| Literature DB >> 23723779 |
Takashi Okubo1, Haruho Anma, Masahiko Maekawa, Takayoshi Kuroda-Sowa.
Abstract
The reaction of Cu(Hm-dtc)2 (H2m-dtc is azepane-1-carbodi-thioic acid), CuBr2 and methyl iso-thio-cyanate yielded the title mixed-valence nona-nuclear Cu(I)/Cu(II) compound, [Cu9Br5(C7H12NS2)5] or [Cu(I) 8Cu(II)Br5(Hm-dtc)5], encapsulating a bromide anion in the center of the Cu9Br4S10 cluster cage. The cage consists of a mononuclear Cu(II) unit [Cu(Hm-dtc)2], three μ4-bridging Hm-dtc(-) ligands, eight Cu(I) ions with distorted tetra-hedral or trigonal pyramidal coordination geometries and four μ2-bridging bromide anions. The incorporated central bromide anion inter-acts with nine Cu ions with shorter Cu-Br separations than the sum of the van der Waals radii for Cu and Br.Entities:
Year: 2013 PMID: 23723779 PMCID: PMC3647813 DOI: 10.1107/S1600536813009938
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Cu9Br5(C7H12NS2)5] | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 39225 reflections |
| θ = 3.0–27.5° | |
| µ = 7.59 mm−1 | |
| β = 107.0411 (12)° | Platelet, black |
| 0.90 × 0.60 × 0.10 mm | |
| Rigaku R-AXIS RAPID diffractometer | 10468 reflections with |
| Detector resolution: 10.000 pixels mm-1 | |
| ω scans | θmax = 27.4° |
| Absorption correction: multi-scan ( | |
| 50620 measured reflections | |
| 12284 independent reflections |
| Refinement on | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H-atom parameters constrained | |
| 12284 reflections | (Δ/σ)max = 0.001 |
| 577 parameters | Δρmax = 2.35 e Å−3 |
| 0 restraints | Δρmin = −1.54 e Å−3 |
| Primary atom site location: structure-invariant direct methods |
| Geometry. ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY |
| Refinement. Refinement was performed using all reflections. The weighted |
| Br1 | 0.83480 (3) | 0.752744 (17) | 0.342115 (17) | 0.01264 (10) | |
| Br2 | 1.05003 (4) | 0.73843 (2) | 0.510018 (18) | 0.01870 (11) | |
| Br3 | 0.71501 (4) | 0.70024 (2) | 0.480276 (17) | 0.01870 (11) | |
| Br4 | 0.97088 (4) | 0.73887 (2) | 0.205891 (19) | 0.02023 (11) | |
| Br5 | 0.64700 (4) | 0.69961 (2) | 0.176201 (17) | 0.01830 (11) | |
| Cu1 | 0.78873 (4) | 0.90125 (2) | 0.33960 (2) | 0.01269 (11) | |
| Cu2 | 1.01895 (5) | 0.81987 (3) | 0.43023 (2) | 0.01939 (13) | |
| Cu3 | 0.66494 (5) | 0.77014 (2) | 0.38973 (2) | 0.01642 (12) | |
| Cu4 | 0.62624 (5) | 0.77669 (2) | 0.25165 (2) | 0.01925 (13) | |
| Cu5 | 0.97677 (5) | 0.81648 (3) | 0.28617 (2) | 0.01810 (12) | |
| Cu6 | 1.01363 (5) | 0.66851 (2) | 0.41946 (2) | 0.01943 (13) | |
| Cu7 | 0.74807 (5) | 0.63882 (3) | 0.39690 (2) | 0.01997 (13) | |
| Cu8 | 0.72960 (5) | 0.63493 (3) | 0.26670 (2) | 0.02182 (13) | |
| Cu9 | 0.98315 (5) | 0.66960 (2) | 0.29596 (2) | 0.01854 (12) | |
| S1 | 0.92264 (9) | 0.91814 (5) | 0.43167 (4) | 0.01244 (19) | |
| S2 | 0.68894 (9) | 0.88625 (5) | 0.40913 (4) | 0.0141 (2) | |
| S3 | 0.65022 (9) | 0.89096 (5) | 0.24809 (4) | 0.0129 (2) | |
| S4 | 0.88384 (9) | 0.91962 (5) | 0.26776 (4) | 0.01251 (19) | |
| S5 | 1.12696 (9) | 0.82925 (4) | 0.36730 (4) | 0.0144 (2) | |
| S6 | 1.14812 (9) | 0.67241 (5) | 0.37109 (5) | 0.0157 (2) | |
| S7 | 0.51331 (9) | 0.75009 (4) | 0.30896 (4) | 0.0137 (2) | |
| S8 | 0.60532 (9) | 0.60369 (5) | 0.31834 (5) | 0.0171 (2) | |
| S9 | 0.90727 (9) | 0.57583 (5) | 0.41897 (4) | 0.0140 (2) | |
| S10 | 0.88493 (9) | 0.57066 (5) | 0.28136 (4) | 0.0132 (2) | |
| N1 | 0.8337 (3) | 0.88817 (16) | 0.52277 (14) | 0.0139 (7) | |
| N2 | 0.7410 (3) | 0.89371 (16) | 0.15547 (14) | 0.0135 (7) | |
| N3 | 1.3153 (3) | 0.76012 (15) | 0.39905 (15) | 0.0134 (7) | |
| N4 | 0.3988 (3) | 0.64004 (16) | 0.25959 (15) | 0.0171 (8) | |
| N5 | 0.8811 (3) | 0.46334 (16) | 0.35098 (14) | 0.0139 (7) | |
| C1 | 0.8178 (4) | 0.89505 (18) | 0.46438 (17) | 0.0125 (8) | |
| C2 | 0.9448 (4) | 0.8977 (2) | 0.56747 (18) | 0.0186 (9) | |
