catena-Poly­[[tetrakis(2-allyl­tetrazole-κN⁴)-tetra-μ-chloro-tricopper(II)]-di-μ-chloro]

In the crystal structure of the title compound, [Cu₃Cl₆(C₄H₆N₄)₄]_n, there are three Cu atoms, six Cl atoms and four 2-allyl­tetrazole ligands in the asymmetric unit. The polyhedron of one Cu atom adopts a flattened octahedral geometry, with two 2-allyl­tetrazole ligands in the axial positions [Cu—N4 = 1.990 (2) and 1.991 (2) Å] and four Cl atoms in the equatorial positions [Cu—Cl = 2.4331 (9)–2.5426 (9) Å]. The polyhedra of the other two Cu atoms have a square-pyramidal geometry, with three basal sites occupied by Cl atoms [Cu—Cl = 2.2487 (9)–2.3163 (8) and 2.2569 (9)–2.3034 (9) Å] and one basal site occupied by a 2-allyl­tetrazole ligand [Cu—N4 = 2.028 (2) and 2.013 (2) Å]. A Cl atom lies in the apical position of either pyramid [Cu—Cl = 2.8360 (10) and 2.8046 (9) Å]. The possibility of including the tetrazole N3 atoms in the coordination sphere of the two Cu atoms is discussed. Neighbouring copper polyhedra share their edges with Cl atoms to form one-dimensional polymeric chains running along the a axis.

S1. Comment

Isomeric 1- and 2-monosubstituted tetrazoles are different in their physico-chemical properties (boiling and melting points, dipole moments, electron density distribution in the tetrazole ring etc.) and also in their ability to form complexes with transition metal salts (Butler, 1996; Gaponik, 1998). Therefore, 1-monosubstituted tetrazoles easily form complexes with copper(II) chloride, with CuCl₂L₂ complexes usually being produced. In contrast, special conditions are needed to obtain crystalline complexes with 2-monosubstituted tetrazoles (Gaponik, 2000), and hence their structures and properties have barely been investigated. Only one complex of copper(II) chloride with 2-substituted tetrazole has been structurally characterized, namely CuCl₂L₂, where L is 2-tertbuthyltetrazole (Lyakhov et al., 2003). Moreover, an inspection of the Cambridge Structural Database (Version 5.23, September 2002 release; Allen, 2002) with respect to 2-substituted tetrazole complexes revealed only one complex [NiL₆](BF₄)₂, where L is 2-methyltetrazole (van den Heuvel et al., 1983).

A new complex of copper(II) chloride, (I), with the unusual composition Cu₃Cl₆L₄, where L is 2-allyltetrazole (see Fig.1), has been synthesized, and this complex is investigated in the present work. There are four 2-allyltetrazole ligands in the asymmetric unit of (I), and these are denoted A, B, C and D.

Geometrical parameters of the tetrazole rings of the four 2-allyltetrazole molecules are very similar. The tetrazole rings are planar to within 0.002 (3) Å, 0.003 (3) Å, 0.003 (7) Å and 0.003 (3) Å for ligands A, B, C and D, respectively. The lengths of the corresponding bonds in the tetrazole rings of (I) lie in the following ranges (Å): N1—N2 [1.314 (4) − 1.322 (4)], N2—N3 [1.287 (3) − 1.308 (4)], N3—N4 [1.319 (3) − 1.327 (3)], N4—C5 [1.313 (4) − 1.338 (4)], N1—C5 [1.314 (4) − 1.326 (5)]. As can be seen, there is a reasonable agreement (within the 3.2σ range) between the corresponding bond distances of the rings.

There are three Cu atoms, Cu1, Cu2 and Cu3, in the asymmetric unit of (I). Atom Cu3 adopts a distorted flattened octahedral geometry (Table 1, Fig. 2), with two 2-allyltetrazole ligands in the axial positions [Cu3—N4A = 1.990 (2) and Cu3—N4B = 1.991 (2) Å]. Four Cl atoms occupy the equatorial positions, with Cu3—Cl distances in the range 2.4431 (9)–2.5426 (9) Å (Table 1).

The Cu1 and Cu2 atoms may be considered to be five-coordinated, with square pyramidal geometry (Table 1). For either atom, three basal sites are occupied by Cl atoms [Cu1—Cl = 2.2487 (9)–2.3163 (8) and Cu2—Cl = 2.2569 (9)–2.3034 (9) Å] and one basal site is occupied by a 2-allyltetrazole ligand [Cu1—N4D = 2.028 (2) and Cu2—N4C = 2.013 (2) Å]. Cl atoms lie in the apical positions of the pyramids [Cu1—Cl6ⁱ = 2.8360 (10) Å (symmetry code: (i) 1 + x, y, z) and Cu2—Cl3ⁱⁱ = 2.8046 (9) Å (symmetry code: (ii) x − 1, y, z)].

Note that within a range of 3.0 Å the Cu1 and Cu2 atoms adopt octahedral geometry, with additional N³ atoms in axial positions [Cu1—N3A = 2.898 (3) and Cu2—N3B = 2.926 (3) Å] (these long contacts are shown by dashed lines in the Scheme and in Fig. 1–3). However, according to the accepted point of view, the nucleophilic reactivity of 2-substituted terazoles is due to only the N⁴ atom, and hence the N³ atoms should not be included in the Cu-atom coordination sphere. Nevertheless, since the Cu1 and Cu2 atoms are surrounded symmetrically in the structure of (I), and because of the favourable orientation of the A and B tetrazole rings with reference to the Cu1 and Cu2 atoms, respectively, we can assume that atoms N3A and N3B might be included in the Cu1 and Cu2 octahedra. Note that all our attempts to synthesize CuCl₂L₂ and CuCl₂L complexes of copper(II) with 2-allyltetrazole failed because only (I) was crystallized. Additional Cu1—N3A and Cu2—N3B bonds may be responsible for the favourable formation of (I).

