	24.0 (6)	C14F—C15F—C16F—O3F	−38.0 (5)
C1B—C2B—C3B—C4B	−31.5 (6)	C20F—O7F—C17F—C18F	41.3 (5)
C1B—O6B—C4B—C3B	−13.3 (7)	O7F—C17F—C18F—C19F	−24.3 (6)
C2B—C3B—C4B—O6B	28.0 (6)	C17F—C18F—C19F—C20F	−0.8 (6)
C8B—O2B—C5B—C6B	42.7 (5)	C17F—O7F—C20F—C19F	−41.7 (6)
Cu2B—O2B—C5B—C6B	−177.7 (3)	C18F—C19F—C20F—O7F	25.5 (6)
O2B—C5B—C6B—C7B	−28.0 (5)	O6F—C1F—C90F—C3F	−20 (2)
C5B—C6B—C7B—C8B	4.2 (6)	C2F—C1F—C90F—C3F	70.8 (17)
C5B—O2B—C8B—C7B	−40.0 (5)	C2F—C3F—C90F—C1F	−74.3 (17)
Cu2B—O2B—C8B—C7B	−178.6 (3)	C4F—C3F—C90F—C1F	9 (2)
C6B—C7B—C8B—O2B	21.2 (6)	Cl2G—Cu1G—O5G—Cu4G	115.86 (13)
C12B—O3B—C9B—C10B	−19.2 (5)	Cl1G—Cu1G—O5G—Cu4G	−120.53 (13)
Cu3B—O3B—C9B—C10B	−177.0 (3)	Cl3G—Cu1G—O5G—Cu4G	−1.55 (12)
O3B—C9B—C10B—C11B	36.6 (5)	Cl2G—Cu1G—O5G—Cu3G	−2.58 (13)
C9B—C10B—C11B—C12B	−39.9 (5)	Cl1G—Cu1G—O5G—Cu3G	121.02 (14)
C9B—O3B—C12B—C11B	−5.9 (5)	Cl3G—Cu1G—O5G—Cu3G	−120.00 (14)
Cu3B—O3B—C12B—C11B	153.1 (3)	Cl2G—Cu1G—O5G—Cu2G	−122.97 (14)
C10B—C11B—C12B—O3B	28.4 (5)	Cl1G—Cu1G—O5G—Cu2G	0.64 (13)
C16B—O4B—C13B—C14B	9.0 (5)	Cl3G—Cu1G—O5G—Cu2G	119.62 (14)
Cu4B—O4B—C13B—C14B	−132.4 (3)	Cl5G—Cu4G—O5G—Cu1G	−118.30 (13)
O4B—C13B—C14B—C15B	−31.8 (5)	Cl3G—Cu4G—O5G—Cu1G	1.57 (12)
C13B—C14B—C15B—C16B	42.0 (5)	Cl6G—Cu4G—O5G—Cu1G	123.81 (13)
C13B—O4B—C16B—C15B	17.8 (5)	Cl5G—Cu4G—O5G—Cu3G	−0.07 (13)
Cu4B—O4B—C16B—C15B	158.8 (3)	Cl3G—Cu4G—O5G—Cu3G	119.80 (13)
C14B—C15B—C16B—O4B	−36.9 (5)	Cl6G—Cu4G—O5G—Cu3G	−117.96 (14)
C20B—O7B—C17B—C18B	−2.4 (6)	Cl5G—Cu4G—O5G—Cu2G	120.80 (14)
O7B—C17B—C18B—C90B	−8.6 (8)	Cl3G—Cu4G—O5G—Cu2G	−119.33 (14)
O7B—C17B—C18B—C19B	22.1 (6)	Cl6G—Cu4G—O5G—Cu2G	2.91 (13)
C90B—C18B—C19B—C20B	66.8 (11)	Cl2G—Cu3G—O5G—Cu1G	2.57 (13)
C17B—C18B—C19B—C20B	−33.2 (7)	Cl4G—Cu3G—O5G—Cu1G	−124.01 (14)
C17B—O7B—C20B—C90B	13.0 (8)	Cl5G—Cu3G—O5G—Cu1G	118.29 (14)
C17B—O7B—C20B—C19B	−18.8 (6)	Cl2G—Cu3G—O5G—Cu4G	−115.66 (14)
C18B—C19B—C20B—O7B	32.6 (7)	Cl4G—Cu3G—O5G—Cu4G	117.76 (13)
C18B—C19B—C20B—C90B	−67.3 (11)	Cl5G—Cu3G—O5G—Cu4G	0.07 (13)
O7B—C20B—C90B—C18B	−18.3 (11)	Cl2G—Cu3G—O5G—Cu2G	123.08 (14)
C19B—C20B—C90B—C18B	71.4 (11)	Cl4G—Cu3G—O5G—Cu2G	−3.49 (13)
C19B—C18B—C90B—C20B	−71.5 (11)	Cl5G—Cu3G—O5G—Cu2G	−121.19 (14)
C17B—C18B—C90B—C20B	16.4 (11)	Cl1G—Cu2G—O5G—Cu1G	−0.64 (13)
Cl2C—Cu1C—O5C—Cu3C	1.62 (12)	Cl6G—Cu2G—O5G—Cu1G	−122.97 (14)
Cl3C—Cu1C—O5C—Cu3C	−119.29 (13)	Cl4G—Cu2G—O5G—Cu1G	123.10 (14)
Cl1C—Cu1C—O5C—Cu3C	121.95 (13)	Cl1G—Cu2G—O5G—Cu4G	119.39 (14)
Cl2C—Cu1C—O5C—Cu2C	−118.25 (14)	Cl6G—Cu2G—O5G—Cu4G	−2.94 (13)
Cl3C—Cu1C—O5C—Cu2C	120.84 (14)	Cl4G—Cu2G—O5G—Cu4G	−116.87 (14)
Cl1C—Cu1C—O5C—Cu2C	2.08 (12)	Cl1G—Cu2G—O5G—Cu3G	−120.28 (14)
Cl2C—Cu1C—O5C—Cu4C	120.57 (13)	Cl6G—Cu2G—O5G—Cu3G	117.39 (14)
Cl3C—Cu1C—O5C—Cu4C	−0.34 (12)	Cl4G—Cu2G—O5G—Cu3G	3.46 (13)
Cl1C—Cu1C—O5C—Cu4C	−119.11 (13)	C4G—O1G—C1G—C2G	4.2 (5)
Cl5C—Cu3C—O5C—Cu1C	119.95 (13)	Cu1G—O1G—C1G—C2G	−136.3 (3)
Cl2C—Cu3C—O5C—Cu1C	−1.62 (12)	O1G—C1G—C2G—C3G	−27.3 (5)
Cl4C—Cu3C—O5C—Cu1C	−115.93 (13)	C1G—C2G—C3G—C4G	39.6 (5)
Cl5C—Cu3C—O5C—Cu2C	−118.96 (13)	C1G—O1G—C4G—C3G	21.0 (5)
Cl2C—Cu3C—O5C—Cu2C	119.46 (13)	Cu1G—O1G—C4G—C3G	160.8 (3)
Cl4C—Cu3C—O5C—Cu2C	5.16 (12)	C2G—C3G—C4G—O1G	−37.2 (5)
Cl5C—Cu3C—O5C—Cu4C	1.00 (12)	C8G—O2G—C5G—C90G	−0.1 (10)
Cl2C—Cu3C—O5C—Cu4C	−120.58 (13)	Cu2G—O2G—C5G—C90G	153.2 (9)
Cl4C—Cu3C—O5C—Cu4C	125.12 (13)	C8G—O2G—C5G—C6G	23.5 (6)
Cl1C—Cu2C—O5C—Cu1C	−2.14 (13)	Cu2G—O2G—C5G—C6G	176.8 (4)
Cl4C—Cu2C—O5C—Cu1C	114.74 (14)	O2G—C5G—C6G—C7G	−37.0 (8)
Cl6C—Cu2C—O5C—Cu1C	−127.07 (14)	C90G—C5G—C6G—C7G	53 (4)
Cl1C—Cu2C—O5C—Cu3C	−122.05 (13)	C5G—C6G—C7G—C8G	36.8 (9)
Cl4C—Cu2C—O5C—Cu3C	−5.17 (12)	C5G—O2G—C8G—C7G	−0.6 (7)
Cl6C—Cu2C—O5C—Cu3C	113.02 (13)	Cu2G—O2G—C8G—C7G	−153.6 (5)
Cl1C—Cu2C—O5C—Cu4C	118.54 (13)	C5G—O2G—C8G—C91G	−30.5 (11)
Cl4C—Cu2C—O5C—Cu4C	−124.59 (13)	Cu2G—O2G—C8G—C91G	176.5 (10)
Cl6C—Cu2C—O5C—Cu4C	−6.40 (12)	C6G—C7G—C8G—O2G	−23.7 (9)
C4C—O6C—C1C—C2C	−13.4 (6)	C6G—C7G—C8G—C91G	59 (2)
O6C—C1C—C2C—C90C	16.0 (19)	C12G—O3G—C9G—C10G	−16.7 (5)
O6C—C1C—C2C—C3C	32.5 (6)	Cu3G—O3G—C9G—C10G	−157.8 (3)
C90C—C2C—C3C—C4C	78 (3)	O3G—C9G—C10G—C11G	−8.4 (6)
C1C—C2C—C3C—C4C	−38.8 (7)	C9G—C10G—C11G—C12G	29.1 (6)
C1C—O6C—C4C—C90C	6.1 (19)	C9G—O3G—C12G—C11G	35.2 (6)
C1C—O6C—C4C—C3C	−11.3 (6)	Cu3G—O3G—C12G—C11G	174.2 (3)
C2C—C3C—C4C—O6C	31.6 (7)	C10G—C11G—C12G—O3G	−39.4 (6)
C2C—C3C—C4C—C90C	−78 (3)	C16G—O4G—C13G—C14G	−14.0 (5)
C8C—O2C—C5C—C6C	25.9 (5)	Cu4G—O4G—C13G—C14G	122.6 (3)
Cu2C—O2C—C5C—C6C	167.1 (3)	O4G—C13G—C14G—C15G	34.6 (5)
O2C—C5C—C6C—C7C	−39.9 (5)	C13G—C14G—C15G—C16G	−41.7 (5)
C5C—C6C—C7C—C8C	39.0 (5)	C13G—O4G—C16G—C15G	−12.7 (5)
C5C—O2C—C8C—C7C	−1.3 (5)	Cu4G—O4G—C16G—C15G	−147.3 (3)
Cu2C—O2C—C8C—C7C	−143.8 (3)	C14G—C15G—C16G—O4G	33.6 (5)
C6C—C7C—C8C—O2C	−23.7 (5)	O2G—C5G—C90G—C91G	31.7 (17)
C12C—O4C—C9C—C10C	18.9 (5)	C6G—C5G—C90G—C91G	−64 (3)
Cu4C—O4C—C9C—C10C	161.7 (3)	C5G—C90G—C91G—C8G	−50.0 (18)
O4C—C9C—C10C—C11C	−36.7 (5)	O2G—C8G—C91G—C90G	49.2 (17)