| C3 | 0.9389 (4) | 0.9327 (2) | 0.62605 (17) | 0.0183 (9) | |
| C4 | 0.8612 (4) | 0.9946 (2) | 0.61714 (19) | 0.0193 (9) | |
| C5 | 0.7404 (4) | 0.9761 (2) | 0.61338 (18) | 0.0194 (9) | |
| C6 | 0.6780 (4) | 0.9350 (2) | 0.55694 (18) | 0.0194 (9) | |
| C7 | 0.7390 (4) | 0.8710 (2) | 0.54670 (18) | 0.0172 (9) | |
| C8 | 0.7573 (4) | 0.89973 (17) | 0.21465 (17) | 0.0120 (8) | |
| C9 | 0.6298 (4) | 0.88212 (19) | 0.11373 (18) | 0.0154 (8) | |
| C10 | 0.5613 (4) | 0.9483 (2) | 0.09793 (18) | 0.0180 (9) | |
| C11 | 0.6279 (4) | 1.0095 (2) | 0.0873 (2) | 0.0235 (10) | |
| C12 | 0.7159 (4) | 0.9948 (3) | 0.0551 (2) | 0.0235 (10) | |
| C13 | 0.8288 (4) | 0.9721 (2) | 0.09796 (19) | 0.0223 (10) | |
| C14 | 0.8315 (4) | 0.9021 (2) | 0.12698 (17) | 0.0160 (9) | |
| C15 | 1.2051 (4) | 0.75410 (18) | 0.38024 (17) | 0.0130 (8) | |
| C16 | 1.3719 (4) | 0.82783 (19) | 0.40894 (18) | 0.0153 (8) | |
| C17 | 1.3890 (4) | 0.8540 (2) | 0.47292 (19) | 0.0198 (9) | |
| C18 | 1.4519 (4) | 0.8041 (3) | 0.52339 (18) | 0.0203 (9) | |
| C19 | 1.3852 (4) | 0.7392 (2) | 0.52702 (19) | 0.0211 (10) | |
| C20 | 1.3974 (4) | 0.6808 (2) | 0.48579 (19) | 0.0203 (9) | |
| C21 | 1.3894 (4) | 0.70183 (19) | 0.42054 (18) | 0.0156 (9) | |
| C22 | 0.4969 (4) | 0.66228 (19) | 0.29298 (17) | 0.0149 (8) | |
| C23 | 0.3016 (4) | 0.6857 (2) | 0.2356 (2) | 0.0216 (9) | |
| C24 | 0.2269 (4) | 0.6666 (3) | 0.1720 (2) | 0.0255 (10) | |
| C25 | 0.2884 (5) | 0.6504 (3) | 0.1262 (2) | 0.0271 (11) | |
| C26 | 0.3245 (5) | 0.5751 (3) | 0.1259 (2) | 0.0278 (11) | |
| C27 | 0.4119 (4) | 0.5524 (2) | 0.18354 (19) | 0.0216 (10) | |
| C28 | 0.3801 (4) | 0.5675 (2) | 0.24224 (18) | 0.0200 (9) | |
| C29 | 0.8906 (4) | 0.53089 (18) | 0.35076 (17) | 0.0126 (8) | |
| C30 | 0.8775 (4) | 0.4242 (2) | 0.40606 (19) | 0.0208 (10) | |
| C31 | 0.7587 (5) | 0.4085 (3) | 0.4052 (2) | 0.0251 (10) | |
| C32 | 0.6872 (4) | 0.3695 (2) | 0.3490 (2) | 0.0251 (10) | |
| C33 | 0.6583 (4) | 0.4116 (3) | 0.2902 (2) | 0.0255 (10) | |
| C34 | 0.7465 (4) | 0.4142 (3) | 0.2566 (2) | 0.0235 (10) | |
| C35 | 0.8653 (4) | 0.42096 (19) | 0.29607 (18) | 0.0173 (9) | |
| H2A | 0.9906 | 0.9249 | 0.5490 | 0.0223* | |
| H2B | 0.9801 | 0.8535 | 0.5776 | 0.0223* | |
| H3A | 1.0133 | 0.9473 | 0.6487 | 0.0219* | |
| H3B | 0.9150 | 0.8994 | 0.6508 | 0.0219* | |
| H4A | 0.8617 | 1.0179 | 0.5800 | 0.0232* | |
| H4B | 0.8898 | 1.0259 | 0.6508 | 0.0232* | |
| H5A | 0.7408 | 0.9500 | 0.6493 | 0.0233* | |
| H5B | 0.6997 | 1.0179 | 0.6141 | 0.0233* | |
| H6A | 0.6060 | 0.9219 | 0.5608 | 0.0233* | |
| H6B | 0.6651 | 0.9641 | 0.5214 | 0.0233* | |
| H7A | 0.7666 | 0.8465 | 0.5848 | 0.0207* | |
| H7B | 0.6874 | 0.8414 | 0.5180 | 0.0207* | |
| H9A | 0.5905 | 0.8500 | 0.1321 | 0.0184* | |
| H9B | 0.6367 | 0.8618 | 0.0765 | 0.0184* | |
| H10A | 0.4997 | 0.9406 | 0.0616 | 0.0216* | |
| H10B | 0.5302 | 0.9589 | 0.1309 | 0.0216* | |
| H11A | 0.6645 | 1.0301 | 0.1265 | 0.0282* | |
| H11B | 0.5763 | 1.0429 | 0.0635 | 0.0282* | |
| H12A | 0.7269 | 1.0356 | 0.0337 | 0.0282* | |
| H12B | 0.6882 | 0.9594 | 0.0249 | 0.0282* | |
| H13A | 0.8828 | 0.9725 | 0.0753 | 0.0268* | |
| H13B | 0.8525 | 1.0056 | 0.1303 | 0.0268* | |
| H14A | 0.8245 | 0.8672 | 0.0961 | 0.0192* | |
| H14B | 0.9025 | 0.8958 | 0.1576 | 0.0192* | |
| H16A | 1.3275 | 0.8604 | 0.3801 | 0.0184* | |
| H16B | 1.4435 | 0.8239 | 0.4013 | 0.0184* | |
| H17A | 1.3169 | 0.8638 | 0.4784 | 0.0238* | |
| H17B | 1.4301 | 0.8965 | 0.4777 | 0.0238* | |
| H18A | 1.5213 | 0.7911 | 0.5160 | 0.0244* | |
| H18B | 1.4700 | 0.8275 | 0.5623 | 0.0244* | |
| H19A | 1.4081 | 0.7230 | 0.5688 | 0.0253* | |
| H19B | 1.3071 | 0.7513 | 0.5170 | 0.0253* | |
| H20A | 1.3400 | 0.6472 | 0.4845 | 0.0243* | |
| H20B | 1.4687 | 0.6589 | 0.5036 | 0.0243* | |
| H21A | 1.4632 | 0.7133 | 0.4183 | 0.0187* | |
| H21B | 1.3627 | 0.6634 | 0.3937 | 0.0187* | |
| H23A | 0.3284 | 0.7319 | 0.2343 | 0.0260* | |
