μ-Bromido-dibromido-μ-hydroxido-bis-[(4S)-2-halo-6-(4-isopropyl-4,5-dihydro-oxazol-2-yl)pyridine]dicopper(II) (halo: Cl/Br = 3:1).

The crystal structure of the title complex, [Cu(2)Br(3)(OH)(C(11)H(13)Br(0.5)Cl(1.5)N(2)O)(2)], consists of two (2-halo-6-oxazolin-yl)pyridine·CuBr units bridged by a Br atom and a hydroxide group. The Cu(II) atoms are five-coordinate with an (N,N)BrCu(Br)(OH) distorted tetra-gonal-pyramidal core, and relatively short contacts to the bridging atoms (Cu-μ-OH and Cu-μ-Br). There are two symmetry-independent half-mol-ecules in the asymmetric unit, which differ only in the arrangement of the isopropyl group. The mol-ecules are located on a twofold rotation axes.

Related literature

For related literature, see: Chelucci & Thummel (2002 ▶); Fache et al. (2000 ▶); Karlin & Gultneh (1987 ▶); Kaim & Schwederski (1991 ▶); Lehn (1995 ▶); Mezei & Raptis (2004 ▶); Thompson et al. (1987 ▶); Walther et al. (1997 ▶).

Experimental

Crystal data

[Cu2Br3(OH)(C11H13Br0.5Cl1.5N2O)2]

M = 855.42

Monoclinic,

a = 23.2485 (5) Å

b = 7.98620 (10) Å

c = 17.9187 (4) Å

β = 119.9850 (9)°

V = 2881.63 (10) Å3

Z = 4

Mo Kα radiation

μ = 6.50 mm−1

T = 100 (2) K

0.20 × 0.20 × 0.10 mm

Data collection

Nonius KappaCCD diffractometer

Absorption correction: multi-scan (SORTAV; Blessing 1995 ▶) T min = 0.313, T max = 0.521

16751 measured reflections

6381 independent reflections

6086 reflections with I > 2σ(I)

R int = 0.046

Refinement

R[F 2 > 2σ(F 2)] = 0.029

wR(F 2) = 0.070

S = 1.06

6381 reflections

354 parameters

3 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.92 e Å−3

Δρmin = −0.90 e Å−3

Absolute structure: Flack (1983 ▶), 2880 Friedel pairs

Flack parameter: −0.002 (7)

Data collection: COLLECT (Nonius, 1997–2000 ▶); cell refinement: HKL SCALEPACK (Otwinowski & Minor 1997 ▶); data reduction: HKL DENZO (Otwinowski & Minor 1997 ▶) and SCALEPACK; program(s) used to solve structure: SIR97 (Altomare et al., 1997 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997 ▶); molecular graphics: PLATON (Spek, 2003 ▶); software used to prepare material for publication: SHELXL97 and local programs.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536807058862/sk3162sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536807058862/sk3162Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Cu2Br3(OH)(C11H13Br0.5Cl1.5N2O)2]	F000 = 1668
Mr = 855.42	Dx = 1.972 Mg m−3
Monoclinic, C2	Mo Kα radiation λ = 0.71073 Å
Hall symbol: C 2y	Cell parameters from 9966 reflections
a = 23.2485 (5) Å	θ = 1.0–27.5º
b = 7.98620 (10) Å	µ = 6.50 mm−1
c = 17.9187 (4) Å	T = 100 (2) K
β = 119.9850 (9)º	Irregular, green
V = 2881.63 (10) Å3	0.20 × 0.20 × 0.10 mm
Z = 4

Nonius KappaCCD diffractometer	6381 independent reflections
Radiation source: long-fine-focus sealed tube	6086 reflections with I > 2σ(I)
Monochromator: horizonally mounted graphite crystal	Rint = 0.046
Detector resolution: 9 pixels mm-1	θmax = 27.5º
T = 100(2) K	θmin = 2.4º
CCD scans	h = −29→26
Absorption correction: multi-scan(SORTAV; Blessing 1995)	k = −10→10
Tmin = 0.313, Tmax = 0.521	l = −19→23
16751 measured reflections