To investigate the Cu1—N³ and Cu2—N³ bonds in (I), DFT (Density Functional Theory) calculations of the crystal structure of (I), including the neighbouring Cu1 and Cu3 atoms with all their ligands, have been carried out within the B3LYP model (Becke, 1993) using NWChem package (Harrison et al., 2002). Because the Cu1 and Cu2 surroundings are similar, analogous calculations for the Cu2 atom were not performed. The Cu1 and Cu3 atoms were described by the standard LANL2DZ double-ξ basis set with the effective core potential given by Hay & Wadt (1985). The standard STO-3 G basis set (Hehre et al., 1969) was used for the remaining atoms. Both singlet and triplet multiplicities have been considered for the fragment. The calculations showed that the triplet state energy was 31.5 kcal/mol lower than that of the singlet. For the triplet state, the overlap population for the Cu1—N4D bond (0.237) is almost two times greater than that for the Cu1—N3A bond (0.132). Therefore, the Cu1—N3A interaction is considerably weaker than the Cu1—N4D interaction. However, the overlap population value of 0.132 is neither high enough to be meaningful nor too low to be negligible in the resolution of the problem of the coordination bond Cu1—N3A (and of Cu2—N3B). In view of this ambiguity, the calculation results may be considered to be only preliminary. More detailed calculations will be the topic of future investigation.

As can be seen from Fig. 2, adjacent copper polyhedra share their edges with Cl atoms to form one-dimensional polymeric chains running along the a axis. The separations between the neighbouring Cu atoms in such a chain are listed in Table 1. Only van der Waals interactions exist between the chains. The packing structure of (I) is shown in Fig. 3. There are no hydrogen bonds in the structure of (I).

S2. Experimental

The complex of composition CuCl₂L₂, where L is 2-allyltetrazole, was prepared by the method described by Degtyarik et al. (1985) and was used as the starting compound for the synthesis of (I). Dark-green single crystals of (I) were grown by the slow evaporation in air of a 2-propanol-butanol-ethyl orthoformate (%v/v 2:2:1) solution of the starting complex at 288–291 K for 3 d.

S3. Refinement

The H atoms were included in geometrically calculated positions, with C—H distances of 0.93–0.97 Å, and refined using a riding model, with U_iso(H) equal to 1.2U_eq of the corresponding C atom. The short C═C distances in the allyl groups [1.172 (5)–1.260 (5) Å] are the result of libration.

Computing details

Data collection: R3m Software (Nicolet, 1980); cell refinement: R3m Software; data reduction: R3m Software; program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP 3 for Windows (Farrugia, 1997), PLATON (Spek, 2003); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997).

Figures

	Fig. 1. An ORTEP-3 (Farrugia, 1997) plot of the asymmetric unit of (I). Displacement ellipsoids are drawn at the 50% probability level, and H atoms are shown as spheres of arbitrary radii.
	Fig. 2. A fragment of the crystal structure of (I), showing a one-dimensional polimeric chain running along the a axis.
	Fig. 3. The crystal packing of (I), viewed along the a axis.

(I)

Crystal data

[Cu3Cl6(C4H6N4)4]	F(000) = 1684
Mr = 843.83	Dx = 1.771 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 25 reflections
a = 9.7204 (14) Å	θ = 20.0–22.4°
b = 23.495 (2) Å	µ = 2.54 mm^−1
c = 14.541 (3) Å	T = 293 K
β = 107.578 (14)°	Prism, green
V = 3165.8 (9) Å^3	0.48 × 0.42 × 0.36 mm
Z = 4

Data collection

Nicolet R3m four-circle diffractometer	5828 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.017
Graphite monochromator	θmax = 27.6°, θmin = 1.7°
ω/2θ scans	h = 0→12
Absorption correction: ψ scan (North et al., 1968)	k = 0→30
Tmin = 0.326, Tmax = 0.401	l = −18→18
7987 measured reflections	3 standard reflections every 100 reflections
7316 independent reflections	intensity decay: none

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.036	H-atom parameters constrained
wR(F^2) = 0.093	w = 1/[σ^2(Fo^2) + (0.0429P)^2 + 3.0438P] where P = (Fo^2 + 2Fc^2)/3
S = 1.00	(Δ/σ)max < 0.001
7316 reflections	Δρmax = 0.73 e Å^−3
371 parameters	Δρmin = −0.39 e Å^−3
0 restraints	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.00246 (15)

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. 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.