| H23B | 0.2571 | 0.6852 | 0.2637 | 0.0260* | |
| H24A | 0.1825 | 0.6272 | 0.1757 | 0.0306* | |
| H24B | 0.1762 | 0.7041 | 0.1565 | 0.0306* | |
| H25A | 0.3541 | 0.6791 | 0.1346 | 0.0325* | |
| H25B | 0.2410 | 0.6621 | 0.0858 | 0.0325* | |
| H26A | 0.2593 | 0.5463 | 0.1199 | 0.0333* | |
| H26B | 0.3533 | 0.5680 | 0.0916 | 0.0333* | |
| H27A | 0.4814 | 0.5753 | 0.1858 | 0.0259* | |
| H27B | 0.4239 | 0.5037 | 0.1811 | 0.0259* | |
| H28A | 0.3024 | 0.5563 | 0.2359 | 0.0239* | |
| H28B | 0.4243 | 0.5392 | 0.2751 | 0.0239* | |
| H30A | 0.9138 | 0.4504 | 0.4422 | 0.0250* | |
| H30B | 0.9181 | 0.3818 | 0.4079 | 0.0250* | |
| H31A | 0.7217 | 0.4513 | 0.4081 | 0.0301* | |
| H31B | 0.7610 | 0.3821 | 0.4413 | 0.0301* | |
| H32A | 0.7269 | 0.3288 | 0.3433 | 0.0301* | |
| H32B | 0.6187 | 0.3550 | 0.3566 | 0.0301* | |
| H33A | 0.5905 | 0.3933 | 0.2626 | 0.0306* | |
| H33B | 0.6427 | 0.4580 | 0.2999 | 0.0306* | |
| H34A | 0.7404 | 0.3730 | 0.2325 | 0.0282* | |
| H34B | 0.7298 | 0.4525 | 0.2286 | 0.0282* | |
| H35A | 0.8943 | 0.3757 | 0.3086 | 0.0207* | |
| H35B | 0.9092 | 0.4403 | 0.2717 | 0.0207* |
| Br1 | 0.0174 (3) | 0.00951 (18) | 0.01128 (19) | 0.00006 (13) | 0.00471 (15) | 0.00048 (14) |
| Br2 | 0.0293 (3) | 0.01343 (19) | 0.01172 (19) | −0.00048 (15) | 0.00343 (17) | −0.00034 (15) |
| Br3 | 0.0282 (3) | 0.0187 (2) | 0.01104 (19) | 0.00405 (16) | 0.00865 (17) | 0.00271 (16) |
| Br4 | 0.0350 (3) | 0.01384 (19) | 0.0145 (2) | −0.00169 (16) | 0.01144 (18) | −0.00015 (16) |
| Br5 | 0.0282 (3) | 0.0159 (2) | 0.00980 (19) | 0.00432 (16) | 0.00411 (17) | 0.00000 (15) |
| Cu1 | 0.0197 (3) | 0.0114 (3) | 0.0073 (3) | −0.00001 (18) | 0.00432 (19) | 0.00032 (18) |
| Cu2 | 0.0265 (4) | 0.0157 (3) | 0.0181 (3) | 0.0045 (2) | 0.0097 (3) | 0.0026 (2) |
| Cu3 | 0.0230 (3) | 0.0123 (3) | 0.0128 (3) | −0.00221 (19) | 0.0036 (2) | −0.0005 (2) |
| Cu4 | 0.0317 (4) | 0.0116 (3) | 0.0184 (3) | −0.0037 (2) | 0.0134 (3) | −0.0013 (2) |
| Cu5 | 0.0231 (4) | 0.0148 (3) | 0.0150 (3) | 0.00341 (19) | 0.0032 (2) | 0.0006 (2) |
| Cu6 | 0.0284 (4) | 0.0151 (3) | 0.0152 (3) | −0.0063 (2) | 0.0071 (3) | −0.0027 (2) |
| Cu7 | 0.0246 (4) | 0.0201 (3) | 0.0144 (3) | 0.0040 (2) | 0.0045 (3) | −0.0023 (2) |
| Cu8 | 0.0275 (4) | 0.0225 (3) | 0.0154 (3) | 0.0082 (3) | 0.0061 (3) | 0.0050 (3) |
| Cu9 | 0.0263 (4) | 0.0143 (3) | 0.0142 (3) | −0.0048 (2) | 0.0046 (3) | 0.0009 (2) |
| S1 | 0.0184 (6) | 0.0112 (4) | 0.0087 (4) | −0.0014 (4) | 0.0054 (4) | −0.0004 (4) |
| S2 | 0.0217 (6) | 0.0119 (5) | 0.0091 (5) | −0.0024 (4) | 0.0053 (4) | −0.0025 (4) |
| S3 | 0.0179 (6) | 0.0106 (5) | 0.0107 (5) | 0.0002 (4) | 0.0049 (4) | 0.0003 (4) |
| S4 | 0.0168 (6) | 0.0119 (5) | 0.0082 (4) | −0.0002 (4) | 0.0027 (4) | 0.0006 (4) |
| S5 | 0.0184 (6) | 0.0092 (4) | 0.0148 (5) | 0.0013 (4) | 0.0039 (4) | 0.0010 (4) |
| S6 | 0.0195 (6) | 0.0083 (4) | 0.0187 (5) | −0.0003 (4) | 0.0046 (4) | −0.0000 (4) |
| S7 | 0.0191 (6) | 0.0107 (5) | 0.0118 (5) | −0.0022 (4) | 0.0053 (4) | −0.0016 (4) |
| S8 | 0.0222 (6) | 0.0112 (5) | 0.0164 (5) | 0.0003 (4) | 0.0033 (4) | −0.0002 (4) |
| S9 | 0.0218 (6) | 0.0100 (5) | 0.0098 (5) | −0.0004 (4) | 0.0040 (4) | 0.0007 (4) |
| S10 | 0.0214 (6) | 0.0094 (4) | 0.0088 (4) | −0.0008 (4) | 0.0045 (4) | 0.0006 (4) |
| N1 | 0.019 (2) | 0.0132 (16) | 0.0097 (15) | −0.0025 (13) | 0.0047 (14) | −0.0031 (14) |
| N2 | 0.020 (2) | 0.0120 (15) | 0.0074 (15) | −0.0017 (13) | 0.0027 (13) | 0.0004 (13) |
| N3 | 0.019 (2) | 0.0095 (15) | 0.0112 (16) | 0.0008 (13) | 0.0035 (14) | 0.0007 (13) |
| N4 | 0.021 (2) | 0.0126 (16) | 0.0169 (17) | −0.0010 (14) | 0.0039 (15) | 0.0018 (14) |
| N5 | 0.023 (2) | 0.0096 (15) | 0.0112 (16) | −0.0014 (13) | 0.0076 (14) | 0.0015 (13) |
| C1 | 0.018 (3) | 0.0065 (16) | 0.0125 (18) | −0.0024 (14) | 0.0045 (16) | 0.0000 (15) |
| C2 | 0.022 (3) | 0.018 (2) | 0.0137 (19) | 0.0001 (16) | 0.0022 (17) | −0.0035 (17) |