Refinement on F2	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H atoms treated by a mixture of independent and constrained refinement
R[F2 > 2σ(F2)] = 0.029	w = 1/[σ2(Fo2) + (0.0381P)2 + 2.2361P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.070	(Δ/σ)max = 0.003
S = 1.06	Δρmax = 0.92 e Å−3
6381 reflections	Δρmin = −0.90 e Å−3
354 parameters	Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
3 restraints	Extinction coefficient: 0.00132 (10)
Primary atom site location: structure-invariant direct methods	Absolute structure: Flack (1983), 2880 Friedel pairs
Secondary atom site location: difference Fourier map	Flack parameter: −0.002 (7)

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.

	x	y	z	Uiso*/Ueq	Occ. (<1)
C101	1.19690 (17)	0.7710 (4)	1.0541 (3)	0.0261 (8)
H101	1.2314	0.8603	1.0820	0.031*
C102	1.2139 (2)	0.6644 (6)	0.9968 (3)	0.0353 (9)
H10A	1.2622	0.6676	1.0178	0.042*
H10B	1.2003	0.5465	0.9957	0.042*
C103	1.12960 (19)	0.8306 (4)	0.9153 (3)	0.0268 (8)
C104	1.0775 (2)	0.9089 (5)	0.8353 (3)	0.0308 (9)
C105	1.0784 (3)	0.9087 (6)	0.7593 (3)	0.0432 (12)
H105	1.1125	0.8517	0.7549	0.052*
C106	1.0294 (3)	0.9923 (7)	0.6900 (3)	0.0498 (13)
H106	1.0298	0.9969	0.6373	0.060*
C107	0.9790 (3)	1.0704 (6)	0.6970 (3)	0.0490 (14)
H107	0.9444	1.1295	0.6500	0.059*
C108	0.9812 (2)	1.0585 (5)	0.7764 (3)	0.0342 (9)
C109	1.19183 (17)	0.6747 (4)	1.1239 (3)	0.0259 (8)
H109	1.1518	0.6008	1.0957	0.031*
C110	1.1840 (2)	0.7949 (5)	1.1846 (3)	0.0324 (8)
H11A	1.2213	0.8739	1.2093	0.049*
H11B	1.1836	0.7311	1.2311	0.049*
H11C	1.1422	0.8566	1.1525	0.049*
C111	1.25314 (19)	0.5648 (5)	1.1744 (3)	0.0378 (10)
H11D	1.2568	0.4860	1.1351	0.057*
H11E	1.2490	0.5023	1.2187	0.057*
H11F	1.2929	0.6355	1.2020	0.057*
Br11	1.140591 (18)	1.23282 (4)	1.04093 (2)	0.02632 (9)
Br12	1.0000	0.74718 (6)	1.0000	0.02323 (11)
Br15	0.9118 (6)	1.1501 (12)	0.7897 (7)	0.0444 (19)	0.25