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

	x	y	z	Uiso*/Ueq
Cu1	0.59362 (4)	0.089029 (15)	0.74915 (3)	0.03870 (10)
Cu2	−0.08675 (4)	0.169619 (15)	0.72721 (3)	0.03904 (10)
Cu3	0.25229 (3)	0.130488 (14)	0.73356 (3)	0.03531 (10)
Cl1	0.47668 (8)	0.09672 (3)	0.86343 (5)	0.04314 (17)
Cl2	0.43069 (8)	0.15234 (3)	0.65199 (6)	0.04847 (19)
Cl3	0.71926 (9)	0.08241 (4)	0.64265 (5)	0.04803 (18)
Cl4	0.02576 (8)	0.16361 (3)	0.60900 (6)	0.04560 (18)
Cl5	0.07723 (7)	0.10545 (3)	0.81877 (6)	0.04573 (18)
Cl6	−0.20640 (9)	0.17535 (3)	0.83792 (6)	0.04842 (18)
N1A	0.1344 (3)	−0.02557 (13)	0.5992 (3)	0.0693 (9)
N2A	0.2767 (3)	−0.02529 (11)	0.62630 (19)	0.0485 (6)
N3A	0.3355 (3)	0.02146 (11)	0.66951 (19)	0.0434 (6)
N4A	0.2252 (2)	0.05413 (10)	0.67148 (18)	0.0391 (5)
C5A	0.1058 (4)	0.02475 (15)	0.6285 (3)	0.0586 (9)
H5A	0.0129	0.0383	0.6201	0.070*
C6A	0.3639 (5)	−0.07421 (16)	0.6128 (3)	0.0623 (10)
H61A	0.3396	−0.0831	0.5447	0.075*
H62A	0.4654	−0.0642	0.6356	0.075*
C7A	0.3386 (6)	−0.1241 (2)	0.6650 (4)	0.0890 (15)
H7A	0.3644	−0.1198	0.7317	0.107*
C8A	0.2895 (7)	−0.1701 (2)	0.6355 (6)	0.127 (2)
H81A	0.2611	−0.1777	0.5697	0.152*
H82A	0.2800	−0.1980	0.6787	0.152*
N1B	0.3796 (3)	0.28023 (13)	0.8868 (2)	0.0619 (8)
N2B	0.2374 (3)	0.27955 (11)	0.8650 (2)	0.0482 (6)
N3B	0.1753 (3)	0.23598 (11)	0.81332 (19)	0.0427 (6)
N4B	0.2818 (2)	0.20564 (10)	0.79990 (18)	0.0401 (5)
C5B	0.4041 (3)	0.23329 (14)	0.8444 (3)	0.0537 (8)
H5B	0.4954	0.2209	0.8454	0.064*
C6B	0.1559 (4)	0.32428 (16)	0.8964 (3)	0.0652 (10)
H61B	0.1913	0.3279	0.9661	0.078*
H62B	0.0548	0.3137	0.8788	0.078*
C7B	0.1707 (6)	0.38009 (19)	0.8510 (4)	0.0866 (14)
H7B	0.1359	0.3822	0.7841	0.104*
C8B	0.2249 (8)	0.4237 (2)	0.8945 (5)	0.132 (3)
H81B	0.2610	0.4235	0.9614	0.158*
H82B	0.2296	0.4567	0.8602	0.158*
N1C	−0.3417 (3)	0.30261 (15)	0.5769 (3)	0.0819 (12)
N2C	−0.2080 (3)	0.32113 (10)	0.59997 (19)	0.0426 (6)
N3C	−0.1137 (3)	0.28579 (11)	0.6500 (2)	0.0454 (6)
N4C	−0.1865 (3)	0.24002 (11)	0.66037 (19)	0.0425 (6)
C5C	−0.3228 (4)	0.25111 (17)	0.6159 (3)	0.0773 (13)
H5C	−0.3977	0.2257	0.6122	0.093*
C6C	−0.1711 (4)	0.37777 (12)	0.5699 (2)	0.0469 (7)
H61C	−0.0701	0.3781	0.5728	0.056*
H62C	−0.2279	0.3846	0.5035	0.056*
C7C	−0.1980 (5)	0.42393 (16)	0.6313 (3)	0.0653 (10)
H7C	−0.1482	0.4224	0.6969	0.078*
C8C	−0.2827 (5)	0.46523 (16)	0.6023 (3)	0.0754 (12)
H81C	−0.3345	0.4684	0.5373	0.090*
H82C	−0.2934	0.4926	0.6458	0.090*
N1D	0.8491 (3)	−0.04190 (13)	0.9089 (3)	0.0688 (10)
N2D	0.7145 (3)	−0.05841 (10)	0.89316 (18)	0.0399 (5)
N3D	0.6188 (3)	−0.02350 (11)	0.84140 (19)	0.0436 (6)
N4D	0.6934 (3)	0.01907 (11)	0.82051 (19)	0.0420 (6)
C5D	0.8311 (4)	0.00703 (15)	0.8615 (3)	0.0642 (11)
H5D	0.9066	0.0302	0.8575	0.077*
C6D	0.6749 (4)	−0.11080 (13)	0.9350 (2)	0.0475 (7)
H61D	0.5711	−0.1117	0.9227	0.057*
H62D	0.7196	−0.1103	1.0044	0.057*
C7D	0.7208 (6)	−0.16282 (17)	0.8945 (4)	0.0889 (16)
H7D	0.6765	−0.1676	0.8287	0.107*
C8D	0.8027 (7)	−0.1990 (2)	0.9301 (5)	0.111 (2)
H81D	0.8521	−0.1976	0.9957	0.133*