| C3 | 0.026 (3) | 0.0157 (19) | 0.0099 (18) | 0.0033 (17) | −0.0000 (17) | 0.0032 (17) |
| C4 | 0.027 (3) | 0.0121 (18) | 0.017 (2) | −0.0009 (16) | 0.0033 (18) | −0.0022 (17) |
| C5 | 0.033 (3) | 0.0133 (19) | 0.0126 (19) | 0.0028 (17) | 0.0086 (18) | −0.0007 (17) |
| C6 | 0.024 (3) | 0.021 (2) | 0.0142 (19) | −0.0019 (17) | 0.0076 (18) | −0.0027 (18) |
| C7 | 0.024 (3) | 0.019 (2) | 0.0106 (18) | −0.0104 (17) | 0.0080 (17) | −0.0049 (17) |
| C8 | 0.019 (3) | 0.0054 (16) | 0.0132 (18) | 0.0021 (14) | 0.0064 (16) | 0.0031 (15) |
| C9 | 0.022 (3) | 0.0118 (18) | 0.0116 (18) | −0.0032 (15) | 0.0031 (16) | −0.0021 (16) |
| C10 | 0.024 (3) | 0.0154 (19) | 0.0126 (19) | 0.0032 (16) | 0.0018 (17) | −0.0017 (17) |
| C11 | 0.035 (3) | 0.015 (2) | 0.019 (2) | 0.0040 (18) | 0.0064 (19) | 0.0022 (18) |
| C12 | 0.032 (3) | 0.018 (2) | 0.020 (2) | 0.0007 (18) | 0.007 (2) | 0.0111 (19) |
| C13 | 0.029 (3) | 0.022 (3) | 0.018 (2) | −0.0056 (18) | 0.0105 (19) | 0.0029 (19) |
| C14 | 0.019 (3) | 0.019 (2) | 0.0111 (18) | −0.0005 (16) | 0.0063 (16) | 0.0013 (17) |
| C15 | 0.020 (3) | 0.0127 (18) | 0.0073 (17) | 0.0001 (15) | 0.0059 (16) | −0.0012 (15) |
| C16 | 0.017 (3) | 0.0118 (18) | 0.0164 (19) | −0.0028 (15) | 0.0036 (16) | 0.0018 (16) |
| C17 | 0.019 (3) | 0.017 (2) | 0.022 (3) | −0.0053 (16) | 0.0039 (18) | −0.0028 (18) |
| C18 | 0.025 (3) | 0.025 (3) | 0.0105 (18) | −0.0027 (18) | 0.0035 (17) | −0.0032 (18) |
| C19 | 0.028 (3) | 0.022 (2) | 0.013 (2) | −0.0021 (18) | 0.0049 (18) | 0.0077 (18) |
| C20 | 0.023 (3) | 0.018 (2) | 0.020 (2) | 0.0014 (17) | 0.0077 (18) | 0.0070 (18) |
| C21 | 0.019 (3) | 0.0129 (18) | 0.0137 (19) | 0.0032 (15) | 0.0026 (16) | 0.0030 (16) |
| C22 | 0.025 (3) | 0.0121 (18) | 0.0085 (17) | −0.0014 (16) | 0.0067 (16) | 0.0002 (16) |
| C23 | 0.018 (3) | 0.020 (2) | 0.023 (3) | 0.0019 (17) | 0.0006 (18) | −0.0031 (19) |
| C24 | 0.022 (3) | 0.022 (3) | 0.030 (3) | 0.0026 (18) | 0.004 (2) | −0.001 (2) |
| C25 | 0.041 (4) | 0.021 (3) | 0.020 (3) | 0.006 (2) | 0.010 (2) | 0.008 (2) |
| C26 | 0.041 (4) | 0.024 (3) | 0.018 (3) | −0.002 (2) | 0.008 (2) | −0.0019 (19) |
| C27 | 0.032 (3) | 0.0128 (19) | 0.021 (2) | −0.0058 (17) | 0.0090 (19) | −0.0019 (18) |
| C28 | 0.029 (3) | 0.014 (2) | 0.0150 (19) | −0.0082 (17) | 0.0045 (18) | −0.0005 (17) |
| C29 | 0.016 (3) | 0.0099 (17) | 0.0108 (18) | 0.0029 (14) | 0.0017 (15) | 0.0038 (15) |
| C30 | 0.033 (3) | 0.0113 (19) | 0.018 (2) | −0.0003 (17) | 0.0071 (19) | 0.0049 (17) |
| C31 | 0.041 (4) | 0.019 (2) | 0.022 (3) | 0.0034 (19) | 0.019 (2) | 0.0047 (19) |
| C32 | 0.032 (3) | 0.0117 (19) | 0.036 (3) | −0.0049 (18) | 0.017 (3) | 0.003 (2) |
| C33 | 0.024 (3) | 0.023 (3) | 0.031 (3) | −0.0039 (19) | 0.011 (2) | −0.006 (2) |
| C34 | 0.028 (3) | 0.022 (3) | 0.021 (2) | −0.0044 (18) | 0.009 (2) | −0.0034 (19) |
| C35 | 0.026 (3) | 0.0103 (18) | 0.020 (2) | 0.0008 (16) | 0.0124 (18) | −0.0024 (17) |
| Br1—Cu3 | 2.6912 (8) | C24—C25 | 1.511 (8) |
| Br2—Cu2 | 2.3748 (7) | C25—C26 | 1.546 (7) |
| Br2—Cu6 | 2.4201 (6) | C26—C27 | 1.518 (6) |
| Br3—Cu3 | 2.4149 (6) | C27—C28 | 1.543 (7) |
| Br3—Cu7 | 2.3993 (7) | C30—C31 | 1.520 (8) |
| Br4—Cu5 | 2.3748 (7) | C31—C32 | 1.544 (6) |
| Br4—Cu9 | 2.4414 (7) | C32—C33 | 1.534 (7) |
| Br5—Cu4 | 2.3705 (7) | C33—C34 | 1.525 (8) |
| Br5—Cu8 | 2.3962 (6) | C34—C35 | 1.510 (6) |
| Cu1—S1 | 2.3087 (10) | C2—H2A | 0.970 |
| Cu1—S2 | 2.3208 (13) | C2—H2B | 0.970 |
| Cu1—S3 | 2.3122 (10) | C3—H3A | 0.970 |
| Cu1—S4 | 2.3322 (13) | C3—H3B | 0.970 |
| Cu2—S1 | 2.2805 (12) | C4—H4A | 0.970 |
| Cu2—S5 | 2.2623 (14) | C4—H4B | 0.970 |
| Cu3—S2 | 2.3216 (11) | C5—H5A | 0.970 |
| Cu3—S7 | 2.2711 (10) | C5—H5B | 0.970 |
| Cu4—S3 | 2.2645 (11) | C6—H6A | 0.970 |
| Cu4—S7 | 2.2619 (14) | C6—H6B | 0.970 |
| Cu5—S4 | 2.3110 (12) | C7—H7A | 0.970 |
| Cu5—S5 | 2.2447 (10) | C7—H7B | 0.970 |
| Cu6—S6 | 2.2805 (15) | C9—H9A | 0.970 |