C9C—C10C—C11C—C12C	40.1 (5)	C7G—C8G—C91G—C90G	−55 (2)
C9C—O4C—C12C—C11C	6.5 (5)	Cl2H—Cu1H—O5H—Cu4H	120.99 (14)
Cu4C—O4C—C12C—C11C	−137.2 (3)	Cl1H—Cu1H—O5H—Cu4H	−113.78 (13)
C10C—C11C—C12C—O4C	−28.8 (5)	Cl3H—Cu1H—O5H—Cu4H	0.38 (12)
C16C—O3C—C13C—C14C	−4.4 (6)	Cl2H—Cu1H—O5H—Cu2H	−118.65 (13)
Cu3C—O3C—C13C—C14C	−166.0 (3)	Cl1H—Cu1H—O5H—Cu2H	6.58 (12)
O3C—C13C—C14C—C15C	−17.0 (6)	Cl3H—Cu1H—O5H—Cu2H	120.74 (14)
C13C—C14C—C15C—C16C	31.1 (6)	Cl2H—Cu1H—O5H—Cu3H	1.55 (12)
C13C—O3C—C16C—C15C	23.8 (6)	Cl1H—Cu1H—O5H—Cu3H	126.78 (13)
Cu3C—O3C—C16C—C15C	−176.8 (4)	Cl3H—Cu1H—O5H—Cu3H	−119.06 (14)
C14C—C15C—C16C—O3C	−33.8 (6)	Cl3H—Cu4H—O5H—Cu1H	−0.40 (13)
C20C—O7C—C17C—C18C	−5.5 (8)	Cl5H—Cu4H—O5H—Cu1H	−125.15 (14)
O7C—C17C—C18C—C91C	9 (3)	Cl6H—Cu4H—O5H—Cu1H	124.21 (13)
O7C—C17C—C18C—C19C	26.3 (11)	Cl3H—Cu4H—O5H—Cu2H	−120.95 (13)
C91C—C18C—C19C—C20C	78 (3)	Cl5H—Cu4H—O5H—Cu2H	114.30 (13)
C17C—C18C—C19C—C20C	−36.1 (12)	Cl6H—Cu4H—O5H—Cu2H	3.66 (12)
C17C—O7C—C20C—C91C	0 (3)	Cl3H—Cu4H—O5H—Cu3H	119.55 (13)
C17C—O7C—C20C—C19C	−17.3 (9)	Cl5H—Cu4H—O5H—Cu3H	−5.21 (12)
C18C—C19C—C20C—O7C	33.2 (11)	Cl6H—Cu4H—O5H—Cu3H	−115.84 (13)
C18C—C19C—C20C—C91C	−78 (3)	Cl4H—Cu2H—O5H—Cu1H	117.42 (13)
C3C—C2C—C90C—C4C	−80 (3)	Cl6H—Cu2H—O5H—Cu1H	−124.81 (13)
C1C—C2C—C90C—C4C	−12 (3)	Cl1H—Cu2H—O5H—Cu1H	−6.57 (12)
O6C—C4C—C90C—C2C	4 (3)	Cl4H—Cu2H—O5H—Cu4H	−121.46 (13)
C3C—C4C—C90C—C2C	79 (3)	Cl6H—Cu2H—O5H—Cu4H	−3.69 (12)
C19C—C18C—C91C—C20C	−80 (3)	Cl1H—Cu2H—O5H—Cu4H	114.55 (13)
C17C—C18C—C91C—C20C	−9 (5)	Cl4H—Cu2H—O5H—Cu3H	−2.63 (13)
O7C—C20C—C91C—C18C	6 (5)	Cl6H—Cu2H—O5H—Cu3H	115.14 (13)
C19C—C20C—C91C—C18C	79 (3)	Cl1H—Cu2H—O5H—Cu3H	−126.62 (13)
Cl3D—Cu4D—O5D—Cu1D	2.16 (12)	Cl2H—Cu3H—O5H—Cu1H	−1.56 (13)
Cl5D—Cu4D—O5D—Cu1D	−119.38 (13)	Cl5H—Cu3H—O5H—Cu1H	125.88 (13)
Cl6D—Cu4D—O5D—Cu1D	124.26 (13)	Cl4H—Cu3H—O5H—Cu1H	−117.56 (14)
Cl3D—Cu4D—O5D—Cu2D	−118.22 (14)	Cl2H—Cu3H—O5H—Cu4H	−122.18 (13)
Cl5D—Cu4D—O5D—Cu2D	120.24 (14)	Cl5H—Cu3H—O5H—Cu4H	5.26 (12)
Cl6D—Cu4D—O5D—Cu2D	3.88 (13)	Cl4H—Cu3H—O5H—Cu4H	121.82 (13)
Cl3D—Cu4D—O5D—Cu3D	121.23 (13)	Cl2H—Cu3H—O5H—Cu2H	118.58 (13)
Cl5D—Cu4D—O5D—Cu3D	−0.31 (12)	Cl5H—Cu3H—O5H—Cu2H	−113.98 (13)
Cl6D—Cu4D—O5D—Cu3D	−116.67 (13)	Cl4H—Cu3H—O5H—Cu2H	2.58 (12)
Cl2D—Cu1D—O5D—Cu4D	118.28 (13)	C4H—O6H—C1H—C2H	0.0 (7)
Cl1D—Cu1D—O5D—Cu4D	−119.45 (13)	O6H—C1H—C2H—C3H	18.0 (7)
Cl3D—Cu1D—O5D—Cu4D	−2.13 (12)	C1H—C2H—C3H—C4H	−28.7 (7)
Cl2D—Cu1D—O5D—Cu2D	−120.93 (14)	C1H—O6H—C4H—C3H	−18.2 (7)
Cl1D—Cu1D—O5D—Cu2D	1.34 (13)	C2H—C3H—C4H—O6H	29.0 (7)
Cl3D—Cu1D—O5D—Cu2D	118.66 (14)	C90H—O2H—C5H—C6H	13.0 (12)
Cl2D—Cu1D—O5D—Cu3D	0.24 (13)	C8H—O2H—C5H—C6H	41.7 (6)
Cl1D—Cu1D—O5D—Cu3D	122.51 (14)	Cu2H—O2H—C5H—C6H	−177.6 (3)
Cl3D—Cu1D—O5D—Cu3D	−120.18 (14)	O2H—C5H—C6H—C7H	−36.7 (6)
Cl1D—Cu2D—O5D—Cu4D	118.48 (14)	C5H—C6H—C7H—C90H	44.7 (11)
Cl6D—Cu2D—O5D—Cu4D	−3.92 (13)	C5H—C6H—C7H—C8H	19.2 (8)
Cl4D—Cu2D—O5D—Cu4D	−118.78 (14)	C90H—O2H—C8H—C7H	70.8 (17)
Cl1D—Cu2D—O5D—Cu1D	−1.34 (13)	C5H—O2H—C8H—C7H	−28.6 (7)
Cl6D—Cu2D—O5D—Cu1D	−123.74 (14)	Cu2H—O2H—C8H—C7H	−168.7 (4)
Cl4D—Cu2D—O5D—Cu1D	121.40 (14)	C6H—C7H—C8H—O2H	5.0 (8)
Cl1D—Cu2D—O5D—Cu3D	−122.23 (14)	C90H—C7H—C8H—O2H	−69.8 (16)
Cl6D—Cu2D—O5D—Cu3D	115.37 (13)	C12H—O3H—C9H—C10H	−18.1 (5)
Cl4D—Cu2D—O5D—Cu3D	0.51 (12)	Cu3H—O3H—C9H—C10H	−167.8 (3)
Cl5D—Cu3D—O5D—Cu4D	0.31 (12)	O3H—C9H—C10H—C11H	36.6 (5)
Cl4D—Cu3D—O5D—Cu4D	120.14 (13)	C9H—C10H—C11H—C12H	−41.5 (5)
Cl2D—Cu3D—O5D—Cu4D	−118.70 (13)	C9H—O3H—C12H—C11H	−8.2 (5)
Cl5D—Cu3D—O5D—Cu1D	118.77 (14)	Cu3H—O3H—C12H—C11H	143.4 (3)
Cl4D—Cu3D—O5D—Cu1D	−121.39 (14)	C10H—C11H—C12H—O3H	30.8 (5)
Cl2D—Cu3D—O5D—Cu1D	−0.23 (13)	C16H—O4H—C13H—C14H	13.8 (6)
Cl5D—Cu3D—O5D—Cu2D	−120.35 (13)	Cu4H—O4H—C13H—C14H	−124.5 (4)
Cl4D—Cu3D—O5D—Cu2D	−0.52 (13)	O4H—C13H—C14H—C15H	−34.9 (5)
Cl2D—Cu3D—O5D—Cu2D	120.64 (14)	C13H—C14H—C15H—C16H	42.6 (5)
C4D—O1D—C1D—C2D	−6.7 (6)	C13H—O4H—C16H—C15H	13.1 (5)
Cu1D—O1D—C1D—C2D	−143.8 (5)	Cu4H—O4H—C16H—C15H	151.0 (3)
C4D—O1D—C1D—C91D	−33.7 (7)	C14H—C15H—C16H—O4H	−34.3 (5)
Cu1D—O1D—C1D—C91D	−170.8 (6)	C20H—O7H—C17H—C18H	9.2 (7)
O1D—C1D—C2D—C3D	−15.2 (8)	O7H—C17H—C18H—C19H	−2.9 (9)
C91D—C1D—C2D—C3D	64.9 (14)	C17H—C18H—C19H—C20H	−4.2 (10)
C1D—C2D—C3D—C91D	−69.9 (13)	C17H—O7H—C20H—C19H	−11.5 (7)
C1D—C2D—C3D—C4D	30.4 (7)	C18H—C19H—C20H—O7H	9.8 (9)
C1D—O1D—C4D—C3D	26.4 (5)	C5H—O2H—C90H—C7H	15.8 (18)
Cu1D—O1D—C4D—C3D	163.0 (3)	C8H—O2H—C90H—C7H	−73.6 (15)
C91D—C3D—C4D—O1D	−7.8 (8)	Cu2H—O2H—C90H—C7H	−152.0 (8)
C2D—C3D—C4D—O1D	−34.9 (6)	C6H—C7H—C90H—O2H	−37.4 (16)
C8D—O2D—C5D—C6D	22.1 (5)	C8H—C7H—C90H—O2H	73.7 (15)
Cu2D—O2D—C5D—C6D	172.5 (3)	Cl6I—Cu1I—O5I—Cu3I	−119.79 (13)
O2D—C5D—C6D—C7D	−36.3 (5)	Cl1I—Cu1I—O5I—Cu3I	−0.07 (12)
C5D—C6D—C7D—C8D	37.0 (5)	Cl4I—Cu1I—O5I—Cu3I	120.60 (13)
C5D—O2D—C8D—C7D	1.0 (5)	Cl6I—Cu1I—O5I—Cu2I	120.85 (14)
Cu2D—O2D—C8D—C7D	−149.3 (3)	Cl1I—Cu1I—O5I—Cu2I	−119.43 (14)
C6D—C7D—C8D—O2D	−24.0 (5)	Cl4I—Cu1I—O5I—Cu2I	1.24 (12)