Cl15	0.9179 (4)	1.1483 (8)	0.7855 (5)	0.0382 (12)	0.75
Cu11	1.06770 (2)	0.99397 (5)	0.99464 (3)	0.02011 (10)
N101	1.13358 (15)	0.8501 (4)	0.9880 (2)	0.0242 (6)
N102	1.02942 (16)	0.9853 (4)	0.8453 (2)	0.0279 (7)
O101	1.17680 (15)	0.7393 (4)	0.9118 (2)	0.0357 (7)
O102	1.0000	1.1102 (5)	1.0000	0.0269 (8)
H102	1.0000	1.215 (3)	1.0000	0.05 (2)*
C201	0.83962 (18)	0.8232 (4)	0.5075 (2)	0.0233 (7)
H201	0.8631	0.9209	0.4998	0.028*
C202	0.81820 (18)	0.8714 (5)	0.5736 (3)	0.0283 (8)
H20A	0.8190	0.9944	0.5807	0.034*
H20B	0.7728	0.8303	0.5547	0.034*
C203	0.90193 (17)	0.6897 (4)	0.6330 (2)	0.0211 (7)
C204	0.95679 (17)	0.5943 (4)	0.7024 (2)	0.0216 (7)
C205	0.96634 (19)	0.5830 (5)	0.7843 (3)	0.0268 (8)
H205	0.9363	0.6337	0.7990	0.032*
C206	1.0221 (2)	0.4941 (5)	0.8456 (3)	0.0308 (8)
H206	1.0296	0.4793	0.9024	0.037*
C207	1.0657 (2)	0.4288 (5)	0.8229 (3)	0.0314 (9)
H207	1.1043	0.3701	0.8637	0.038*
C208	1.05201 (18)	0.4507 (4)	0.7385 (3)	0.0258 (8)
C209	0.78238 (19)	0.7738 (5)	0.4198 (3)	0.0289 (8)
H209	0.7591	0.6755	0.4272	0.035*
C210	0.7332 (2)	0.9214 (5)	0.3837 (3)	0.0340 (9)
H21A	0.7564	1.0215	0.3808	0.051*
H21B	0.7149	0.9432	0.4215	0.051*
H21C	0.6971	0.8935	0.3258	0.051*
C211	0.8058 (2)	0.7261 (6)	0.3569 (3)	0.0438 (11)
H21D	0.8316	0.8186	0.3524	0.066*
H21E	0.7672	0.7034	0.3002	0.066*
H21F	0.8337	0.6257	0.3779	0.066*
Br21	0.868653 (17)	0.29997 (4)	0.49113 (3)	0.02563 (9)
Br22	1.0000	0.78245 (7)	0.5000	0.03828 (16)
Br25	1.1113 (5)	0.3707 (13)	0.7061 (8)	0.0325 (13)	0.25
Cl25	1.1087 (5)	0.3860 (12)	0.7098 (7)	0.0410 (15)	0.75
Cu21	0.94230 (2)	0.53885 (5)	0.52565 (3)	0.02187 (10)
N201	0.88948 (14)	0.6897 (4)	0.5554 (2)	0.0211 (6)
N202	0.99806 (15)	0.5291 (4)	0.6777 (2)	0.0234 (6)
O201	0.86664 (13)	0.7907 (3)	0.65432 (17)	0.0262 (5)
O202	1.0000	0.4219 (5)	0.5000	0.0282 (8)
H202	1.0000	0.317 (3)	0.5000	0.05 (2)*