| Cu6—S9 | 2.2537 (12) | C9—H9B | 0.970 |
| Cu7—S8 | 2.2480 (11) | C10—H10A | 0.970 |
| Cu7—S9 | 2.2788 (13) | C10—H10B | 0.970 |
| Cu8—S8 | 2.3043 (15) | C11—H11A | 0.970 |
| Cu8—S10 | 2.2647 (13) | C11—H11B | 0.970 |
| Cu9—S6 | 2.2771 (11) | C12—H12A | 0.970 |
| Cu9—S10 | 2.2705 (12) | C12—H12B | 0.970 |
| S1—C1 | 1.757 (5) | C13—H13A | 0.970 |
| S2—C1 | 1.749 (4) | C13—H13B | 0.970 |
| S3—C8 | 1.744 (5) | C14—H14A | 0.970 |
| S4—C8 | 1.741 (4) | C14—H14B | 0.970 |
| S5—C15 | 1.747 (4) | C16—H16A | 0.970 |
| S6—C15 | 1.741 (4) | C16—H16B | 0.970 |
| S7—C22 | 1.759 (4) | C17—H17A | 0.970 |
| S8—C22 | 1.747 (4) | C17—H17B | 0.970 |
| S9—C29 | 1.756 (4) | C18—H18A | 0.970 |
| S10—C29 | 1.757 (4) | C18—H18B | 0.970 |
| N1—C1 | 1.304 (5) | C19—H19A | 0.970 |
| N1—C2 | 1.483 (5) | C19—H19B | 0.970 |
| N1—C7 | 1.489 (7) | C20—H20A | 0.970 |
| N2—C8 | 1.319 (5) | C20—H20B | 0.970 |
| N2—C9 | 1.462 (5) | C21—H21A | 0.970 |
| N2—C14 | 1.478 (7) | C21—H21B | 0.970 |
| N3—C15 | 1.330 (6) | C23—H23A | 0.970 |
| N3—C16 | 1.491 (5) | C23—H23B | 0.970 |
| N3—C21 | 1.465 (5) | C24—H24A | 0.970 |
| N4—C22 | 1.321 (5) | C24—H24B | 0.970 |
| N4—C23 | 1.484 (6) | C25—H25A | 0.970 |
| N4—C28 | 1.476 (5) | C25—H25B | 0.970 |
| N5—C29 | 1.330 (5) | C26—H26A | 0.970 |
| N5—C30 | 1.492 (6) | C26—H26B | 0.970 |
| N5—C35 | 1.474 (6) | C27—H27A | 0.970 |
| C2—C3 | 1.531 (6) | C27—H27B | 0.970 |
| C3—C4 | 1.532 (6) | C28—H28A | 0.970 |
| C4—C5 | 1.539 (7) | C28—H28B | 0.970 |
| C5—C6 | 1.532 (6) | C30—H30A | 0.970 |
| C6—C7 | 1.524 (7) | C30—H30B | 0.970 |
| C9—C10 | 1.541 (6) | C31—H31A | 0.970 |
| C10—C11 | 1.521 (7) | C31—H31B | 0.970 |
| C11—C12 | 1.530 (8) | C32—H32A | 0.970 |
| C12—C13 | 1.537 (6) | C32—H32B | 0.970 |
| C13—C14 | 1.521 (6) | C33—H33A | 0.970 |
| C16—C17 | 1.511 (6) | C33—H33B | 0.970 |
| C17—C18 | 1.545 (6) | C34—H34A | 0.970 |
| C18—C19 | 1.540 (7) | C34—H34B | 0.970 |
| C19—C20 | 1.522 (7) | C35—H35A | 0.970 |
| C20—C21 | 1.529 (7) | C35—H35B | 0.970 |
| C23—C24 | 1.533 (6) | ||
| Br1···Cu1 | 2.9650 (6) | Br1···Cu6 | 2.9319 (6) |
| Br1···Cu2 | 2.9054 (6) | Br1···Cu7 | 2.9262 (8) |
| Br1···Cu4 | 2.8672 (6) | Br1···Cu8 | 2.9563 (7) |
| Br1···Cu5 | 2.7825 (8) | Br1···Cu9 | 2.9013 (7) |
| Cu2—Br2—Cu6 | 76.72 (2) | C5—C4—H4A | 108.819 |
| Cu3—Br3—Cu7 | 70.10 (2) | C5—C4—H4B | 108.819 |
| Cu5—Br4—Cu9 | 73.64 (2) | H4A—C4—H4B | 107.701 |
| Cu4—Br5—Cu8 | 79.37 (2) | C4—C5—H5A | 108.513 |
| S1—Cu1—S2 | 77.52 (4) | C4—C5—H5B | 108.501 |
| S1—Cu1—S3 | 176.43 (5) | C6—C5—H5A | 108.516 |
| S1—Cu1—S4 | 103.80 (5) | C6—C5—H5B | 108.508 |
| S2—Cu1—S3 | 101.51 (5) | H5A—C5—H5B | 107.511 |
| S2—Cu1—S4 | 177.71 (4) | C5—C6—H6A | 108.758 |
| S3—Cu1—S4 | 77.05 (4) | C5—C6—H6B | 108.755 |
| Br2—Cu2—S1 | 121.63 (4) | C7—C6—H6A | 108.737 |
| Br2—Cu2—S5 | 123.64 (4) | C7—C6—H6B | 108.758 |
| S1—Cu2—S5 | 111.18 (5) | H6A—C6—H6B | 107.645 |
| Br1—Cu3—Br3 | 103.92 (3) | N1—C7—H7A | 109.362 |
| Br1—Cu3—S2 | 97.37 (4) | N1—C7—H7B | 109.360 |
| Br1—Cu3—S7 | 102.84 (4) | C6—C7—H7A | 109.374 |
| Br3—Cu3—S2 | 113.85 (3) | C6—C7—H7B | 109.362 |
| Br3—Cu3—S7 | 123.37 (4) | H7A—C7—H7B | 108.003 |
| S2—Cu3—S7 | 110.93 (4) | N2—C9—H9A | 109.069 |
| Br5—Cu4—S3 | 124.02 (4) | N2—C9—H9B | 109.070 |
| Br5—Cu4—S7 | 120.07 (3) | C10—C9—H9A | 109.074 |
| S3—Cu4—S7 | 111.22 (5) | C10—C9—H9B | 109.065 |
| Br4—Cu5—S4 | 121.27 (3) | H9A—C9—H9B | 107.827 |
| Br4—Cu5—S5 | 122.91 (4) | C9—C10—H10A | 108.785 |
| S4—Cu5—S5 | 108.15 (4) | C9—C10—H10B | 108.778 |
| Br2—Cu6—S6 | 114.79 (4) | C11—C10—H10A | 108.791 |
| Br2—Cu6—S9 | 115.04 (4) | C11—C10—H10B | 108.785 |
| S6—Cu6—S9 | 123.24 (5) | H10A—C10—H10B | 107.654 |
| Br3—Cu7—S8 | 120.67 (5) | C10—C11—H11A | 108.265 |
| Br3—Cu7—S9 | 116.14 (3) | C10—C11—H11B | 108.266 |
| S8—Cu7—S9 | 117.08 (5) | C12—C11—H11A | 108.266 |
| Br5—Cu8—S8 | 113.60 (4) | C12—C11—H11B | 108.267 |
| Br5—Cu8—S10 | 123.98 (4) | H11A—C11—H11B | 107.374 |