C90D—O3D—C9D—C10D	−3.5 (11)	Cl6I—Cu1I—O5I—Cu4I	−0.09 (12)
C12D—O3D—C9D—C10D	−32.7 (6)	Cl1I—Cu1I—O5I—Cu4I	119.64 (13)
Cu3D—O3D—C9D—C10D	−171.0 (4)	Cl4I—Cu1I—O5I—Cu4I	−119.69 (13)
O3D—C9D—C10D—C11D	13.9 (7)	Cl2I—Cu3I—O5I—Cu1I	122.49 (13)
C9D—C10D—C11D—C90D	−19.2 (11)	Cl1I—Cu3I—O5I—Cu1I	0.07 (12)
C9D—C10D—C11D—C12D	9.5 (7)	Cl3I—Cu3I—O5I—Cu1I	−112.85 (13)
C90D—O3D—C12D—C11D	−66.8 (15)	Cl2I—Cu3I—O5I—Cu2I	−117.23 (13)
C9D—O3D—C12D—C11D	39.2 (7)	Cl1I—Cu3I—O5I—Cu2I	120.36 (13)
Cu3D—O3D—C12D—C11D	177.7 (4)	Cl3I—Cu3I—O5I—Cu2I	7.44 (13)
C90D—C11D—C12D—O3D	66.6 (15)	Cl2I—Cu3I—O5I—Cu4I	2.60 (13)
C10D—C11D—C12D—O3D	−29.2 (7)	Cl1I—Cu3I—O5I—Cu4I	−119.81 (13)
C16D—O4D—C13D—C14D	−17.7 (5)	Cl3I—Cu3I—O5I—Cu4I	127.27 (13)
Cu4D—O4D—C13D—C14D	118.7 (3)	Cl4I—Cu2I—O5I—Cu1I	−1.25 (13)
O4D—C13D—C14D—C15D	35.4 (5)	Cl5I—Cu2I—O5I—Cu1I	−125.28 (14)
C13D—C14D—C15D—C16D	−39.6 (5)	Cl3I—Cu2I—O5I—Cu1I	112.88 (14)
C13D—O4D—C16D—C15D	−7.7 (5)	Cl4I—Cu2I—O5I—Cu3I	−121.53 (13)
Cu4D—O4D—C16D—C15D	−142.7 (3)	Cl5I—Cu2I—O5I—Cu3I	114.44 (13)
C14D—C15D—C16D—O4D	29.4 (5)	Cl3I—Cu2I—O5I—Cu3I	−7.39 (13)
C9D—O3D—C90D—C11D	−8.7 (16)	Cl4I—Cu2I—O5I—Cu4I	119.26 (14)
C12D—O3D—C90D—C11D	74.8 (14)	Cl5I—Cu2I—O5I—Cu4I	−4.77 (13)
Cu3D—O3D—C90D—C11D	157.6 (7)	Cl3I—Cu2I—O5I—Cu4I	−126.61 (14)
C12D—C11D—C90D—O3D	−74.7 (14)	Cl6I—Cu4I—O5I—Cu1I	0.09 (13)
C10D—C11D—C90D—O3D	17.2 (15)	Cl5I—Cu4I—O5I—Cu1I	125.63 (14)
C4D—C3D—C91D—C1D	−13.1 (11)	Cl2I—Cu4I—O5I—Cu1I	−122.83 (13)
C2D—C3D—C91D—C1D	73.5 (14)	Cl6I—Cu4I—O5I—Cu3I	120.35 (13)
O1D—C1D—C91D—C3D	28.4 (10)	Cl5I—Cu4I—O5I—Cu3I	−114.11 (13)
C2D—C1D—C91D—C3D	−78.5 (14)	Cl2I—Cu4I—O5I—Cu3I	−2.57 (12)
Cl4E—Cu3E—O5E—Cu2E	−2.44 (13)	Cl6I—Cu4I—O5I—Cu2I	−120.80 (14)
Cl2E—Cu3E—O5E—Cu2E	122.11 (14)	Cl5I—Cu4I—O5I—Cu2I	4.74 (13)
Cl5E—Cu3E—O5E—Cu2E	−121.06 (13)	Cl2I—Cu4I—O5I—Cu2I	116.28 (14)
Cl4E—Cu3E—O5E—Cu4E	116.90 (13)	C4I—O6I—C1I—C2I	−9.7 (6)
Cl2E—Cu3E—O5E—Cu4E	−118.54 (13)	O6I—C1I—C2I—C3I	27.0 (6)
Cl5E—Cu3E—O5E—Cu4E	−1.71 (12)	C1I—C2I—C3I—C4I	−33.4 (6)
Cl4E—Cu3E—O5E—Cu1E	−124.19 (14)	C1I—O6I—C4I—C3I	−12.3 (6)
Cl2E—Cu3E—O5E—Cu1E	0.36 (13)	C2I—C3I—C4I—O6I	28.6 (6)
Cl5E—Cu3E—O5E—Cu1E	117.19 (14)	C8I—O2I—C5I—C6I	25.4 (5)
Cl1E—Cu2E—O5E—Cu3E	−118.84 (14)	Cu2I—O2I—C5I—C6I	167.2 (3)
Cl4E—Cu2E—O5E—Cu3E	2.43 (13)	O2I—C5I—C6I—C7I	−39.9 (5)
Cl6E—Cu2E—O5E—Cu3E	113.75 (13)	C5I—C6I—C7I—C8I	39.4 (5)
Cl1E—Cu2E—O5E—Cu4E	122.32 (14)	C5I—O2I—C8I—C7I	−0.4 (5)
Cl4E—Cu2E—O5E—Cu4E	−116.41 (14)	Cu2I—O2I—C8I—C7I	−143.3 (3)
Cl6E—Cu2E—O5E—Cu4E	−5.09 (13)	C6I—C7I—C8I—O2I	−24.3 (5)
Cl1E—Cu2E—O5E—Cu1E	2.35 (13)	C12I—O4I—C9I—C10I	14.7 (5)
Cl4E—Cu2E—O5E—Cu1E	123.62 (14)	Cu4I—O4I—C9I—C10I	154.1 (3)
Cl6E—Cu2E—O5E—Cu1E	−125.06 (14)	O4I—C9I—C10I—C11I	−34.1 (5)
Cl3E—Cu4E—O5E—Cu3E	124.95 (13)	C9I—C10I—C11I—C12I	40.1 (5)
Cl6E—Cu4E—O5E—Cu3E	−113.79 (13)	C9I—O4I—C12I—C11I	10.8 (5)
Cl5E—Cu4E—O5E—Cu3E	1.72 (12)	Cu4I—O4I—C12I—C11I	−129.6 (3)
Cl3E—Cu4E—O5E—Cu2E	−116.18 (14)	C10I—C11I—C12I—O4I	−31.3 (5)
Cl6E—Cu4E—O5E—Cu2E	5.09 (13)	C16I—O3I—C13I—C14I	20.8 (5)
Cl5E—Cu4E—O5E—Cu2E	120.59 (14)	Cu3I—O3I—C13I—C14I	161.4 (3)
Cl3E—Cu4E—O5E—Cu1E	5.18 (12)	O3I—C13I—C14I—C90I	−4.8 (11)
Cl6E—Cu4E—O5E—Cu1E	126.45 (13)	O3I—C13I—C14I—C15I	−35.9 (6)
Cl5E—Cu4E—O5E—Cu1E	−118.04 (13)	C90I—C14I—C15I—C16I	−67.8 (13)
Cl2E—Cu1E—O5E—Cu3E	−0.36 (13)	C13I—C14I—C15I—C16I	38.9 (7)
Cl3E—Cu1E—O5E—Cu3E	−124.14 (14)	C13I—O3I—C16I—C15I	4.7 (7)
Cl1E—Cu1E—O5E—Cu3E	118.17 (14)	Cu3I—O3I—C16I—C15I	−133.5 (5)
Cl2E—Cu1E—O5E—Cu2E	−120.85 (14)	C13I—O3I—C16I—C90I	−28.7 (11)
Cl3E—Cu1E—O5E—Cu2E	115.38 (14)	Cu3I—O3I—C16I—C90I	−166.9 (10)
Cl1E—Cu1E—O5E—Cu2E	−2.32 (13)	C14I—C15I—C16I—O3I	−27.6 (8)
Cl2E—Cu1E—O5E—Cu4E	118.61 (13)	C14I—C15I—C16I—C90I	64.8 (13)
Cl3E—Cu1E—O5E—Cu4E	−5.16 (12)	C20I—O7I—C17I—C18I	27.7 (7)
Cl1E—Cu1E—O5E—Cu4E	−122.86 (13)	O7I—C17I—C18I—C19I	−6.9 (7)
C4E—O6E—C1E—C2E	−38.7 (5)	C17I—C18I—C19I—C20I	−15.2 (7)
O6E—C1E—C2E—C3E	31.5 (5)	C17I—O7I—C20I—C19I	−37.5 (6)
C1E—C2E—C3E—C4E	−13.1 (6)	C18I—C19I—C20I—O7I	31.9 (6)
C1E—O6E—C4E—C3E	30.2 (5)	O3I—C16I—C90I—C14I	24.8 (16)
C2E—C3E—C4E—O6E	−9.9 (6)	C15I—C16I—C90I—C14I	−71.8 (13)
C8E—O2E—C5E—C6E	36.3 (6)	C13I—C14I—C90I—C16I	−12.5 (16)
Cu2E—O2E—C5E—C6E	177.6 (3)	C15I—C14I—C90I—C16I	68.1 (13)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1B—H25B···O6B	0.84 (2)	1.78 (2)	2.625 (5)	178 (6)
O1B—H26B···O7B	0.84 (2)	1.81 (2)	2.655 (5)	179 (6)
O1C—H25C···O6C	0.83 (2)	1.80 (2)	2.619 (5)	169 (5)
O1C—H26C···O7C	0.83 (2)	1.84 (2)	2.659 (5)	169 (5)
O1E—H25E···O6E	0.87 (4)	1.79 (4)	2.658 (5)	175 (5)
O1E—H26E···O7E	0.84 (1)	1.81 (3)	2.619 (10)	159 (5)
O1F—H25F···O6F	0.83 (2)	1.80 (2)	2.629 (5)	177 (6)
O1F—H26F···O7F	0.84 (2)	1.83 (2)	2.658 (5)	168 (5)
O1H—H25H···O6H	0.83 (2)	1.80 (2)	2.631 (5)	175 (5)
O1H—H26H···O7H	0.83 (2)	1.85 (2)	2.679 (5)	173 (5)
O1I—H25I···O6I	0.84 (2)	1.79 (2)	2.615 (5)	168 (5)
O1I—H26I···O7I	0.84 (2)	1.85 (2)	2.691 (5)	172 (5)