H82D	0.8183	−0.2290	0.8927	0.133*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cu1	0.03434 (18)	0.03714 (19)	0.0475 (2)	0.00557 (14)	0.01673 (15)	0.00736 (15)
Cu2	0.03461 (18)	0.03530 (19)	0.0503 (2)	0.00570 (14)	0.01739 (16)	0.00936 (15)
Cu3	0.02696 (16)	0.03153 (17)	0.0469 (2)	−0.00110 (13)	0.01030 (14)	0.00147 (14)
Cl1	0.0404 (4)	0.0426 (4)	0.0521 (4)	0.0009 (3)	0.0224 (3)	0.0027 (3)
Cl2	0.0359 (4)	0.0468 (4)	0.0593 (5)	0.0021 (3)	0.0092 (3)	0.0167 (3)
Cl3	0.0493 (4)	0.0544 (4)	0.0441 (4)	−0.0002 (3)	0.0198 (3)	−0.0015 (3)
Cl4	0.0460 (4)	0.0430 (4)	0.0546 (4)	0.0027 (3)	0.0253 (3)	0.0072 (3)
Cl5	0.0323 (3)	0.0431 (4)	0.0566 (4)	0.0018 (3)	0.0058 (3)	0.0135 (3)
Cl6	0.0532 (4)	0.0494 (4)	0.0479 (4)	0.0030 (3)	0.0232 (3)	0.0037 (3)
N1A	0.0582 (19)	0.0485 (17)	0.084 (2)	0.0000 (14)	−0.0047 (17)	−0.0187 (16)
N2A	0.0535 (16)	0.0417 (14)	0.0458 (15)	0.0045 (12)	0.0084 (12)	−0.0033 (11)
N3A	0.0438 (14)	0.0386 (13)	0.0488 (14)	0.0023 (11)	0.0157 (12)	−0.0006 (11)
N4A	0.0334 (12)	0.0355 (12)	0.0462 (14)	0.0014 (10)	0.0086 (10)	0.0024 (10)
C5A	0.0425 (18)	0.0442 (18)	0.076 (2)	−0.0012 (15)	−0.0015 (17)	−0.0089 (17)
C6A	0.078 (3)	0.053 (2)	0.060 (2)	0.0146 (19)	0.0263 (19)	−0.0086 (17)
C7A	0.109 (4)	0.061 (3)	0.113 (4)	0.030 (3)	0.058 (3)	0.014 (3)
C8A	0.128 (5)	0.058 (3)	0.205 (8)	0.005 (3)	0.066 (5)	−0.010 (4)
N1B	0.0441 (16)	0.0520 (17)	0.085 (2)	−0.0048 (13)	0.0124 (15)	−0.0198 (16)
N2B	0.0516 (16)	0.0407 (14)	0.0548 (16)	0.0013 (12)	0.0196 (13)	−0.0047 (12)
N3B	0.0387 (13)	0.0384 (13)	0.0525 (15)	0.0016 (10)	0.0161 (11)	−0.0010 (11)
N4B	0.0308 (12)	0.0360 (12)	0.0530 (14)	0.0002 (10)	0.0122 (10)	0.0014 (11)
C5B	0.0349 (16)	0.0431 (17)	0.079 (2)	−0.0049 (13)	0.0110 (15)	−0.0126 (16)
C6B	0.068 (2)	0.055 (2)	0.080 (3)	0.0065 (18)	0.035 (2)	−0.0155 (19)
C7B	0.101 (4)	0.060 (3)	0.101 (4)	0.027 (3)	0.033 (3)	0.001 (2)
C8B	0.197 (7)	0.059 (3)	0.164 (6)	0.002 (4)	0.092 (6)	−0.002 (4)
N1C	0.0377 (15)	0.064 (2)	0.131 (3)	−0.0027 (14)	0.0049 (18)	0.047 (2)
N2C	0.0406 (13)	0.0354 (13)	0.0536 (15)	0.0027 (10)	0.0170 (12)	0.0092 (11)
N3C	0.0360 (13)	0.0366 (13)	0.0634 (17)	0.0039 (10)	0.0145 (12)	0.0073 (12)
N4C	0.0383 (13)	0.0403 (13)	0.0519 (14)	0.0054 (11)	0.0180 (11)	0.0097 (11)
C5C	0.0414 (19)	0.060 (2)	0.121 (4)	−0.0060 (17)	0.010 (2)	0.042 (2)
C6C	0.0562 (19)	0.0340 (15)	0.0569 (19)	0.0008 (13)	0.0267 (16)	0.0056 (13)
C7C	0.083 (3)	0.051 (2)	0.068 (2)	0.004 (2)	0.030 (2)	−0.0027 (18)
C8C	0.100 (3)	0.047 (2)	0.087 (3)	0.012 (2)	0.041 (3)	−0.003 (2)
N1D	0.0339 (14)	0.0584 (19)	0.112 (3)	0.0047 (13)	0.0183 (16)	0.0330 (18)
N2D	0.0375 (12)	0.0358 (13)	0.0478 (14)	0.0047 (10)	0.0152 (11)	0.0064 (11)
N3D	0.0383 (13)	0.0400 (13)	0.0523 (15)	0.0028 (11)	0.0135 (11)	0.0081 (11)
N4D	0.0395 (13)	0.0391 (13)	0.0525 (15)	0.0040 (11)	0.0215 (12)	0.0085 (11)
C5D	0.0385 (17)	0.051 (2)	0.107 (3)	0.0027 (15)	0.0267 (19)	0.028 (2)
C6D	0.0528 (18)	0.0378 (16)	0.0573 (19)	0.0012 (14)	0.0249 (15)	0.0096 (14)
C7D	0.133 (4)	0.046 (2)	0.116 (4)	0.007 (3)	0.080 (4)	0.006 (2)
C8D	0.167 (6)	0.056 (3)	0.148 (5)	0.043 (3)	0.103 (5)	0.030 (3)