| S8—Cu8—S10 | 117.45 (5) | C11—C12—H12A | 108.747 |
| Br4—Cu9—S6 | 116.49 (4) | C11—C12—H12B | 108.749 |
| Br4—Cu9—S10 | 116.95 (3) | C13—C12—H12A | 108.747 |
| S6—Cu9—S10 | 117.89 (4) | C13—C12—H12B | 108.751 |
| Cu1—S1—Cu2 | 96.51 (4) | H12A—C12—H12B | 107.652 |
| Cu1—S1—C1 | 85.28 (12) | C12—C13—H13A | 108.268 |
| Cu2—S1—C1 | 104.88 (13) | C12—C13—H13B | 108.264 |
| Cu1—S2—Cu3 | 93.33 (5) | C14—C13—H13A | 108.277 |
| Cu1—S2—C1 | 85.09 (16) | C14—C13—H13B | 108.266 |
| Cu3—S2—C1 | 106.06 (13) | H13A—C13—H13B | 107.380 |
| Cu1—S3—Cu4 | 97.25 (4) | N2—C14—H14A | 109.231 |
| Cu1—S3—C8 | 85.34 (12) | N2—C14—H14B | 109.225 |
| Cu4—S3—C8 | 103.98 (13) | C13—C14—H14A | 109.230 |
| Cu1—S4—Cu5 | 94.13 (4) | C13—C14—H14B | 109.240 |
| Cu1—S4—C8 | 84.77 (16) | H14A—C14—H14B | 107.919 |
| Cu5—S4—C8 | 103.96 (13) | N3—C16—H16A | 109.193 |
| Cu2—S5—Cu5 | 90.29 (5) | N3—C16—H16B | 109.197 |
| Cu2—S5—C15 | 103.63 (16) | C17—C16—H16A | 109.191 |
| Cu5—S5—C15 | 109.97 (13) | C17—C16—H16B | 109.193 |
| Cu6—S6—Cu9 | 74.20 (4) | H16A—C16—H16B | 107.907 |
| Cu6—S6—C15 | 108.03 (17) | C16—C17—H17A | 108.709 |
| Cu9—S6—C15 | 111.40 (13) | C16—C17—H17B | 108.701 |
| Cu3—S7—Cu4 | 85.17 (5) | C18—C17—H17A | 108.695 |
| Cu3—S7—C22 | 111.02 (13) | C18—C17—H17B | 108.693 |
| Cu4—S7—C22 | 99.16 (17) | H17A—C17—H17B | 107.617 |
| Cu7—S8—Cu8 | 80.19 (4) | C17—C18—H18A | 108.907 |
| Cu7—S8—C22 | 115.33 (13) | C17—C18—H18B | 108.907 |
| Cu8—S8—C22 | 103.55 (16) | C19—C18—H18A | 108.898 |
| Cu6—S9—Cu7 | 92.62 (5) | C19—C18—H18B | 108.903 |
| Cu6—S9—C29 | 108.91 (15) | H18A—C18—H18B | 107.720 |
| Cu7—S9—C29 | 101.90 (13) | C18—C19—H19A | 108.367 |
| Cu8—S10—Cu9 | 87.41 (4) | C18—C19—H19B | 108.359 |
| Cu8—S10—C29 | 100.71 (15) | C20—C19—H19A | 108.367 |
| Cu9—S10—C29 | 111.66 (13) | C20—C19—H19B | 108.377 |
| C1—N1—C2 | 121.9 (4) | H19A—C19—H19B | 107.437 |
| C1—N1—C7 | 120.4 (4) | C19—C20—H20A | 108.597 |
| C2—N1—C7 | 117.8 (4) | C19—C20—H20B | 108.600 |
| C8—N2—C9 | 121.3 (4) | C21—C20—H20A | 108.602 |
| C8—N2—C14 | 122.6 (4) | C21—C20—H20B | 108.596 |
| C9—N2—C14 | 116.0 (4) | H20A—C20—H20B | 107.574 |
| C15—N3—C16 | 122.2 (4) | N3—C21—H21A | 108.939 |
| C15—N3—C21 | 122.6 (4) | N3—C21—H21B | 108.946 |
| C16—N3—C21 | 114.5 (4) | C20—C21—H21A | 108.952 |
| C22—N4—C23 | 122.9 (4) | C20—C21—H21B | 108.944 |
| C22—N4—C28 | 121.5 (4) | H21A—C21—H21B | 107.761 |
| C23—N4—C28 | 115.6 (3) | N4—C23—H23A | 108.639 |
| C29—N5—C30 | 122.7 (4) | N4—C23—H23B | 108.631 |
| C29—N5—C35 | 123.2 (4) | C24—C23—H23A | 108.634 |
| C30—N5—C35 | 113.9 (3) | C24—C23—H23B | 108.638 |
| S1—C1—S2 | 111.5 (3) | H23A—C23—H23B | 107.575 |
| S1—C1—N1 | 124.0 (3) | C23—C24—H24A | 108.572 |
| S2—C1—N1 | 124.5 (4) | C23—C24—H24B | 108.572 |
| N1—C2—C3 | 112.8 (4) | C25—C24—H24A | 108.571 |
| C2—C3—C4 | 115.5 (4) | C25—C24—H24B | 108.586 |
| C3—C4—C5 | 113.7 (4) | H24A—C24—H24B | 107.546 |
| C4—C5—C6 | 115.0 (4) | C24—C25—H25A | 108.648 |
| C5—C6—C7 | 114.0 (4) | C24—C25—H25B | 108.654 |
| N1—C7—C6 | 111.3 (4) | C26—C25—H25A | 108.645 |
| S3—C8—S4 | 112.2 (3) | C26—C25—H25B | 108.651 |
| S3—C8—N2 | 122.5 (3) | H25A—C25—H25B | 107.601 |
| S4—C8—N2 | 125.2 (4) | C25—C26—H26A | 108.637 |
| N2—C9—C10 | 112.6 (3) | C25—C26—H26B | 108.637 |
| C9—C10—C11 | 113.9 (4) | C27—C26—H26A | 108.636 |
| C10—C11—C12 | 116.1 (4) | C27—C26—H26B | 108.641 |
| C11—C12—C13 | 114.0 (4) | H26A—C26—H26B | 107.586 |
| C12—C13—C14 | 116.1 (4) | C26—C27—H27A | 108.864 |
| N2—C14—C13 | 111.9 (4) | C26—C27—H27B | 108.865 |
| S5—C15—S6 | 124.3 (3) | C28—C27—H27A | 108.874 |
| S5—C15—N3 | 117.4 (3) | C28—C27—H27B | 108.863 |
| S6—C15—N3 | 118.2 (3) | H27A—C27—H27B | 107.713 |
| N3—C16—C17 | 112.1 (4) | N4—C28—H28A | 109.421 |
| C16—C17—C18 | 114.2 (4) | N4—C28—H28B | 109.410 |
| C17—C18—C19 | 113.4 (4) | C27—C28—H28A | 109.439 |
| C18—C19—C20 | 115.7 (5) | C27—C28—H28B | 109.430 |