Selected bond lengths (Å) in cluster A

Cu1A—O5A	1.892 (3)	Cu3A—O5A	1.889 (3)
Cu1A—O1A	1.955 (3)	Cu3A—O3A	1.951 (3)
Cu1A—Cl2A	2.3726 (13)	Cu3A—Cl2A	2.3786 (13)
Cu1A—Cl1A	2.4015 (13)	Cu3A—Cl5A	2.3906 (13)
Cu1A—Cl3A	2.4054 (13)	Cu3A—Cl4A	2.3961 (13)
Cu2A—O5A	1.891 (3)	Cu4A—O5A	1.880 (3)
Cu2A—O2A	1.949 (3)	Cu4A—O4A	1.950 (3)
Cu2A—Cl1A	2.3734 (13)	Cu4A—Cl5A	2.3874 (12)
Cu2A—Cl4A	2.4026 (13)	Cu4A—Cl6A	2.3878 (13)
Cu2A—Cl6A	2.4231 (13)	Cu4A—Cl3A	2.4486 (13)

Selected bond lengths (Å) in cluster B

Cu1B—O5B	1.889 (3)	Cu3B—O5B	1.889 (3)
Cu1B—O1B	1.919 (3)	Cu3B—O3B	1.951 (3)
Cu1B—Cl2B	2.3946 (13)	Cu3B—Cl2B	2.3749 (12)
Cu1B—Cl1B	2.4009 (13)	Cu3B—Cl5B	2.3904 (13)
Cu1B—Cl3B	2.4400 (13)	Cu3B—Cl4B	2.4285 (13)
Cu2B—O5B	1.890 (3)	Cu4B—O5B	1.891 (3)
Cu2B—O2B	1.959 (3)	Cu4B—O4B	1.951 (3)
Cu2B—Cl4B	2.3852 (12)	Cu4B—Cl3B	2.3545 (12)
Cu2B—Cl6B	2.4039 (13)	Cu4B—Cl5B	2.4137 (12)
Cu2B—Cl1B	2.4152 (12)	Cu4B—Cl6B	2.4171 (13)

Selected bond lengths (Å) in cluster C

Cu1C—O5C	1.881 (3)	Cu3C—O5C	1.882 (3)
Cu1C—O1C	1.917 (3)	Cu3C—O3C	1.956 (3)
Cu1C—Cl2C	2.4002 (12)	Cu3C—Cl5C	2.3635 (13)
Cu1C—Cl3C	2.4004 (13)	Cu3C—Cl2C	2.3879 (13)
Cu1C—Cl1C	2.4356 (12)	Cu3C—Cl4C	2.4091 (13)
Cu2C—O5C	1.892 (3)	Cu4C—O5C	1.904 (3)
Cu2C—O2C	1.955 (3)	Cu4C—O4C	1.960 (3)
Cu2C—Cl1C	2.3660 (12)	Cu4C—Cl3C	2.3525 (12)
Cu2C—Cl4C	2.4020 (12)	Cu4C—Cl6C	2.4022 (12)
Cu2C—Cl6C	2.4100 (13)	Cu4C—Cl5C	2.4054 (12)