Geometric parameters (Å, º)

Cu1—N4D	2.028 (2)	N3B—N4B	1.319 (3)
Cu1—Cl3	2.2487 (9)	N4B—C5B	1.338 (4)
Cu1—Cl1	2.2863 (9)	C5B—H5B	0.9300
Cu1—Cl2	2.3163 (8)	C6B—C7B	1.494 (6)
Cu1—Cl6^i	2.8360 (10)	C6B—H61B	0.9700
Cu1—N3A	2.898 (3)	C6B—H62B	0.9700
Cu1—Cu3	3.3992 (6)	C7B—C8B	1.234 (7)
Cu1—Cu2^i	3.7334 (6)	C7B—H7B	0.9300
Cu2—N4C	2.013 (2)	C8B—H81B	0.9300
Cu2—Cl6	2.2569 (9)	C8B—H82B	0.9300
Cu2—Cl5	2.3031 (8)	N1C—N2C	1.314 (4)
Cu2—Cl4	2.3034 (9)	N1C—C5C	1.326 (5)
Cu2—Cl3^ii	2.8046 (9)	N2C—N3C	1.287 (3)
Cu2—N3B	2.926 (3)	N2C—C6C	1.478 (4)
Cu2—Cu3	3.3957 (6)	N3C—N4C	1.321 (3)
Cu3—N4A	1.990 (2)	N4C—C5C	1.313 (4)
Cu3—N4B	1.991 (2)	C5C—H5C	0.9300
Cu3—Cl2	2.4331 (9)	C6C—C7C	1.478 (5)
Cu3—Cl5	2.4597 (9)	C6C—H61C	0.9700
Cu3—Cl4	2.5151 (10)	C6C—H62C	0.9700
Cu3—Cl1	2.5426 (9)	C7C—C8C	1.260 (5)
N1A—C5A	1.314 (4)	C7C—H7C	0.9300
N1A—N2A	1.319 (4)	C8C—H81C	0.9300
N2A—N3A	1.308 (4)	C8C—H82C	0.9300
N2A—C6A	1.476 (4)	N1D—N2D	1.317 (4)
N3A—N4A	1.327 (3)	N1D—C5D	1.325 (4)
N4A—C5A	1.333 (4)	N2D—N3D	1.297 (3)
C5A—H5A	0.9300	N2D—C6D	1.475 (4)
C6A—C7A	1.456 (6)	N3D—N4D	1.323 (3)
C6A—H61A	0.9700	N4D—C5D	1.320 (4)
C6A—H62A	0.9700	C5D—H5D	0.9300
C7A—C8A	1.208 (7)	C6D—C7D	1.483 (5)
C7A—H7A	0.9300	C6D—H61D	0.9700
C8A—H81A	0.9300	C6D—H62D	0.9700
C8A—H82A	0.9300	C7D—C8D	1.172 (7)
N1B—C5B	1.320 (4)	C7D—H7D	0.9300
N1B—N2B	1.322 (4)	C8D—H81D	0.9300
N2B—N3B	1.305 (4)	C8D—H82D	0.9300
N2B—C6B	1.470 (4)
N4D—Cu1—Cl3	91.20 (7)	N3A—N4A—Cu3	122.29 (19)
N4D—Cu1—Cl1	87.61 (7)	C5A—N4A—Cu3	131.1 (2)
Cl3—Cu1—Cl1	177.08 (3)	N1A—C5A—N4A	112.2 (3)
N4D—Cu1—Cl2	165.02 (8)	N1A—C5A—H5A	123.9
Cl3—Cu1—Cl2	92.17 (3)	N4A—C5A—H5A	123.9
Cl1—Cu1—Cl2	89.66 (3)	C7A—C6A—N2A	111.3 (3)
N4D—Cu1—Cl6^i	100.99 (8)	C7A—C6A—H61A	109.4
Cl3—Cu1—Cl6^i	85.57 (3)	N2A—C6A—H61A	109.4
Cl1—Cu1—Cl6^i	92.04 (3)	C7A—C6A—H62A	109.4
Cl2—Cu1—Cl6^i	93.83 (3)	N2A—C6A—H62A	109.4
N4D—Cu1—N3A	89.03 (9)	H61A—C6A—H62A	108.0
Cl3—Cu1—N3A	105.75 (6)	C8A—C7A—C6A	130.3 (6)
Cl1—Cu1—N3A	76.90 (6)	C8A—C7A—H7A	114.9
Cl2—Cu1—N3A	76.00 (6)	C6A—C7A—H7A	114.9
Cl6^i—Cu1—N3A	164.84 (5)	C7A—C8A—H81A	120.0
N4D—Cu1—Cu3	124.96 (7)	C7A—C8A—H82A	120.0
Cl3—Cu1—Cu3	134.11 (3)	H81A—C8A—H82A	120.0
Cl1—Cu1—Cu3	48.41 (2)	C5B—N1B—N2B	101.6 (3)
Cl2—Cu1—Cu3	45.69 (2)	N3B—N2B—N1B	114.6 (3)
Cl6^i—Cu1—Cu3	110.27 (2)	N3B—N2B—C6B	122.7 (3)
N3A—Cu1—Cu3	54.60 (5)	N1B—N2B—C6B	122.7 (3)
N4D—Cu1—Cu2^i	99.96 (7)	N2B—N3B—N4B	105.2 (2)
Cl3—Cu1—Cu2^i	48.48 (2)	N2B—N3B—Cu2	148.86 (19)
Cl1—Cu1—Cu2^i	129.14 (3)	N4B—N3B—Cu2	105.64 (17)
Cl2—Cu1—Cu2^i	93.18 (2)	N3B—N4B—C5B	106.8 (3)
Cl6^i—Cu1—Cu2^i	37.107 (18)	N3B—N4B—Cu3	123.11 (19)
N3A—Cu1—Cu2^i	152.36 (5)	C5B—N4B—Cu3	129.9 (2)
Cu3—Cu1—Cu2^i	132.042 (14)	N1B—C5B—N4B	111.9 (3)
N4C—Cu2—Cl6	91.06 (7)	N1B—C5B—H5B	124.1
N4C—Cu2—Cl5	164.89 (8)	N4B—C5B—H5B	124.1
Cl6—Cu2—Cl5	92.44 (3)	N2B—C6B—C7B	111.0 (3)
N4C—Cu2—Cl4	87.60 (7)	N2B—C6B—H61B	109.4
Cl6—Cu2—Cl4	177.49 (3)	C7B—C6B—H61B	109.4
Cl5—Cu2—Cl4	89.40 (3)	N2B—C6B—H62B	109.4
N4C—Cu2—Cl3^ii	103.10 (8)	C7B—C6B—H62B	109.4
Cl6—Cu2—Cl3^ii	86.18 (3)	H61B—C6B—H62B	108.0