	U11	U22	U33	U12	U13	U23
C101	0.0164 (17)	0.0216 (18)	0.041 (2)	−0.0028 (13)	0.0149 (16)	−0.0031 (15)
C102	0.032 (2)	0.033 (2)	0.054 (3)	0.0000 (17)	0.031 (2)	−0.0058 (19)
C103	0.0271 (19)	0.0214 (18)	0.043 (2)	−0.0101 (14)	0.0258 (18)	−0.0072 (15)
C104	0.035 (2)	0.0281 (19)	0.036 (2)	−0.0183 (17)	0.0226 (19)	−0.0106 (16)
C105	0.058 (3)	0.044 (2)	0.037 (2)	−0.032 (2)	0.031 (2)	−0.0140 (19)
C106	0.067 (4)	0.048 (3)	0.035 (2)	−0.036 (3)	0.026 (2)	−0.012 (2)
C107	0.056 (3)	0.040 (3)	0.028 (2)	−0.029 (2)	0.003 (2)	0.0048 (18)
C108	0.036 (2)	0.029 (2)	0.028 (2)	−0.0167 (17)	0.0080 (18)	0.0003 (15)
C109	0.0162 (16)	0.0192 (16)	0.037 (2)	0.0020 (13)	0.0098 (16)	0.0008 (14)
C110	0.0254 (19)	0.0320 (19)	0.036 (2)	0.0065 (16)	0.0121 (17)	−0.0001 (17)
C111	0.022 (2)	0.0246 (19)	0.053 (3)	0.0011 (16)	0.0090 (19)	−0.0005 (18)
Br11	0.02191 (18)	0.02086 (17)	0.0380 (2)	−0.00514 (13)	0.01633 (16)	−0.00369 (14)
Br12	0.0214 (2)	0.0200 (2)	0.0320 (3)	0.000	0.0161 (2)	0.000
Br15	0.033 (3)	0.043 (3)	0.044 (3)	−0.0047 (19)	0.0094 (19)	0.020 (2)
Cl15	0.0285 (17)	0.0254 (17)	0.042 (2)	−0.0022 (11)	0.0032 (15)	0.0027 (15)
Cu11	0.0165 (2)	0.0181 (2)	0.0272 (2)	−0.00104 (16)	0.01203 (18)	−0.00062 (16)
N101	0.0200 (15)	0.0221 (15)	0.0324 (17)	−0.0041 (11)	0.0145 (14)	−0.0039 (12)
N102	0.0321 (18)	0.0205 (15)	0.0292 (17)	−0.0113 (13)	0.0139 (14)	−0.0019 (13)
O101	0.0381 (16)	0.0355 (15)	0.0512 (18)	−0.0059 (13)	0.0356 (15)	−0.0109 (14)
O102	0.0208 (19)	0.0166 (18)	0.047 (2)	0.000	0.0195 (17)	0.000
C201	0.0204 (17)	0.0166 (16)	0.035 (2)	0.0031 (13)	0.0151 (16)	0.0042 (14)
C202	0.0216 (18)	0.0266 (18)	0.037 (2)	0.0065 (15)	0.0146 (17)	0.0001 (16)
C203	0.0189 (17)	0.0148 (16)	0.033 (2)	−0.0023 (12)	0.0154 (16)	−0.0016 (13)
C204	0.0185 (17)	0.0151 (15)	0.0294 (19)	−0.0060 (12)	0.0108 (15)	−0.0032 (13)
C205	0.028 (2)	0.0230 (18)	0.032 (2)	−0.0069 (15)	0.0170 (17)	−0.0047 (14)
C206	0.034 (2)	0.0247 (18)	0.030 (2)	−0.0062 (16)	0.0130 (17)	−0.0029 (15)
C207	0.027 (2)	0.0198 (17)	0.036 (2)	−0.0021 (14)	0.0076 (18)	0.0034 (15)
C208	0.0213 (18)	0.0187 (17)	0.038 (2)	−0.0016 (13)	0.0155 (17)	0.0046 (14)
C209	0.0258 (19)	0.0223 (19)	0.038 (2)	−0.0007 (14)	0.0152 (17)	0.0013 (15)
C210	0.0221 (19)	0.035 (2)	0.041 (2)	0.0059 (15)	0.0133 (18)	0.0032 (17)
C211	0.051 (3)	0.044 (2)	0.032 (2)	0.024 (2)	0.018 (2)	0.0063 (19)
Br21	0.01980 (17)	0.02221 (17)	0.0378 (2)	−0.00142 (13)	0.01654 (15)	0.00206 (14)
Br22	0.0538 (4)	0.0178 (3)	0.0731 (4)	0.000	0.0542 (4)	0.000
Br25	0.025 (2)	0.0273 (19)	0.052 (3)	0.0113 (16)	0.0246 (19)	0.0141 (16)
Cl25	0.032 (2)	0.038 (2)	0.059 (3)	0.0180 (14)	0.0271 (17)	0.0128 (16)
Cu21	0.0209 (2)	0.0171 (2)	0.0357 (2)	0.00226 (16)	0.0202 (2)	0.00261 (17)
N201	0.0202 (15)	0.0163 (14)	0.0312 (17)	0.0039 (11)	0.0160 (13)	0.0028 (11)
N202	0.0200 (15)	0.0189 (15)	0.0334 (17)	−0.0015 (11)	0.0148 (13)	0.0023 (12)
O201	0.0233 (13)	0.0276 (13)	0.0330 (14)	0.0021 (10)	0.0180 (11)	−0.0025 (11)
O202	0.029 (2)	0.0177 (18)	0.054 (2)	0.000	0.033 (2)	0.000