Selected bond lengths (Å) in cluster D

Cu1D—O5D	1.890 (3)	Cu3D—O5D	1.892 (3)
Cu1D—O1D	1.954 (3)	Cu3D—O3D	1.961 (3)
Cu1D—Cl2D	2.3882 (13)	Cu3D—Cl5D	2.3772 (13)
Cu1D—Cl1D	2.3920 (13)	Cu3D—Cl4D	2.3921 (13)
Cu1D—Cl3D	2.4050 (13)	Cu3D—Cl2D	2.4114 (13)
Cu2D—O5D	1.892 (3)	Cu4D—O5D	1.889 (3)
Cu2D—O2D	1.959 (3)	Cu4D—O4D	1.961 (3)
Cu2D—Cl1D	2.3826 (13)	Cu4D—Cl3D	2.3753 (13)
Cu2D—Cl6D	2.4038 (13)	Cu4D—Cl5D	2.3777 (12)
Cu2D—Cl4D	2.4389 (13)	Cu4D—Cl6D	2.4318 (13)

Selected bond lengths (Å) in cluster E

Cu1E—O5E	1.895 (3)	Cu3E—O5E	1.887 (3)
Cu1E—O1E	1.935 (4)	Cu3E—O3E	1.935 (3)
Cu1E—Cl2E	2.3889 (13)	Cu3E—Cl4E	2.3838 (12)
Cu1E—Cl3E	2.3963 (13)	Cu3E—Cl2E	2.4064 (13)
Cu1E—Cl1E	2.4278 (13)	Cu3E—Cl5E	2.4186 (13)
Cu2E—O5E	1.889 (3)	Cu4E—O5E	1.892 (3)
Cu2E—O2E	1.961 (3)	Cu4E—O4E	1.951 (3)
Cu2E—Cl1E	2.3950 (13)	Cu4E—Cl3E	2.3826 (12)
Cu2E—Cl4E	2.4010 (12)	Cu4E—Cl6E	2.4088 (12)
Cu2E—Cl6E	2.4071 (13)	Cu4E—Cl5E	2.4091 (13)

Selected bond lengths (Å) in cluster F

Cu1F—O5F	1.881 (3)	Cu3F—O5F	1.885 (3)
Cu1F—O1F	1.918 (3)	Cu3F—O90F	1.92 (2)
Cu1F—Cl3F	2.3805 (13)	Cu3F—O3F	1.970 (4)
Cu1F—Cl2F	2.4123 (12)	Cu3F—Cl5F	2.3786 (13)
Cu1F—Cl1F	2.4344 (12)	Cu3F—Cl2F	2.3905 (13)
Cu2F—O5F	1.888 (3)	Cu3F—Cl4F	2.3968 (13)
Cu2F—O2F	1.956 (3)	Cu4F—O5F	1.898 (3)
Cu2F—Cl1F	2.3805 (13)	Cu4F—O4F	1.952 (3)
Cu2F—Cl4F	2.4067 (13)	Cu4F—Cl3F	2.3622 (13)
Cu2F—Cl6F	2.4103 (13)	Cu4F—Cl6F	2.3802 (12)
		Cu4F—Cl5F	2.4271 (13)

Selected bond lengths (Å) in cluster G

Cu1G—O5G	1.885 (3)	Cu3G—O5G	1.886 (3)
Cu1G—O1G	1.936 (3)	Cu3G—O3G	1.956 (3)
Cu1G—Cl2G	2.3763 (13)	Cu3G—Cl2G	2.3897 (13)
Cu1G—Cl1G	2.4073 (13)	Cu3G—Cl4G	2.3968 (13)
Cu1G—Cl3G	2.4167 (14)	Cu3G—Cl5G	2.4090 (13)
Cu2G—O5G	1.894 (3)	Cu4G—O5G	1.886 (3)
Cu2G—O2G	1.952 (3)	Cu4G—O4G	1.954 (3)
Cu2G—Cl1G	2.3839 (13)	Cu4G—Cl5G	2.3848 (13)
Cu2G—Cl6G	2.4052 (13)	Cu4G—Cl3G	2.3886 (13)
Cu2G—Cl4G	2.4254 (13)	Cu4G—Cl6G	2.4312 (13)

Selected bond lengths (Å) in cluster H

Cu1H—O5H	1.882 (3)	Cu3H—O5H	1.893 (3)
Cu1H—O1H	1.931 (3)	Cu3H—O3H	1.950 (3)
Cu1H—Cl2H	2.3882 (13)	Cu3H—Cl2H	2.3692 (12)
Cu1H—Cl1H	2.4053 (13)	Cu3H—Cl5H	2.3841 (13)
Cu1H—Cl3H	2.4526 (14)	Cu3H—Cl4H	2.4335 (13)
Cu2H—O5H	1.892 (3)	Cu4H—O5H	1.890 (3)
Cu2H—O2H	1.960 (3)	Cu4H—O4H	1.962 (3)
Cu2H—Cl4H	2.3785 (12)	Cu4H—Cl3H	2.3581 (13)
Cu2H—Cl6H	2.3952 (13)	Cu4H—Cl5H	2.4087 (12)
Cu2H—Cl1H	2.4104 (12)	Cu4H—Cl6H	2.4135 (13)

Selected bond lengths (Å) in cluster I

Cu1I—O5I	1.884 (3)	Cu3I—O5I	1.888 (3)
Cu1I—O1I	1.927 (3)	Cu3I—O3I	1.968 (3)
Cu1I—Cl6I	2.4059 (13)	Cu3I—Cl2I	2.3739 (13)
Cu1I—Cl1I	2.4075 (12)	Cu3I—Cl1I	2.3896 (13)
Cu1I—Cl4I	2.4152 (12)	Cu3I—Cl3I	2.4086 (13)
Cu2I—O5I	1.891 (3)	Cu4I—O5I	1.892 (3)
Cu2I—O2I	1.945 (3)	Cu4I—O4I	1.947 (3)
Cu2I—Cl4I	2.3786 (13)	Cu4I—Cl6I	2.3575 (13)
Cu2I—Cl5I	2.3965 (13)	Cu4I—Cl5I	2.4137 (13)
Cu2I—Cl3I	2.4241 (13)	Cu4I—Cl2I	2.4143 (13)

Selected bond angles (°) in cluster A related to geometry about the central O and Cu atoms.

Cu4A	O5A	Cu3A	109.30 (14)
Cu4A	O5A	Cu2A	109.17 (15)
Cu3A	O5A	Cu2A	110.48 (15)
Cu4A	O5A	Cu1A	109.24 (15)
Cu3A	O5A	Cu1A	108.80 (15)
Cu2A	O5A	Cu1A	109.83 (14)
O5A	Cu1A	O1A	175.51 (14)
O5A	Cu1A	Cl2A	85.34 (10)
O1A	Cu1A	Cl2A	92.97 (10)
O5A	Cu1A	Cl1A	83.94 (9)
O1A	Cu1A	Cl1A	93.81 (10)
Cl2A	Cu1A	Cl1A	127.21 (5)
O5A	Cu1A	Cl3A	86.57 (10)
O1A	Cu1A	Cl3A	97.89 (10)
Cl2A	Cu1A	Cl3A	118.74 (5)
Cl1A	Cu1A	Cl3A	111.99 (5)
O5A	Cu2A	O2A	179.33 (14)
O5A	Cu2A	Cl1A	84.74 (9)
O2A	Cu2A	Cl1A	95.77 (10)
O5A	Cu2A	Cl4A	84.30 (10)
O2A	Cu2A	Cl4A	95.73 (10)
Cl1A	Cu2A	Cl4A	127.68 (5)
O5A	Cu2A	Cl6A	85.07 (10)
O2A	Cu2A	Cl6A	94.32 (10)
Cl1A	Cu2A	Cl6A	113.33 (5)
Cl4A	Cu2A	Cl6A	116.41 (5)
O5A	Cu3A	O3A	177.47 (15)
O5A	Cu3A	Cl2A	85.22 (10)
O3A	Cu3A	Cl2A	93.99 (12)
O5A	Cu3A	Cl5A	84.98 (10)
O3A	Cu3A	Cl5A	97.53 (11)
Cl2A	Cu3A	Cl5A	113.40 (5)
O5A	Cu3A	Cl4A	84.52 (10)
O3A	Cu3A	Cl4A	93.86 (13)
Cl2A	Cu3A	Cl4A	121.49 (5)
Cl5A	Cu3A	Cl4A	122.76 (5)
O5A	Cu4A	O4A	177.04 (13)
O5A	Cu4A	Cl5A	85.26 (10)
O4A	Cu4A	Cl5A	97.47 (10)
O5A	Cu4A	Cl6A	86.31 (10)
O4A	Cu4A	Cl6A	91.21 (10)
Cl5A	Cu4A	Cl6A	124.00 (5)
O5A	Cu4A	Cl3A	85.56 (10)
O4A	Cu4A	Cl3A	94.35 (10)
Cl5A	Cu4A	Cl3A	113.35 (5)
Cl6A	Cu4A	Cl3A	120.99 (5)

Selected bond angles (°) in cluster B related to geometry about the central O and Cu atoms.