Cl5—Cu2—Cl3^ii	91.80 (3)	C8B—C7B—C6B	125.8 (6)
Cl4—Cu2—Cl3^ii	92.06 (3)	C8B—C7B—H7B	117.1
N4C—Cu2—N3B	89.94 (9)	C6B—C7B—H7B	117.1
Cl6—Cu2—N3B	103.45 (6)	C7B—C8B—H81B	120.0
Cl5—Cu2—N3B	74.95 (5)	C7B—C8B—H82B	120.0
Cl4—Cu2—N3B	78.68 (6)	H81B—C8B—H82B	120.0
Cl3^ii—Cu2—N3B	163.76 (5)	N2C—N1C—C5C	101.2 (3)
N4C—Cu2—Cu3	123.89 (7)	N3C—N2C—N1C	114.3 (3)
Cl6—Cu2—Cu3	134.57 (3)	N3C—N2C—C6C	123.6 (3)
Cl5—Cu2—Cu3	46.41 (2)	N1C—N2C—C6C	122.2 (3)
Cl4—Cu2—Cu3	47.79 (2)	N2C—N3C—N4C	105.9 (2)
Cl3^ii—Cu2—Cu3	109.43 (2)	C5C—N4C—N3C	106.2 (3)
N3B—Cu2—Cu3	54.57 (5)	C5C—N4C—Cu2	131.9 (2)
N4A—Cu3—N4B	178.12 (10)	N3C—N4C—Cu2	121.82 (19)
N4A—Cu3—Cl2	89.16 (7)	N4C—C5C—N1C	112.3 (3)
N4B—Cu3—Cl2	91.68 (7)	N4C—C5C—H5C	123.8
N4A—Cu3—Cl5	89.76 (7)	N1C—C5C—H5C	123.8
N4B—Cu3—Cl5	89.34 (7)	C7C—C6C—N2C	112.3 (3)
Cl2—Cu3—Cl5	177.94 (3)	C7C—C6C—H61C	109.2
N4A—Cu3—Cl4	89.14 (7)	N2C—C6C—H61C	109.2
N4B—Cu3—Cl4	92.36 (7)	C7C—C6C—H62C	109.2
Cl2—Cu3—Cl4	100.46 (3)	N2C—C6C—H62C	109.2
Cl5—Cu3—Cl4	81.28 (3)	H61C—C6C—H62C	107.9
N4A—Cu3—Cl1	91.27 (7)	C8C—C7C—C6C	125.4 (4)
N4B—Cu3—Cl1	87.20 (7)	C8C—C7C—H7C	117.3
Cl2—Cu3—Cl1	81.38 (3)	C6C—C7C—H7C	117.3
Cl5—Cu3—Cl1	96.90 (3)	C7C—C8C—H81C	120.0
Cl4—Cu3—Cl1	178.13 (3)	C7C—C8C—H82C	120.0
N4A—Cu3—Cu2	103.72 (7)	H81C—C8C—H82C	120.0
N4B—Cu3—Cu2	76.69 (7)	N2D—N1D—C5D	101.3 (3)
Cl2—Cu3—Cu2	139.32 (2)	N3D—N2D—N1D	114.6 (2)
Cl5—Cu3—Cu2	42.701 (19)	N3D—N2D—C6D	122.4 (2)
Cl4—Cu3—Cu2	42.71 (2)	N1D—N2D—C6D	122.9 (3)
Cl1—Cu3—Cu2	135.44 (2)	N2D—N3D—N4D	105.3 (2)
N4A—Cu3—Cu1	76.40 (7)	C5D—N4D—N3D	106.6 (3)
N4B—Cu3—Cu1	103.11 (7)	C5D—N4D—Cu1	131.9 (2)
Cl2—Cu3—Cu1	42.94 (2)	N3D—N4D—Cu1	121.30 (19)
Cl5—Cu3—Cu1	135.05 (2)	N4D—C5D—N1D	112.2 (3)
Cl4—Cu3—Cu1	139.58 (2)	N4D—C5D—H5D	123.9
Cl1—Cu3—Cu1	42.26 (2)	N1D—C5D—H5D	123.9
Cu2—Cu3—Cu1	177.633 (14)	N2D—C6D—C7D	112.1 (3)
Cu1—Cl1—Cu3	89.32 (3)	N2D—C6D—H61D	109.2
Cu1—Cl2—Cu3	91.37 (3)	C7D—C6D—H61D	109.2
Cu2—Cl4—Cu3	89.50 (3)	N2D—C6D—H62D	109.2
Cu2—Cl5—Cu3	90.89 (3)	C7D—C6D—H62D	109.2
C5A—N1A—N2A	101.8 (3)	H61D—C6D—H62D	107.9
N3A—N2A—N1A	114.5 (3)	C8D—C7D—C6D	131.9 (6)
N3A—N2A—C6A	122.2 (3)	C8D—C7D—H7D	114.1
N1A—N2A—C6A	123.3 (3)	C6D—C7D—H7D	114.1
N2A—N3A—N4A	104.9 (2)	C7D—C8D—H81D	120.0
N2A—N3A—Cu1	148.4 (2)	C7D—C8D—H82D	120.0
N4A—N3A—Cu1	106.42 (17)	H81D—C8D—H82D	120.0
N3A—N4A—C5A	106.6 (3)
N4C—Cu2—Cu3—N4A	−120.65 (12)	Cl2—Cu1—N3A—N2A	131.0 (4)
Cl6—Cu2—Cu3—N4A	105.48 (8)	Cl6^i—Cu1—N3A—N2A	179.9 (3)
Cl5—Cu2—Cu3—N4A	74.28 (8)	Cu3—Cu1—N3A—N2A	176.0 (4)
Cl4—Cu2—Cu3—N4A	−73.31 (8)	Cu2^i—Cu1—N3A—N2A	61.6 (4)
Cl3^ii—Cu2—Cu3—N4A	1.12 (8)	N4D—Cu1—N3A—N4A	139.37 (19)
N3B—Cu2—Cu3—N4A	178.01 (10)	Cl3—Cu1—N3A—N4A	−129.66 (17)
N4C—Cu2—Cu3—N4B	61.24 (12)	Cl1—Cu1—N3A—N4A	51.60 (17)
Cl6—Cu2—Cu3—N4B	−72.62 (8)	Cl2—Cu1—N3A—N4A	−41.37 (17)
Cl5—Cu2—Cu3—N4B	−103.83 (8)	Cl6^i—Cu1—N3A—N4A	7.6 (3)
Cl4—Cu2—Cu3—N4B	108.59 (8)	Cu3—Cu1—N3A—N4A	3.72 (15)
Cl3^ii—Cu2—Cu3—N4B	−176.99 (8)	Cu2^i—Cu1—N3A—N4A	−110.72 (17)
N3B—Cu2—Cu3—N4B	−0.10 (10)	N2A—N3A—N4A—C5A	−0.3 (3)
N4C—Cu2—Cu3—Cl2	−15.52 (10)	Cu1—N3A—N4A—C5A	175.5 (2)