C101—N101	1.492 (5)	C201—N201	1.491 (4)
C101—C109	1.522 (5)	C201—C209	1.518 (5)
C101—C102	1.530 (5)	C201—C202	1.546 (5)
C101—H101	1.0000	C201—H201	1.0000
C102—O101	1.451 (6)	C202—O201	1.466 (5)
C102—H10A	0.9900	C202—H20A	0.9900
C102—H10B	0.9900	C202—H20B	0.9900
C103—N101	1.268 (5)	C203—N201	1.271 (5)
C103—O101	1.345 (5)	C203—O201	1.334 (4)
C103—C104	1.476 (6)	C203—C204	1.472 (5)
C104—N102	1.361 (5)	C204—N202	1.346 (5)
C104—C105	1.372 (6)	C204—C205	1.375 (5)
C105—C106	1.369 (8)	C205—C206	1.403 (6)
C105—H105	0.9500	C205—H205	0.9500
C106—C107	1.388 (8)	C206—C207	1.371 (6)
C106—H106	0.9500	C206—H206	0.9500
C107—C108	1.401 (7)	C207—C208	1.393 (6)
C107—H107	0.9500	C207—H207	0.9500
C108—N102	1.319 (5)	C208—N202	1.336 (5)
C108—Cl15	1.715 (11)	C208—Cl25	1.715 (10)
C108—Br15	1.891 (14)	C208—Br25	1.855 (12)
C109—C111	1.527 (5)	C209—C211	1.524 (6)
C109—C110	1.529 (5)	C209—C210	1.541 (5)
C109—H109	1.0000	C209—H209	1.0000
C110—H11A	0.9800	C210—H21A	0.9800
C110—H11B	0.9800	C210—H21B	0.9800
C110—H11C	0.9800	C210—H21C	0.9800
C111—H11D	0.9800	C211—H21D	0.9800
C111—H11E	0.9800	C211—H21E	0.9800
C111—H11F	0.9800	C211—H21F	0.9800
Br11—Cu11	2.4069 (5)	Br21—Cu21	2.4280 (5)
Br12—Cu11	2.5538 (5)	Br22—Cu21	2.5321 (6)
Br12—Cu11i	2.5538 (5)	Br22—Cu21ii	2.5321 (6)
Cu11—O102	1.8706 (19)	Cu21—O202	1.8705 (19)
Cu11—N101	1.966 (3)	Cu21—N201	1.974 (3)
Cu11—N102	2.362 (3)	Cu21—N202	2.362 (3)
O102—Cu11i	1.8706 (19)	O202—Cu21ii	1.8705 (19)
O102—H102	0.83 (2)	O202—H202	0.84 (2)
Cu11—Cu11i	3.2480 (8)	Cu21—Cu21ii	3.2415 (8)
N101—C101—C109	114.6 (3)	N201—C201—C209	115.9 (3)
N101—C101—C102	100.7 (3)	N201—C201—C202	101.1 (3)
C109—C101—C102	115.0 (3)	C209—C201—C202	114.0 (3)
N101—C101—H101	108.7	N201—C201—H201	108.5
C109—C101—H101	108.7	C209—C201—H201	108.5
C102—C101—H101	108.7	C202—C201—H201	108.5
O101—C102—C101	104.9 (3)	O201—C202—C201	105.3 (3)
O101—C102—H10A	110.8	O201—C202—H20A	110.7
C101—C102—H10A	110.8	C201—C202—H20A	110.7
O101—C102—H10B	110.8	O201—C202—H20B	110.7
C101—C102—H10B	110.8	C201—C202—H20B	110.7
H10A—C102—H10B	108.8	H20A—C202—H20B	108.8
N101—C103—O101	118.1 (4)	N201—C203—O201	118.5 (3)
N101—C103—C104	123.3 (3)	N201—C203—C204	123.4 (3)
O101—C103—C104	118.5 (3)	O201—C203—C204	118.0 (3)