Cu1B	O5B	Cu3B	109.67 (14)
Cu1B	O5B	Cu2B	109.21 (15)
Cu3B	O5B	Cu2B	109.35 (15)
Cu1B	O5B	Cu4B	110.01 (15)
Cu3B	O5B	Cu4B	109.32 (15)
Cu2B	O5B	Cu4B	109.27 (14)
O5B	Cu1B	O1B	179.20 (14)
O5B	Cu1B	Cl2B	84.54 (9)
O1B	Cu1B	Cl2B	94.66 (11)
O5B	Cu1B	Cl1B	85.71 (9)
O1B	Cu1B	Cl1B	94.79 (11)
Cl2B	Cu1B	Cl1B	123.78 (5)
O5B	Cu1B	Cl3B	83.59 (10)
O1B	Cu1B	Cl3B	96.78 (11)
Cl2B	Cu1B	Cl3B	120.50 (5)
Cl1B	Cu1B	Cl3B	113.10 (5)
O5B	Cu2B	O2B	177.32 (13)
O5B	Cu2B	Cl4B	86.04 (9)
O2B	Cu2B	Cl4B	95.36 (10)
O5B	Cu2B	Cl6B	85.62 (10)
O2B	Cu2B	Cl6B	95.76 (10)
Cl4B	Cu2B	Cl6B	117.01 (5)
O5B	Cu2B	Cl1B	85.28 (9)
O2B	Cu2B	Cl1B	92.04 (10)
Cl4B	Cu2B	Cl1B	120.75 (5)
Cl6B	Cu2B	Cl1B	120.52 (5)
O5B	Cu3B	O3B	178.34 (14)
O5B	Cu3B	Cl2B	85.08 (9)
O3B	Cu3B	Cl2B	95.80 (10)
O5B	Cu3B	Cl5B	85.58 (10)
O3B	Cu3B	Cl5B	92.76 (10)
Cl2B	Cu3B	Cl5B	125.08 (5)
O5B	Cu3B	Cl4B	84.81 (9)
O3B	Cu3B	Cl4B	96.06 (10)
Cl2B	Cu3B	Cl4B	115.72 (5)
Cl5B	Cu3B	Cl4B	117.08 (5)
O5B	Cu4B	O4B	178.40 (13)
O5B	Cu4B	Cl3B	85.95 (9)
O4B	Cu4B	Cl3B	95.47 (10)
O5B	Cu4B	Cl5B	84.88 (9)
O4B	Cu4B	Cl5B	93.67 (10)
Cl3B	Cu4B	Cl5B	126.25 (5)
O5B	Cu4B	Cl6B	85.21 (9)
O4B	Cu4B	Cl6B	94.61 (10)
Cl3B	Cu4B	Cl6B	123.31 (5)
Cl5B	Cu4B	Cl6B	108.47 (5)

Selected bond angles (°) in cluster C related to geometry about the central O and Cu atoms.

Cu1C	O5C	Cu3C	108.98 (14)
Cu1C	O5C	Cu2C	110.89 (14)
Cu3C	O5C	Cu2C	108.90 (14)
Cu1C	O5C	Cu4C	109.06 (14)
Cu3C	O5C	Cu4C	109.05 (14)
Cu2C	O5C	Cu4C	109.93 (14)
O5C	Cu1C	O1C	177.90 (14)
O5C	Cu1C	Cl2C	85.55 (9)
O1C	Cu1C	Cl2C	95.72 (11)
O5C	Cu1C	Cl3C	84.60 (9)
O1C	Cu1C	Cl3C	93.31 (11)
Cl2C	Cu1C	Cl3C	120.17 (5)
O5C	Cu1C	Cl1C	83.34 (9)
O1C	Cu1C	Cl1C	97.45 (11)
Cl2C	Cu1C	Cl1C	119.41 (5)
Cl3C	Cu1C	Cl1C	117.70 (5)
O5C	Cu2C	O2C	177.67 (14)
O5C	Cu2C	Cl1C	85.08 (9)
O2C	Cu2C	Cl1C	97.18 (10)
O5C	Cu2C	Cl4C	85.72 (9)
O2C	Cu2C	Cl4C	93.74 (10)
Cl1C	Cu2C	Cl4C	116.27 (5)
O5C	Cu2C	Cl6C	84.56 (9)
O2C	Cu2C	Cl6C	93.70 (10)
Cl1C	Cu2C	Cl6C	124.05 (5)
Cl4C	Cu2C	Cl6C	117.51 (5)
O5C	Cu3C	O3C	176.62 (14)
O5C	Cu3C	Cl5C	86.03 (9)
O3C	Cu3C	Cl5C	94.16 (11)
O5C	Cu3C	Cl2C	85.89 (9)
O3C	Cu3C	Cl2C	96.87 (10)
Cl5C	Cu3C	Cl2C	121.07 (5)
O5C	Cu3C	Cl4C	85.73 (9)
O3C	Cu3C	Cl4C	91.37 (11)
Cl5C	Cu3C	Cl4C	123.57 (5)
Cl2C	Cu3C	Cl4C	113.83 (5)
O5C	Cu4C	O4C	178.91 (13)
O5C	Cu4C	Cl3C	85.48 (9)
O4C	Cu4C	Cl3C	94.04 (10)
O5C	Cu4C	Cl6C	84.53 (9)
O4C	Cu4C	Cl6C	96.54 (10)
Cl3C	Cu4C	Cl6C	126.96 (5)
O5C	Cu4C	Cl5C	84.37 (9)
O4C	Cu4C	Cl5C	95.03 (10)
Cl3C	Cu4C	Cl5C	119.47 (5)
Cl6C	Cu4C	Cl5C	111.13 (5)

Selected bond angles (°) in cluster D related to the geometry about the central O and Cu atoms.

Cu4D	O5D	Cu1D	108.77 (16)
Cu4D	O5D	Cu2D	110.36 (15)
Cu1D	O5D	Cu2D	109.69 (14)
Cu4D	O5D	Cu3D	108.09 (14)
Cu1D	O5D	Cu3D	109.72 (15)
Cu2D	O5D	Cu3D	110.18 (16)
O5D	Cu1D	O1D	178.80 (14)
O5D	Cu1D	Cl2D	85.36 (10)
O1D	Cu1D	Cl2D	95.12 (11)
O5D	Cu1D	Cl1D	84.66 (9)
O1D	Cu1D	Cl1D	94.16 (10)
Cl2D	Cu1D	Cl1D	121.49 (5)
O5D	Cu1D	Cl3D	85.15 (10)
O1D	Cu1D	Cl3D	95.54 (10)
Cl2D	Cu1D	Cl3D	119.73 (5)
Cl1D	Cu1D	Cl3D	116.58 (5)
O5D	Cu2D	O2D	178.70 (14)
O5D	Cu2D	Cl1D	84.89 (10)
O2D	Cu2D	Cl1D	93.97 (10)
O5D	Cu2D	Cl6D	85.16 (10)
O2D	Cu2D	Cl6D	95.98 (10)
Cl1D	Cu2D	Cl6D	121.61 (5)
O5D	Cu2D	Cl4D	84.28 (10)
O2D	Cu2D	Cl4D	95.80 (10)
Cl1D	Cu2D	Cl4D	121.81 (5)
Cl6D	Cu2D	Cl4D	114.11 (5)
O5D	Cu3D	O3D	179.13 (15)
O5D	Cu3D	Cl5D	85.85 (10)
O3D	Cu3D	Cl5D	93.58 (11)
O5D	Cu3D	Cl4D	85.60 (10)
O3D	Cu3D	Cl4D	95.25 (10)
Cl5D	Cu3D	Cl4D	119.28 (5)
O5D	Cu3D	Cl2D	84.66 (9)
O3D	Cu3D	Cl2D	95.03 (10)
Cl5D	Cu3D	Cl2D	118.35 (5)
Cl4D	Cu3D	Cl2D	120.43 (5)
O5D	Cu4D	O4D	179.39 (14)
O5D	Cu4D	Cl3D	86.02 (10)
O4D	Cu4D	Cl3D	93.56 (10)
O5D	Cu4D	Cl5D	85.90 (10)
O4D	Cu4D	Cl5D	94.70 (9)
Cl3D	Cu4D	Cl5D	121.03 (5)
O5D	Cu4D	Cl6D	84.42 (9)
O4D	Cu4D	Cl6D	95.43 (10)
Cl3D	Cu4D	Cl6D	121.39 (5)
Cl5D	Cu4D	Cl6D	115.71 (5)

Selected bond angles (°) in cluster E related to the geometry about the central O and Cu atoms.