Cl6—Cu2—Cu3—Cl2	−149.39 (5)	N2A—N3A—N4A—Cu3	178.02 (19)
Cl5—Cu2—Cu3—Cl2	179.41 (5)	Cu1—N3A—N4A—Cu3	−6.1 (2)
Cl4—Cu2—Cu3—Cl2	31.82 (5)	Cl2—Cu3—N4A—N3A	46.6 (2)
Cl3^ii—Cu2—Cu3—Cl2	106.25 (4)	Cl5—Cu3—N4A—N3A	−131.7 (2)
N3B—Cu2—Cu3—Cl2	−76.86 (7)	Cl4—Cu3—N4A—N3A	147.1 (2)
N4C—Cu2—Cu3—Cl5	165.07 (10)	Cl1—Cu3—N4A—N3A	−34.8 (2)
Cl6—Cu2—Cu3—Cl5	31.20 (4)	Cu2—Cu3—N4A—N3A	−172.4 (2)
Cl4—Cu2—Cu3—Cl5	−147.59 (4)	Cu1—Cu3—N4A—N3A	5.2 (2)
Cl3^ii—Cu2—Cu3—Cl5	−73.16 (4)	Cl2—Cu3—N4A—C5A	−135.5 (3)
N3B—Cu2—Cu3—Cl5	103.73 (7)	Cl5—Cu3—N4A—C5A	46.2 (3)
N4C—Cu2—Cu3—Cl4	−47.34 (10)	Cl4—Cu3—N4A—C5A	−35.1 (3)
Cl6—Cu2—Cu3—Cl4	178.79 (4)	Cl1—Cu3—N4A—C5A	143.1 (3)
Cl5—Cu2—Cu3—Cl4	147.59 (4)	Cu2—Cu3—N4A—C5A	5.5 (3)
Cl3^ii—Cu2—Cu3—Cl4	74.43 (3)	Cu1—Cu3—N4A—C5A	−177.0 (3)
N3B—Cu2—Cu3—Cl4	−108.68 (7)	N2A—N1A—C5A—N4A	−0.2 (4)
N4C—Cu2—Cu3—Cl1	133.07 (10)	N3A—N4A—C5A—N1A	0.3 (4)
Cl6—Cu2—Cu3—Cl1	−0.80 (5)	Cu3—N4A—C5A—N1A	−177.8 (3)
Cl5—Cu2—Cu3—Cl1	−32.00 (4)	N3A—N2A—C6A—C7A	116.3 (4)
Cl4—Cu2—Cu3—Cl1	−179.59 (4)	N1A—N2A—C6A—C7A	−61.2 (5)
Cl3^ii—Cu2—Cu3—Cl1	−105.16 (4)	N2A—C6A—C7A—C8A	117.5 (6)
N3B—Cu2—Cu3—Cl1	71.73 (7)	C5B—N1B—N2B—N3B	0.1 (4)
N4D—Cu1—Cu3—N4A	−60.97 (12)	C5B—N1B—N2B—C6B	−179.8 (3)
Cl3—Cu1—Cu3—N4A	74.54 (8)	N1B—N2B—N3B—N4B	0.2 (4)
Cl1—Cu1—Cu3—N4A	−107.46 (8)	C6B—N2B—N3B—N4B	−179.9 (3)
Cl2—Cu1—Cu3—N4A	103.76 (8)	N1B—N2B—N3B—Cu2	171.8 (3)
Cl6^i—Cu1—Cu3—N4A	178.63 (7)	C6B—N2B—N3B—Cu2	−8.3 (6)
N3A—Cu1—Cu3—N4A	−2.45 (10)	N4C—Cu2—N3B—N2B	55.4 (4)
Cu2^i—Cu1—Cu3—N4A	142.89 (7)	Cl6—Cu2—N3B—N2B	−35.7 (4)
N4D—Cu1—Cu3—N4B	117.16 (12)	Cl5—Cu2—N3B—N2B	−124.6 (4)
Cl3—Cu1—Cu3—N4B	−107.33 (8)	Cl4—Cu2—N3B—N2B	142.9 (4)
Cl1—Cu1—Cu3—N4B	70.67 (8)	Cl3^ii—Cu2—N3B—N2B	−160.9 (3)
Cl2—Cu1—Cu3—N4B	−78.11 (8)	Cu3—Cu2—N3B—N2B	−171.4 (4)
Cl6^i—Cu1—Cu3—N4B	−3.24 (8)	N4C—Cu2—N3B—N4B	−133.10 (19)
N3A—Cu1—Cu3—N4B	175.68 (10)	Cl6—Cu2—N3B—N4B	135.82 (17)
Cu2^i—Cu1—Cu3—N4B	−38.98 (8)	Cl5—Cu2—N3B—N4B	46.91 (17)
N4D—Cu1—Cu3—Cl2	−164.73 (10)	Cl4—Cu2—N3B—N4B	−45.54 (17)
Cl3—Cu1—Cu3—Cl2	−29.22 (5)	Cl3^ii—Cu2—N3B—N4B	10.7 (3)
Cl1—Cu1—Cu3—Cl2	148.78 (4)	Cu3—Cu2—N3B—N4B	0.15 (15)
Cl6^i—Cu1—Cu3—Cl2	74.87 (4)	N2B—N3B—N4B—C5B	−0.4 (3)
N3A—Cu1—Cu3—Cl2	−106.21 (7)	Cu2—N3B—N4B—C5B	−175.9 (2)
Cu2^i—Cu1—Cu3—Cl2	39.13 (3)	N2B—N3B—N4B—Cu3	175.23 (19)
N4D—Cu1—Cu3—Cl5	14.65 (10)	Cu2—N3B—N4B—Cu3	−0.2 (2)
Cl3—Cu1—Cu3—Cl5	150.16 (4)	Cl2—Cu3—N4B—N3B	140.8 (2)
Cl1—Cu1—Cu3—Cl5	−31.84 (4)	Cl5—Cu3—N4B—N3B	−41.0 (2)
Cl2—Cu1—Cu3—Cl5	179.38 (4)	Cl4—Cu3—N4B—N3B	40.3 (2)
Cl6^i—Cu1—Cu3—Cl5	−105.75 (4)	Cl1—Cu3—N4B—N3B	−137.9 (2)
N3A—Cu1—Cu3—Cl5	73.17 (7)	Cu2—Cu3—N4B—N3B	0.2 (2)
Cu2^i—Cu1—Cu3—Cl5	−141.49 (3)	Cu1—Cu3—N4B—N3B	−177.4 (2)
N4D—Cu1—Cu3—Cl4	−133.03 (10)	Cl2—Cu3—N4B—C5B	−44.6 (3)
Cl3—Cu1—Cu3—Cl4	2.47 (5)	Cl5—Cu3—N4B—C5B	133.6 (3)
Cl1—Cu1—Cu3—Cl4	−179.53 (4)	Cl4—Cu3—N4B—C5B	−145.2 (3)
Cl2—Cu1—Cu3—Cl4	31.69 (5)	Cl1—Cu3—N4B—C5B	36.7 (3)
Cl6^i—Cu1—Cu3—Cl4	106.56 (4)	Cu2—Cu3—N4B—C5B	174.8 (3)
N3A—Cu1—Cu3—Cl4	−74.52 (7)	Cu1—Cu3—N4B—C5B	−2.8 (3)
Cu2^i—Cu1—Cu3—Cl4	70.82 (4)	N2B—N1B—C5B—N4B	−0.4 (4)