| C19—C20—C21 | 114.7 (4) | H28A—C28—H28B | 108.022 |
| N3—C21—C20 | 113.2 (4) | N5—C30—H30A | 109.320 |
| S7—C22—S8 | 122.8 (3) | N5—C30—H30B | 109.321 |
| S7—C22—N4 | 118.4 (3) | C31—C30—H30A | 109.322 |
| S8—C22—N4 | 118.8 (3) | C31—C30—H30B | 109.321 |
| N4—C23—C24 | 114.5 (4) | H30A—C30—H30B | 107.964 |
| C23—C24—C25 | 114.8 (4) | C30—C31—H31A | 108.259 |
| C24—C25—C26 | 114.4 (4) | C30—C31—H31B | 108.272 |
| C25—C26—C27 | 114.5 (4) | C32—C31—H31A | 108.268 |
| C26—C27—C28 | 113.5 (4) | C32—C31—H31B | 108.263 |
| N4—C28—C27 | 111.1 (4) | H31A—C31—H31B | 107.388 |
| S9—C29—S10 | 123.3 (2) | C31—C32—H32A | 108.853 |
| S9—C29—N5 | 118.9 (3) | C31—C32—H32B | 108.856 |
| S10—C29—N5 | 117.7 (3) | C33—C32—H32A | 108.868 |
| N5—C30—C31 | 111.5 (4) | C33—C32—H32B | 108.857 |
| C30—C31—C32 | 116.1 (5) | H32A—C32—H32B | 107.714 |
| C31—C32—C33 | 113.5 (4) | C32—C33—H33A | 108.188 |
| C32—C33—C34 | 116.4 (4) | C32—C33—H33B | 108.191 |
| C33—C34—C35 | 115.9 (4) | C34—C33—H33A | 108.201 |
| N5—C35—C34 | 115.1 (4) | C34—C33—H33B | 108.204 |
| N1—C2—H2A | 109.037 | H33A—C33—H33B | 107.360 |
| N1—C2—H2B | 109.040 | C33—C34—H34A | 108.309 |
| C3—C2—H2A | 109.036 | C33—C34—H34B | 108.295 |
| C3—C2—H2B | 109.026 | C35—C34—H34A | 108.294 |
| H2A—C2—H2B | 107.815 | C35—C34—H34B | 108.291 |
| C2—C3—H3A | 108.402 | H34A—C34—H34B | 107.397 |
| C2—C3—H3B | 108.411 | N5—C35—H35A | 108.497 |
| C4—C3—H3A | 108.405 | N5—C35—H35B | 108.489 |
| C4—C3—H3B | 108.417 | C34—C35—H35A | 108.499 |
| H3A—C3—H3B | 107.470 | C34—C35—H35B | 108.512 |
| C3—C4—H4A | 108.830 | H35A—C35—H35B | 107.511 |
| C3—C4—H4B | 108.820 | ||
| Cu2—Br2—Cu6—S6 | 68.46 (3) | Cu2—S1—C1—S2 | −102.52 (18) |
| Cu2—Br2—Cu6—S9 | −139.63 (3) | Cu2—S1—C1—N1 | 80.1 (3) |
| Cu6—Br2—Cu2—S1 | 140.97 (4) | Cu1—S2—C1—S1 | 6.99 (17) |
| Cu6—Br2—Cu2—S5 | −62.17 (3) | Cu1—S2—C1—N1 | −175.7 (3) |
| Cu3—Br3—Cu7—S8 | −69.04 (3) | Cu3—S2—C1—S1 | 99.05 (18) |
| Cu3—Br3—Cu7—S9 | 139.23 (4) | Cu3—S2—C1—N1 | −83.6 (3) |
| Cu7—Br3—Cu3—Br1 | −44.60 (2) | Cu1—S3—C8—S4 | −7.11 (16) |
| Cu7—Br3—Cu3—S2 | −149.31 (4) | Cu1—S3—C8—N2 | 174.8 (3) |
| Cu7—Br3—Cu3—S7 | 71.33 (3) | Cu4—S3—C8—S4 | −103.43 (17) |
| Cu5—Br4—Cu9—S6 | −70.08 (3) | Cu4—S3—C8—N2 | 78.5 (3) |
| Cu5—Br4—Cu9—S10 | 142.80 (4) | Cu1—S4—C8—S3 | 7.05 (16) |
| Cu9—Br4—Cu5—S4 | −147.38 (4) | Cu1—S4—C8—N2 | −174.9 (3) |
| Cu9—Br4—Cu5—S5 | 66.80 (4) | Cu5—S4—C8—S3 | 100.02 (17) |
| Cu4—Br5—Cu8—S8 | 65.76 (3) | Cu5—S4—C8—N2 | −82.0 (3) |
| Cu4—Br5—Cu8—S10 | −139.95 (4) | Cu2—S5—C15—S6 | 57.3 (3) |
| Cu8—Br5—Cu4—S3 | 140.59 (4) | Cu2—S5—C15—N3 | −121.8 (3) |
| Cu8—Br5—Cu4—S7 | −65.85 (3) | Cu5—S5—C15—S6 | −38.0 (4) |
| S1—Cu1—S2—Cu3 | −110.91 (4) | Cu5—S5—C15—N3 | 142.9 (3) |
| S1—Cu1—S2—C1 | −5.06 (4) | Cu6—S6—C15—S5 | −48.2 (3) |
| S2—Cu1—S1—Cu2 | 109.51 (5) | Cu6—S6—C15—N3 | 130.9 (3) |
| S2—Cu1—S1—C1 | 5.04 (4) | Cu9—S6—C15—S5 | 31.4 (4) |
| S1—Cu1—S4—Cu5 | 74.84 (4) | Cu9—S6—C15—N3 | −149.4 (3) |
| S1—Cu1—S4—C8 | 178.51 (4) | Cu3—S7—C22—S8 | −19.7 (4) |
| S4—Cu1—S1—Cu2 | −72.42 (5) | Cu3—S7—C22—N4 | 161.4 (3) |
| S4—Cu1—S1—C1 | −176.89 (4) | Cu4—S7—C22—S8 | 68.7 (3) |
| S2—Cu1—S3—Cu4 | −73.27 (5) | Cu4—S7—C22—N4 | −110.3 (3) |
| S2—Cu1—S3—C8 | −176.80 (4) | Cu7—S8—C22—S7 | 19.6 (4) |
| S3—Cu1—S2—Cu3 | 72.60 (4) | Cu7—S8—C22—N4 | −161.5 (3) |
| S3—Cu1—S2—C1 | 178.45 (4) | Cu8—S8—C22—S7 | −65.8 (3) |
| S3—Cu1—S4—Cu5 | −108.71 (4) | Cu8—S8—C22—N4 | 113.1 (3) |
| S3—Cu1—S4—C8 | −5.04 (4) | Cu6—S9—C29—S10 | −32.7 (3) |
| S4—Cu1—S3—Cu4 | 108.57 (5) | Cu6—S9—C29—N5 | 147.7 (3) |
| S4—Cu1—S3—C8 | 5.03 (4) | Cu7—S9—C29—S10 | 64.2 (3) |
| Br2—Cu2—S1—Cu1 | −123.10 (4) | Cu7—S9—C29—N5 | −115.3 (3) |
| Br2—Cu2—S1—C1 | −36.28 (6) | Cu8—S10—C29—S9 | −62.7 (3) |
| Br2—Cu2—S5—Cu5 | 124.46 (4) | Cu8—S10—C29—N5 | 116.9 (3) |
| Br2—Cu2—S5—C15 | 13.81 (6) | Cu9—S10—C29—S9 | 28.8 (4) |
| S1—Cu2—S5—Cu5 | −76.56 (4) | Cu9—S10—C29—N5 | −151.7 (3) |