N102—C104—C105	123.5 (4)	N202—C204—C205	124.4 (3)
N102—C104—C103	113.0 (3)	N202—C204—C203	112.5 (3)
C105—C104—C103	123.4 (4)	C205—C204—C203	123.0 (3)
C106—C105—C104	118.7 (5)	C204—C205—C206	117.5 (4)
C106—C105—H105	120.6	C204—C205—H205	121.2
C104—C105—H105	120.6	C206—C205—H205	121.2
C105—C106—C107	119.7 (4)	C207—C206—C205	119.4 (4)
C105—C106—H106	120.2	C207—C206—H206	120.3
C107—C106—H106	120.2	C205—C206—H206	120.3
C106—C107—C108	117.3 (4)	C206—C207—C208	118.3 (4)
C106—C107—H107	121.4	C206—C207—H207	120.9
C108—C107—H107	121.4	C208—C207—H207	120.9
N102—C108—C107	124.2 (5)	N202—C208—C207	123.8 (4)
N102—C108—Cl15	117.8 (4)	N202—C208—Cl25	116.5 (5)
C107—C108—Cl15	118.0 (5)	C207—C208—Cl25	119.7 (5)
N102—C108—Br15	115.7 (5)	N202—C208—Br25	116.6 (5)
C107—C108—Br15	120.1 (5)	C207—C208—Br25	119.6 (5)
C101—C109—C111	110.2 (3)	C201—C209—C211	112.2 (3)
C101—C109—C110	110.7 (3)	C201—C209—C210	108.6 (3)
C111—C109—C110	110.2 (3)	C211—C209—C210	110.2 (3)
C101—C109—H109	108.6	C201—C209—H209	108.6
C111—C109—H109	108.6	C211—C209—H209	108.6
C110—C109—H109	108.6	C210—C209—H209	108.6
C109—C110—H11A	109.5	C209—C210—H21A	109.5
C109—C110—H11B	109.5	C209—C210—H21B	109.5
H11A—C110—H11B	109.5	H21A—C210—H21B	109.5
C109—C110—H11C	109.5	C209—C210—H21C	109.5
H11A—C110—H11C	109.5	H21A—C210—H21C	109.5
H11B—C110—H11C	109.5	H21B—C210—H21C	109.5
C109—C111—H11D	109.5	C209—C211—H21D	109.5
C109—C111—H11E	109.5	C209—C211—H21E	109.5
H11D—C111—H11E	109.5	H21D—C211—H21E	109.5
C109—C111—H11F	109.5	C209—C211—H21F	109.5
H11D—C111—H11F	109.5	H21D—C211—H21F	109.5
H11E—C111—H11F	109.5	H21E—C211—H21F	109.5
Cu11—Br12—Cu11i	78.98 (2)	Cu21—Br22—Cu21ii	79.59 (2)
O102—Cu11—N101	173.95 (13)	O202—Cu21—N201	171.98 (13)
O102—Cu11—N102	102.86 (9)	O202—Cu21—N202	102.67 (8)
N101—Cu11—N102	77.15 (13)	N201—Cu21—N202	76.43 (11)
O102—Cu11—Br11	93.13 (10)	O202—Cu21—Br21	92.64 (10)
N101—Cu11—Br11	92.77 (9)	N201—Cu21—Br21	95.36 (9)
N102—Cu11—Br11	102.44 (8)	N202—Cu21—Br21	100.29 (7)
O102—Cu11—Br12	80.27 (10)	O202—Cu21—Br22	80.15 (10)
N101—Cu11—Br12	93.71 (9)	N201—Cu21—Br22	92.17 (9)
N102—Cu11—Br12	97.44 (8)	N202—Cu21—Br22	101.51 (7)
Br11—Cu11—Br12	160.00 (2)	Br21—Cu21—Br22	158.06 (2)
C103—N101—C101	107.5 (3)	C203—N201—C201	108.4 (3)