N4D—Cu1—Cu3—Cl1	46.49 (10)	N3B—N4B—C5B—N1B	0.5 (4)
Cl3—Cu1—Cu3—Cl1	−178.00 (4)	Cu3—N4B—C5B—N1B	−174.7 (2)
Cl2—Cu1—Cu3—Cl1	−148.78 (4)	N3B—N2B—C6B—C7B	−114.8 (4)
Cl6^i—Cu1—Cu3—Cl1	−73.91 (3)	N1B—N2B—C6B—C7B	65.1 (5)
N3A—Cu1—Cu3—Cl1	105.01 (7)	N2B—C6B—C7B—C8B	−118.0 (6)
Cu2^i—Cu1—Cu3—Cl1	−109.65 (3)	C5C—N1C—N2C—N3C	−1.1 (5)
N4D—Cu1—Cl1—Cu3	−143.49 (8)	C5C—N1C—N2C—C6C	178.5 (3)
Cl2—Cu1—Cl1—Cu3	21.77 (3)	N1C—N2C—N3C—N4C	1.2 (4)
Cl6^i—Cu1—Cl1—Cu3	115.59 (3)	C6C—N2C—N3C—N4C	−178.5 (3)
N3A—Cu1—Cl1—Cu3	−53.93 (5)	N2C—N3C—N4C—C5C	−0.6 (4)
Cu2^i—Cu1—Cl1—Cu3	115.60 (3)	N2C—N3C—N4C—Cu2	176.3 (2)
N4A—Cu3—Cl1—Cu1	68.03 (7)	Cl6—Cu2—N4C—C5C	−63.3 (4)
N4B—Cu3—Cl1—Cu1	−113.06 (7)	Cl5—Cu2—N4C—C5C	−166.7 (3)
Cl2—Cu3—Cl1—Cu1	−20.93 (3)	Cl4—Cu2—N4C—C5C	114.5 (4)
Cl5—Cu3—Cl1—Cu1	157.95 (3)	Cl3^ii—Cu2—N4C—C5C	23.0 (4)
Cu2—Cu3—Cl1—Cu1	179.17 (2)	N3B—Cu2—N4C—C5C	−166.8 (4)
N4D—Cu1—Cl2—Cu3	56.6 (3)	Cu3—Cu2—N4C—C5C	147.6 (4)
Cl3—Cu1—Cl2—Cu3	159.47 (3)	Cl6—Cu2—N4C—N3C	120.6 (2)
Cl1—Cu1—Cl2—Cu3	−22.81 (3)	Cl5—Cu2—N4C—N3C	17.2 (5)
Cl6^i—Cu1—Cl2—Cu3	−114.83 (3)	Cl4—Cu2—N4C—N3C	−61.5 (2)
N3A—Cu1—Cl2—Cu3	53.77 (6)	Cl3^ii—Cu2—N4C—N3C	−153.1 (2)
Cu2^i—Cu1—Cl2—Cu3	−152.00 (2)	N3B—Cu2—N4C—N3C	17.1 (2)
N4A—Cu3—Cl2—Cu1	−70.76 (7)	Cu3—Cu2—N4C—N3C	−28.5 (3)
N4B—Cu3—Cl2—Cu1	107.55 (8)	N3C—N4C—C5C—N1C	0.0 (5)
Cl4—Cu3—Cl2—Cu1	−159.73 (3)	Cu2—N4C—C5C—N1C	−176.6 (3)
Cl1—Cu3—Cl2—Cu1	20.65 (3)	N2C—N1C—C5C—N4C	0.7 (6)
Cu2—Cu3—Cl2—Cu1	178.94 (2)	N3C—N2C—C6C—C7C	−101.1 (4)
N4C—Cu2—Cl4—Cu3	142.34 (8)	N1C—N2C—C6C—C7C	79.3 (5)
Cl5—Cu2—Cl4—Cu3	−22.84 (3)	N2C—C6C—C7C—C8C	−120.3 (4)
Cl3^ii—Cu2—Cl4—Cu3	−114.63 (3)	C5D—N1D—N2D—N3D	−0.5 (4)
N3B—Cu2—Cl4—Cu3	51.92 (5)	C5D—N1D—N2D—C6D	−177.4 (3)
N4A—Cu3—Cl4—Cu2	111.47 (7)	N1D—N2D—N3D—N4D	0.3 (4)
N4B—Cu3—Cl4—Cu2	−67.39 (7)	C6D—N2D—N3D—N4D	177.3 (3)
Cl2—Cu3—Cl4—Cu2	−159.54 (3)	N2D—N3D—N4D—C5D	0.0 (4)
Cl5—Cu3—Cl4—Cu2	21.58 (3)	N2D—N3D—N4D—Cu1	−174.89 (19)
Cu1—Cu3—Cl4—Cu2	179.11 (2)	Cl3—Cu1—N4D—C5D	57.0 (3)
N4C—Cu2—Cl5—Cu3	−55.1 (3)	Cl1—Cu1—N4D—C5D	−120.3 (3)
Cl6—Cu2—Cl5—Cu3	−158.32 (3)	Cl2—Cu1—N4D—C5D	160.0 (3)
Cl4—Cu2—Cl5—Cu3	23.39 (3)	Cl6^i—Cu1—N4D—C5D	−28.7 (4)
Cl3^ii—Cu2—Cl5—Cu3	115.43 (3)	N3A—Cu1—N4D—C5D	162.8 (3)
N3B—Cu2—Cl5—Cu3	−55.05 (5)	Cu3—Cu1—N4D—C5D	−153.2 (3)
N4A—Cu3—Cl5—Cu2	−110.75 (7)	Cu2^i—Cu1—N4D—C5D	9.1 (4)
N4B—Cu3—Cl5—Cu2	70.91 (7)	Cl3—Cu1—N4D—N3D	−129.6 (2)
Cl4—Cu3—Cl5—Cu2	−21.58 (3)	Cl1—Cu1—N4D—N3D	53.1 (2)
Cl1—Cu3—Cl5—Cu2	158.00 (3)	Cl2—Cu1—N4D—N3D	−26.6 (5)
Cu1—Cu3—Cl5—Cu2	178.95 (2)	Cl6^i—Cu1—N4D—N3D	144.7 (2)
C5A—N1A—N2A—N3A	0.0 (4)	N3A—Cu1—N4D—N3D	−23.8 (2)
C5A—N1A—N2A—C6A	177.7 (3)	Cu3—Cu1—N4D—N3D	20.2 (3)
N1A—N2A—N3A—N4A	0.2 (4)	Cu2^i—Cu1—N4D—N3D	−177.5 (2)
C6A—N2A—N3A—N4A	−177.5 (3)	N3D—N4D—C5D—N1D	−0.3 (5)
N1A—N2A—N3A—Cu1	−172.2 (3)	Cu1—N4D—C5D—N1D	173.8 (3)
C6A—N2A—N3A—Cu1	10.1 (6)	N2D—N1D—C5D—N4D	0.5 (5)
N4D—Cu1—N3A—N2A	−48.3 (4)	N3D—N2D—C6D—C7D	115.6 (4)
Cl3—Cu1—N3A—N2A	42.7 (4)	N1D—N2D—C6D—C7D	−67.7 (5)
Cl1—Cu1—N3A—N2A	−136.1 (4)	N2D—C6D—C7D—C8D	116.6 (6)

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