Cu3E	O5E	Cu2E	108.83 (15)
Cu3E	O5E	Cu4E	108.77 (15)
Cu2E	O5E	Cu4E	109.59 (15)
Cu3E	O5E	Cu1E	110.02 (15)
Cu2E	O5E	Cu1E	110.94 (15)
Cu4E	O5E	Cu1E	108.65 (15)
O5E	Cu1E	O1E	176.99 (15)
O5E	Cu1E	Cl2E	84.91 (10)
O1E	Cu1E	Cl2E	96.47 (11)
O5E	Cu1E	Cl3E	85.21 (10)
O1E	Cu1E	Cl3E	91.80 (11)
Cl2E	Cu1E	Cl3E	122.98 (5)
O5E	Cu1E	Cl1E	83.71 (9)
O1E	Cu1E	Cl1E	97.97 (11)
Cl2E	Cu1E	Cl1E	117.59 (5)
Cl3E	Cu1E	Cl1E	116.83 (5)
O5E	Cu2E	O2E	178.81 (14)
O5E	Cu2E	Cl1E	84.75 (10)
O2E	Cu2E	Cl1E	94.06 (10)
O5E	Cu2E	Cl4E	85.35 (10)
O2E	Cu2E	Cl4E	95.19 (10)
Cl1E	Cu2E	Cl4E	120.51 (5)
O5E	Cu2E	Cl6E	85.19 (10)
O2E	Cu2E	Cl6E	95.59 (10)
Cl1E	Cu2E	Cl6E	126.53 (5)
Cl4E	Cu2E	Cl6E	110.75 (5)
O5E	Cu3E	O3E	178.12 (14)
O5E	Cu3E	Cl4E	85.90 (9)
O3E	Cu3E	Cl4E	93.75 (10)
O5E	Cu3E	Cl2E	84.58 (10)
O3E	Cu3E	Cl2E	94.10 (10)
Cl4E	Cu3E	Cl2E	123.81 (5)
O5E	Cu3E	Cl5E	86.00 (10)
O3E	Cu3E	Cl5E	95.79 (11)
Cl4E	Cu3E	Cl5E	118.14 (5)
Cl2E	Cu3E	Cl5E	116.21 (5)
O5E	Cu4E	O4E	179.07 (13)
O5E	Cu4E	Cl3E	85.66 (10)
O4E	Cu4E	Cl3E	93.99 (9)
O5E	Cu4E	Cl6E	85.08 (9)
O4E	Cu4E	Cl6E	94.36 (10)
Cl3E	Cu4E	Cl6E	120.61 (5)
O5E	Cu4E	Cl5E	86.16 (10)
O4E	Cu4E	Cl5E	94.75 (10)
Cl3E	Cu4E	Cl5E	122.69 (5)
Cl6E	Cu4E	Cl5E	114.98 (5)

Selected bond angles (°) in cluster F related to the geometry about the central O and Cu atoms.

Cu1F	O5F	Cu3F	109.41 (14)
Cu1F	O5F	Cu2F	111.17 (15)
Cu3F	O5F	Cu2F	109.16 (14)
Cu1F	O5F	Cu4F	108.82 (14)
Cu3F	O5F	Cu4F	109.06 (14)
Cu2F	O5F	Cu4F	109.18 (14)
O5F	Cu1F	O1F	177.00 (14)
O5F	Cu1F	Cl3F	85.13 (10)
O1F	Cu1F	Cl3F	91.91 (11)
O5F	Cu1F	Cl2F	85.22 (9)
O1F	Cu1F	Cl2F	95.83 (11)
Cl3F	Cu1F	Cl2F	119.02 (5)
O5F	Cu1F	Cl1F	83.51 (9)
O1F	Cu1F	Cl1F	98.40 (11)
Cl3F	Cu1F	Cl1F	119.62 (5)
Cl2F	Cu1F	Cl1F	118.76 (5)
O5F	Cu2F	O2F	177.55 (14)
O5F	Cu2F	Cl1F	84.86 (9)
O2F	Cu2F	Cl1F	97.47 (10)
O5F	Cu2F	Cl4F	85.40 (9)
O2F	Cu2F	Cl4F	94.11 (10)
Cl1F	Cu2F	Cl4F	118.36 (5)
O5F	Cu2F	Cl6F	84.71 (9)
O2F	Cu2F	Cl6F	93.33 (10)
Cl1F	Cu2F	Cl6F	124.68 (5)
Cl4F	Cu2F	Cl6F	114.67 (5)
O5F	Cu3F	O90F	166.2 (12)
O5F	Cu3F	O3F	176.35 (14)
O5F	Cu3F	Cl5F	86.34 (10)
O90F	Cu3F	Cl5F	79.8 (12)
O3F	Cu3F	Cl5F	95.30 (11)
O5F	Cu3F	Cl2F	85.74 (9)
O90F	Cu3F	Cl2F	100.3 (5)
O3F	Cu3F	Cl2F	96.39 (10)
Cl5F	Cu3F	Cl2F	116.76 (5)
O5F	Cu3F	Cl4F	85.74 (9)
O90F	Cu3F	Cl4F	102.3 (9)
O3F	Cu3F	Cl4F	90.65 (11)
Cl5F	Cu3F	Cl4F	124.81 (5)
Cl2F	Cu3F	Cl4F	116.94 (5)
O5F	Cu4F	O4F	179.40 (14)
O5F	Cu4F	Cl3F	85.27 (9)
O4F	Cu4F	Cl3F	94.91 (10)
O5F	Cu4F	Cl6F	85.36 (9)
O4F	Cu4F	Cl6F	94.96 (10)
Cl3F	Cu4F	Cl6F	128.33 (5)
O5F	Cu4F	Cl5F	84.69 (9)
O4F	Cu4F	Cl5F	94.72 (10)
Cl3F	Cu4F	Cl5F	113.99 (5)
Cl6F	Cu4F	Cl5F	115.51 (5)
Cu1F	O5F	Cu3F	109.41 (14)
Cu1F	O5F	Cu2F	111.17 (15)
Cu3F	O5F	Cu2F	109.16 (14)
Cu1F	O5F	Cu4F	108.82 (14)
Cu3F	O5F	Cu4F	109.06 (14)
Cu2F	O5F	Cu4F	109.18 (14)
O5F	Cu1F	O1F	177.00 (14)
O5F	Cu1F	Cl3F	85.13 (10)
O1F	Cu1F	Cl3F	91.91 (11)
O5F	Cu1F	Cl2F	85.22 (9)
O1F	Cu1F	Cl2F	95.83 (11)
Cl3F	Cu1F	Cl2F	119.02 (5)
O5F	Cu1F	Cl1F	83.51 (9)
O1F	Cu1F	Cl1F	98.40 (11)
Cl3F	Cu1F	Cl1F	119.62 (5)
Cl2F	Cu1F	Cl1F	118.76 (5)
O5F	Cu2F	O2F	177.55 (14)
O5F	Cu2F	Cl1F	84.86 (9)
O2F	Cu2F	Cl1F	97.47 (10)
O5F	Cu2F	Cl4F	85.40 (9)
O2F	Cu2F	Cl4F	94.11 (10)
Cl1F	Cu2F	Cl4F	118.36 (5)
O5F	Cu2F	Cl6F	84.71 (9)
O2F	Cu2F	Cl6F	93.33 (10)
Cl1F	Cu2F	Cl6F	124.68 (5)
Cl4F	Cu2F	Cl6F	114.67 (5)
O5F	Cu3F	O90F	166.2 (12)
O5F	Cu3F	O3F	176.35 (14)
O5F	Cu3F	Cl5F	86.34 (10)
O90F	Cu3F	Cl5F	79.8 (12)
O3F	Cu3F	Cl5F	95.30 (11)
O5F	Cu3F	Cl2F	85.74 (9)
O90F	Cu3F	Cl2F	100.3 (5)
O3F	Cu3F	Cl2F	96.39 (10)
Cl5F	Cu3F	Cl2F	116.76 (5)
O5F	Cu3F	Cl4F	85.74 (9)
O90F	Cu3F	Cl4F	102.3 (9)
O3F	Cu3F	Cl4F	90.65 (11)
Cl5F	Cu3F	Cl4F	124.81 (5)
Cl2F	Cu3F	Cl4F	116.94 (5)
O5F	Cu4F	O4F	179.40 (14)
O5F	Cu4F	Cl3F	85.27 (9)
O4F	Cu4F	Cl3F	94.91 (10)
O5F	Cu4F	Cl6F	85.36 (9)
O4F	Cu4F	Cl6F	94.96 (10)
Cl3F	Cu4F	Cl6F	128.33 (5)
O5F	Cu4F	Cl5F	84.69 (9)
O4F	Cu4F	Cl5F	94.72 (10)
Cl3F	Cu4F	Cl5F	113.99 (5)
Cl6F	Cu4F	Cl5F	115.51 (5)

Selected bond angles (°) for cluster G related to the geometry about the central O and Cu atoms.