C103—N101—Cu11	118.4 (3)	C203—N201—Cu21	117.6 (2)
C101—N101—Cu11	133.5 (2)	C201—N201—Cu21	133.6 (2)
C108—N102—C104	116.5 (4)	C208—N202—C204	116.5 (3)
C108—N102—Cu11	135.2 (3)	C208—N202—Cu21	134.9 (3)
C104—N102—Cu11	107.1 (3)	C204—N202—Cu21	107.2 (2)
C103—O101—C102	104.3 (3)	C203—O201—C202	105.2 (3)
Cu11i—O102—Cu11	120.5 (2)	Cu21ii—O202—Cu21	120.1 (2)
Cu11i—O102—H102	119.76 (10)	Cu21ii—O202—H202	119.95 (10)
Cu11—O102—H102	119.76 (9)	Cu21—O202—H202	119.95 (10)
N101—C101—C102—O101	20.7 (3)	N201—C201—C202—O201	11.8 (3)
C109—C101—C102—O101	144.4 (3)	C209—C201—C202—O201	136.9 (3)
N101—C103—C104—N102	−8.1 (5)	N201—C203—C204—N202	9.8 (5)
O101—C103—C104—N102	174.5 (3)	O201—C203—C204—N202	−165.2 (3)
N101—C103—C104—C105	170.1 (4)	N201—C203—C204—C205	−174.0 (3)
O101—C103—C104—C105	−7.3 (5)	O201—C203—C204—C205	11.0 (5)
N102—C104—C105—C106	1.4 (6)	N202—C204—C205—C206	−1.6 (5)
C103—C104—C105—C106	−176.7 (4)	C203—C204—C205—C206	−177.4 (3)
C104—C105—C106—C107	−2.0 (6)	C204—C205—C206—C207	2.7 (5)
C105—C106—C107—C108	−0.1 (6)	C205—C206—C207—C208	−1.3 (6)
C106—C107—C108—N102	3.4 (6)	C206—C207—C208—N202	−1.3 (6)
C106—C107—C108—Cl15	−178.0 (4)	C206—C207—C208—Cl25	174.7 (5)
C106—C107—C108—Br15	−176.4 (5)	C206—C207—C208—Br25	177.9 (5)
N101—C101—C109—C111	166.2 (3)	N201—C201—C209—C211	−62.8 (4)
C102—C101—C109—C111	50.2 (4)	C202—C201—C209—C211	−179.6 (3)
N101—C101—C109—C110	−71.6 (4)	N201—C201—C209—C210	175.1 (3)
C102—C101—C109—C110	172.4 (3)	C202—C201—C209—C210	58.4 (4)
Cu11i—Br12—Cu11—O102	0.0	Cu21ii—Br22—Cu21—O202	0.0
Cu11i—Br12—Cu11—N101	−179.35 (10)	Cu21ii—Br22—Cu21—N201	177.65 (9)
Cu11i—Br12—Cu11—N102	−101.85 (9)	Cu21ii—Br22—Cu21—N202	101.06 (7)
Cu11i—Br12—Cu11—Br11	71.98 (6)	Cu21ii—Br22—Cu21—Br21	−72.21 (5)
O101—C103—N101—C101	4.5 (4)	O201—C203—N201—C201	5.6 (4)
C104—C103—N101—C101	−172.8 (3)	C204—C203—N201—C201	−169.4 (3)
O101—C103—N101—Cu11	176.6 (2)	O201—C203—N201—Cu21	−179.9 (2)
C104—C103—N101—Cu11	−0.8 (5)	C204—C203—N201—Cu21	5.1 (4)
C109—C101—N101—C103	−139.6 (3)	C209—C201—N201—C203	−134.4 (3)
C102—C101—N101—C103	−15.7 (4)	C202—C201—N201—C203	−10.6 (4)
C109—C101—N101—Cu11	50.1 (4)	C209—C201—N201—Cu21	52.3 (4)
C102—C101—N101—Cu11	174.0 (3)	C202—C201—N201—Cu21	176.1 (3)
N102—Cu11—N101—C103	5.2 (3)	N202—Cu21—N201—C203	−10.5 (3)
Br11—Cu11—N101—C103	−96.9 (3)	Br21—Cu21—N201—C203	88.8 (3)
Br12—Cu11—N101—C103	102.0 (3)	Br22—Cu21—N201—C203	−111.8 (3)
N102—Cu11—N101—C101	174.7 (3)	N202—Cu21—N201—C201	162.3 (3)
Br11—Cu11—N101—C101	72.6 (3)	Br21—Cu21—N201—C201	−98.3 (3)
Br12—Cu11—N101—C101	−88.5 (3)	Br22—Cu21—N201—C201	61.0 (3)
C107—C108—N102—C104	−4.0 (6)	C207—C208—N202—C204	2.4 (5)
Cl15—C108—N102—C104	177.3 (4)	Cl25—C208—N202—C204	−173.7 (5)
Br15—C108—N102—C104	175.7 (4)	Br25—C208—N202—C204	−176.8 (4)
C107—C108—N102—Cu11	161.2 (3)	C207—C208—N202—Cu21	−162.2 (3)
Cl15—C108—N102—Cu11	−17.5 (5)	Cl25—C208—N202—Cu21	21.7 (6)
Br15—C108—N102—Cu11	−19.1 (6)	Br25—C208—N202—Cu21	18.6 (6)
C105—C104—N102—C108	1.6 (5)	C205—C204—N202—C208	−0.9 (5)
C103—C104—N102—C108	179.8 (3)	C203—C204—N202—C208	175.3 (3)
C105—C104—N102—Cu11	−167.5 (3)	C205—C204—N202—Cu21	167.7 (3)
C103—C104—N102—Cu11	10.7 (3)	C203—C204—N202—Cu21	−16.1 (3)
O102—Cu11—N102—C108	11.1 (4)	O202—Cu21—N202—C208	−7.7 (3)
N101—Cu11—N102—C108	−175.1 (4)	N201—Cu21—N202—C208	−179.5 (3)
Br11—Cu11—N102—C108	−85.1 (4)	Br21—Cu21—N202—C208	87.4 (3)
Br12—Cu11—N102—C108	92.7 (4)	Br22—Cu21—N202—C208	−90.0 (3)
O102—Cu11—N102—C104	177.2 (2)	O202—Cu21—N202—C204	−173.2 (2)
N101—Cu11—N102—C104	−9.0 (2)	N201—Cu21—N202—C204	14.9 (2)
Br11—Cu11—N102—C104	81.0 (2)	Br21—Cu21—N202—C204	−78.1 (2)
Br12—Cu11—N102—C104	−101.1 (2)	Br22—Cu21—N202—C204	104.4 (2)
N101—C103—O101—C102	9.7 (4)	N201—C203—O201—C202	2.8 (4)
C104—C103—O101—C102	−172.8 (3)	C204—C203—O201—C202	178.0 (3)
C101—C102—O101—C103	−18.8 (4)	C201—C202—O201—C203	−9.4 (4)
N102—Cu11—O102—Cu11i	95.49 (8)	N202—Cu21—O202—Cu21ii	−99.70 (8)
Br11—Cu11—O102—Cu11i	−160.99 (2)	Br21—Cu21—O202—Cu21ii	159.13 (2)
Br12—Cu11—O102—Cu11i	0.0	Br22—Cu21—O202—Cu21ii	0.0

Br11—Cu11	2.4069 (5)
Br12—Cu11	2.5538 (5)
Cu11—O102	1.8706 (19)
Cu11—N101	1.966 (3)
Cu11—N102	2.362 (3)
Cu11—Cu11i	3.2480 (8)
Br21—Cu21	2.4280 (5)
Br22—Cu21	2.5321 (6)
Cu21—O202	1.8705 (19)
Cu21—N201	1.974 (3)
Cu21—N202	2.362 (3)
Cu21—Cu21ii	3.2415 (8)

Cu11—Br12—Cu11i	78.98 (2)
Cu11i—O102—Cu11	120.5 (2)
Cu21—Br22—Cu21ii	79.59 (2)
Cu21ii—O202—Cu21	120.1 (2)

Symmetry codes: (i) ; (ii) .