Cu1G	O5G	Cu4G	108.64 (16)
Cu1G	O5G	Cu3G	108.66 (15)
Cu4G	O5G	Cu3G	108.99 (14)
Cu1G	O5G	Cu2G	110.09 (14)
Cu4G	O5G	Cu2G	110.53 (15)
Cu3G	O5G	Cu2G	109.89 (16)
O5G	Cu1G	O1G	177.91 (13)
O5G	Cu1G	Cl2G	85.84 (10)
O1G	Cu1G	Cl2G	95.96 (10)
O5G	Cu1G	Cl1G	84.44 (9)
O1G	Cu1G	Cl1G	93.68 (10)
Cl2G	Cu1G	Cl1G	122.84 (5)
O5G	Cu1G	Cl3G	85.67 (10)
O1G	Cu1G	Cl3G	94.44 (11)
Cl2G	Cu1G	Cl3G	116.90 (5)
Cl1G	Cu1G	Cl3G	118.27 (5)
O5G	Cu2G	O2G	179.02 (15)
O5G	Cu2G	Cl1G	84.91 (9)
O2G	Cu2G	Cl1G	94.48 (10)
O5G	Cu2G	Cl6G	85.00 (10)
O2G	Cu2G	Cl6G	95.97 (10)
Cl1G	Cu2G	Cl6G	121.53 (5)
O5G	Cu2G	Cl4G	84.57 (10)
O2G	Cu2G	Cl4G	95.13 (10)
Cl1G	Cu2G	Cl4G	122.84 (5)
Cl6G	Cu2G	Cl4G	113.21 (5)
O5G	Cu3G	O3G	177.39 (14)
O5G	Cu3G	Cl2G	85.42 (10)
O3G	Cu3G	Cl2G	92.55 (11)
O5G	Cu3G	Cl4G	85.54 (10)
O3G	Cu3G	Cl4G	94.35 (10)
Cl2G	Cu3G	Cl4G	125.87 (5)
O5G	Cu3G	Cl5G	85.32 (10)
O3G	Cu3G	Cl5G	97.04 (11)
Cl2G	Cu3G	Cl5G	115.13 (5)
Cl4G	Cu3G	Cl5G	117.10 (5)
O5G	Cu4G	O4G	176.74 (13)
O5G	Cu4G	Cl5G	86.03 (10)
O4G	Cu4G	Cl5G	97.19 (10)
O5G	Cu4G	Cl3G	86.46 (10)
O4G	Cu4G	Cl3G	92.38 (10)
Cl5G	Cu4G	Cl3G	119.45 (5)
O5G	Cu4G	Cl6G	84.44 (10)
O4G	Cu4G	Cl6G	93.59 (10)
Cl5G	Cu4G	Cl6G	117.24 (5)
Cl3G	Cu4G	Cl6G	121.60 (5)

Selected bond angles (°) for cluster H related to the geometry about the central O and Cu atoms.

Cu1H	O5H	Cu4H	110.48 (15)
Cu1H	O5H	Cu2H	109.54 (15)
Cu4H	O5H	Cu2H	109.22 (14)
Cu1H	O5H	Cu3H	109.39 (14)
Cu4H	O5H	Cu3H	108.55 (15)
Cu2H	O5H	Cu3H	109.64 (14)
O5H	Cu1H	O1H	178.76 (15)
O5H	Cu1H	Cl2H	84.78 (9)
O1H	Cu1H	Cl2H	94.24 (11)
O5H	Cu1H	Cl1H	85.32 (10)
O1H	Cu1H	Cl1H	95.86 (11)
Cl2H	Cu1H	Cl1H	124.41 (5)
O5H	Cu1H	Cl3H	83.42 (10)
O1H	Cu1H	Cl3H	96.44 (11)
Cl2H	Cu1H	Cl3H	119.55 (5)
Cl1H	Cu1H	Cl3H	113.32 (5)
O5H	Cu2H	O2H	178.24 (14)
O5H	Cu2H	Cl4H	85.93 (9)
O2H	Cu2H	Cl4H	94.52 (10)
O5H	Cu2H	Cl6H	85.67 (10)
O2H	Cu2H	Cl6H	95.62 (10)
Cl4H	Cu2H	Cl6H	117.27 (5)
O5H	Cu2H	Cl1H	84.97 (9)
O2H	Cu2H	Cl1H	93.36 (10)
Cl4H	Cu2H	Cl1H	123.31 (5)
Cl6H	Cu2H	Cl1H	117.61 (5)
O5H	Cu3H	O3H	178.46 (13)
O5H	Cu3H	Cl2H	85.08 (9)
O3H	Cu3H	Cl2H	96.09 (9)
O5H	Cu3H	Cl5H	86.01 (10)
O3H	Cu3H	Cl5H	92.49 (10)
Cl2H	Cu3H	Cl5H	126.74 (5)
O5H	Cu3H	Cl4H	84.34 (9)
O3H	Cu3H	Cl4H	96.04 (10)
Cl2H	Cu3H	Cl4H	115.23 (5)
Cl5H	Cu3H	Cl4H	115.91 (5)
O5H	Cu4H	O4H	178.53 (13)
O5H	Cu4H	Cl3H	85.92 (9)
O4H	Cu4H	Cl3H	95.54 (10)
O5H	Cu4H	Cl5H	85.37 (9)
O4H	Cu4H	Cl5H	93.71 (10)
Cl3H	Cu4H	Cl5H	124.13 (5)
O5H	Cu4H	Cl6H	85.18 (9)
O4H	Cu4H	Cl6H	94.07 (10)
Cl3H	Cu4H	Cl6H	123.96 (5)
Cl5H	Cu4H	Cl6H	110.07 (5)

Selected bond angles (°) for cluster I related to the geometry about the central O and Cu atoms.

Cu1I	O5I	Cu3I	109.96 (15)
Cu1I	O5I	Cu2I	109.98 (15)
Cu3I	O5I	Cu2I	108.46 (14)
Cu1I	O5I	Cu4I	109.34 (15)
Cu3I	O5I	Cu4I	109.06 (15)
Cu2I	O5I	Cu4I	110.04 (15)
O5I	Cu1I	O1I	177.62 (14)
O5I	Cu1I	Cl6I	84.43 (10)
O1I	Cu1I	Cl6I	93.23 (11)
O5I	Cu1I	Cl1I	84.72 (10)
O1I	Cu1I	Cl1I	96.84 (11)
Cl6I	Cu1I	Cl1I	118.85 (5)
O5I	Cu1I	Cl4I	84.39 (9)
O1I	Cu1I	Cl4I	96.34 (11)
Cl6I	Cu1I	Cl4I	118.68 (5)
Cl1I	Cu1I	Cl4I	119.77 (5)
O5I	Cu2I	O2I	177.70 (14)
O5I	Cu2I	Cl4I	85.29 (10)
O2I	Cu2I	Cl4I	96.81 (10)
O5I	Cu2I	Cl5I	84.97 (10)
O2I	Cu2I	Cl5I	93.08 (10)
Cl4I	Cu2I	Cl5I	123.26 (5)
O5I	Cu2I	Cl3I	85.78 (9)
O2I	Cu2I	Cl3I	94.22 (10)
Cl4I	Cu2I	Cl3I	113.60 (5)
Cl5I	Cu2I	Cl3I	121.17 (5)
O5I	Cu3I	O3I	177.51 (14)
O5I	Cu3I	Cl2I	86.04 (10)
O3I	Cu3I	Cl2I	91.81 (10)
O5I	Cu3I	Cl1I	85.15 (10)
O3I	Cu3I	Cl1I	97.06 (10)
Cl2I	Cu3I	Cl1I	121.81 (5)
O5I	Cu3I	Cl3I	86.29 (9)
O3I	Cu3I	Cl3I	93.90 (10)
Cl2I	Cu3I	Cl3I	124.17 (5)
Cl1I	Cu3I	Cl3I	112.45 (5)
O5I	Cu4I	O4I	178.57 (14)
O5I	Cu4I	Cl6I	85.63 (10)
O4I	Cu4I	Cl6I	93.86 (10)
O5I	Cu4I	Cl5I	84.46 (9)
O4I	Cu4I	Cl5I	96.93 (10)
Cl6I	Cu4I	Cl5I	124.72 (5)
O5I	Cu4I	Cl2I	84.80 (10)
O4I	Cu4I	Cl2I	94.36 (10)
Cl6I	Cu4I	Cl2I	122.18 (5)
Cl5I	Cu4I	Cl2I	110.81 (5)

Calculated τ values for Cu atoms in clusters A–I.

Cu1A	0.81	Cu2A	0.86	Cu3A	0.91	Cu4A	0.88
Cu1B	0.92	Cu2B	0.94	Cu3B	0.89	Cu4B	0.87
Cu1C	0.96	Cu2C	0.89	Cu3C	0.88	Cu4C	0.87
Cu1D	0.96	Cu2D	0.95	Cu3D	0.98	Cu4D	0.97
Cu1E	0.90	Cu2E	0.87	Cu3E	0.91	Cu4E	0.94
Cu1F	0.96	Cu2F	0.88	Cu3F	0.86	Cu4F	0.85
Cu1G	0.92	Cu2G	0.94	Cu3G	0.86	Cu4G	0.92
Cu1H	0.91	Cu2H	0.92	Cu3H	0.86	Cu4H	0.91
Cu1I	0.96	Cu2I	0.91	Cu3I	0.89	Cu4I	0.90

τ is calculated as 0.69 for cluster Cu3F with disordered atom O90F included.