| S1—Cu2—S5—C15 | 172.78 (4) | C1—N1—C2—C3 | 142.5 (4) |
| S5—Cu2—S1—Cu1 | 77.44 (5) | C2—N1—C1—S1 | −1.7 (6) |
| S5—Cu2—S1—C1 | 164.26 (4) | C2—N1—C1—S2 | −178.7 (3) |
| Br1—Cu3—S2—Cu1 | 20.96 (3) | C1—N1—C7—C6 | −87.0 (4) |
| Br1—Cu3—S2—C1 | −64.88 (5) | C7—N1—C1—S1 | 177.7 (3) |
| Br1—Cu3—S7—Cu4 | −22.61 (3) | C7—N1—C1—S2 | 0.6 (5) |
| Br1—Cu3—S7—C22 | 75.36 (6) | C2—N1—C7—C6 | 92.4 (4) |
| Br3—Cu3—S2—Cu1 | 129.77 (4) | C7—N1—C2—C3 | −36.9 (5) |
| Br3—Cu3—S2—C1 | 43.92 (7) | C8—N2—C9—C10 | 80.9 (5) |
| Br3—Cu3—S7—Cu4 | −139.06 (4) | C9—N2—C8—S3 | 2.7 (5) |
| Br3—Cu3—S7—C22 | −41.09 (8) | C9—N2—C8—S4 | −175.1 (3) |
| S2—Cu3—S7—Cu4 | 80.56 (5) | C8—N2—C14—C13 | −100.8 (4) |
| S2—Cu3—S7—C22 | 178.54 (6) | C14—N2—C8—S3 | 179.1 (3) |
| S7—Cu3—S2—Cu1 | −85.86 (5) | C14—N2—C8—S4 | 1.3 (5) |
| S7—Cu3—S2—C1 | −171.70 (5) | C9—N2—C14—C13 | 75.8 (4) |
| Br5—Cu4—S3—Cu1 | −121.92 (4) | C14—N2—C9—C10 | −95.8 (4) |
| Br5—Cu4—S3—C8 | −34.94 (6) | C15—N3—C16—C17 | 88.8 (4) |
| Br5—Cu4—S7—Cu3 | 125.75 (3) | C16—N3—C15—S5 | −0.1 (6) |
| Br5—Cu4—S7—C22 | 15.20 (5) | C16—N3—C15—S6 | −179.3 (3) |
| S3—Cu4—S7—Cu3 | −77.57 (4) | C15—N3—C21—C20 | −78.5 (5) |
| S3—Cu4—S7—C22 | 171.88 (4) | C21—N3—C15—S5 | 170.2 (3) |
| S7—Cu4—S3—Cu1 | 82.50 (5) | C21—N3—C15—S6 | −9.0 (6) |
| S7—Cu4—S3—C8 | 169.47 (4) | C16—N3—C21—C20 | 92.5 (4) |
| Br4—Cu5—S4—Cu1 | 126.53 (4) | C21—N3—C16—C17 | −82.2 (5) |
| Br4—Cu5—S4—C8 | 40.90 (7) | C22—N4—C23—C24 | 143.7 (4) |
| Br4—Cu5—S5—Cu2 | −131.24 (4) | C23—N4—C22—S7 | −0.7 (6) |
| Br4—Cu5—S5—C15 | −26.61 (8) | C23—N4—C22—S8 | −179.7 (4) |
| S4—Cu5—S5—Cu2 | 79.11 (5) | C22—N4—C28—C27 | −86.1 (5) |
| S4—Cu5—S5—C15 | −176.26 (6) | C28—N4—C22—S7 | 177.5 (4) |
| S5—Cu5—S4—Cu1 | −83.23 (5) | C28—N4—C22—S8 | −1.5 (6) |
| S5—Cu5—S4—C8 | −168.86 (5) | C23—N4—C28—C27 | 92.2 (5) |
| Br2—Cu6—S6—Cu9 | −141.13 (3) | C28—N4—C23—C24 | −34.6 (6) |
| Br2—Cu6—S6—C15 | −33.28 (6) | C29—N5—C30—C31 | 96.8 (4) |
| Br2—Cu6—S9—Cu7 | 77.08 (4) | C30—N5—C29—S9 | 3.5 (6) |
| Br2—Cu6—S9—C29 | −179.40 (4) | C30—N5—C29—S10 | −176.1 (4) |
| S6—Cu6—S9—Cu7 | −133.66 (5) | C29—N5—C35—C34 | −84.5 (5) |
| S6—Cu6—S9—C29 | −30.14 (7) | C35—N5—C29—S9 | 179.2 (4) |
| S9—Cu6—S6—Cu9 | 69.54 (5) | C35—N5—C29—S10 | −0.4 (6) |
| S9—Cu6—S6—C15 | 177.39 (4) | C30—N5—C35—C34 | 91.5 (4) |
| Br3—Cu7—S8—Cu8 | 141.88 (4) | C35—N5—C30—C31 | −79.3 (4) |
| Br3—Cu7—S8—C22 | 41.45 (8) | N1—C2—C3—C4 | −44.5 (5) |
| Br3—Cu7—S9—Cu6 | −77.95 (5) | C2—C3—C4—C5 | 88.1 (5) |
| Br3—Cu7—S9—C29 | 172.10 (4) | C3—C4—C5—C6 | −67.0 (4) |
| S8—Cu7—S9—Cu6 | 129.28 (5) | C4—C5—C6—C7 | 52.6 (5) |
| S8—Cu7—S9—C29 | 19.33 (7) | C5—C6—C7—N1 | −75.0 (5) |
| S9—Cu7—S8—Cu8 | −66.64 (5) | N2—C9—C10—C11 | 40.9 (5) |
| S9—Cu7—S8—C22 | −167.08 (6) | C9—C10—C11—C12 | 36.9 (5) |
| Br5—Cu8—S8—Cu7 | −135.47 (3) | C10—C11—C12—C13 | −85.7 (4) |
| Br5—Cu8—S8—C22 | −21.58 (6) | C11—C12—C13—C14 | 68.9 (5) |
| Br5—Cu8—S10—Cu9 | 74.61 (4) | C12—C13—C14—N2 | −50.2 (5) |
| Br5—Cu8—S10—C29 | −173.83 (4) | N3—C16—C17—C18 | 54.9 (5) |
| S8—Cu8—S10—Cu9 | −132.00 (4) | C16—C17—C18—C19 | −67.9 (5) |
| S8—Cu8—S10—C29 | −20.44 (6) | C17—C18—C19—C20 | 87.2 (5) |
| S10—Cu8—S8—Cu7 | 68.45 (5) | C18—C19—C20—C21 | −45.3 (5) |
| S10—Cu8—S8—C22 | −177.67 (4) | C19—C20—C21—N3 | −31.7 (5) |
| Br4—Cu9—S6—Cu6 | 142.29 (3) | N4—C23—C24—C25 | −45.9 (5) |
| Br4—Cu9—S6—C15 | 38.72 (8) | C23—C24—C25—C26 | 87.6 (5) |
| Br4—Cu9—S10—Cu8 | −73.53 (5) | C24—C25—C26—C27 | −66.5 (6) |
| Br4—Cu9—S10—C29 | −174.03 (5) | C25—C26—C27—C28 | 52.9 (6) |
| S6—Cu9—S10—Cu8 | 139.82 (5) | C26—C27—C28—N4 | −78.4 (5) |
| S6—Cu9—S10—C29 | 39.32 (8) | N5—C30—C31—C32 | 56.5 (5) |
| S10—Cu9—S6—Cu6 | −70.91 (5) | C30—C31—C32—C33 | −69.0 (5) |
| S10—Cu9—S6—C15 | −174.48 (6) | C31—C32—C33—C34 | 82.9 (5) |
| Cu1—S1—C1—S2 | −7.02 (17) | C32—C33—C34—C35 | −40.4 (5) |
| Cu1—S1—C1—N1 | 175.6 (3) | C33—C34—C35—N5 | −35.4 (5) |
Selected bond lengths (Å)
| Br1—Cu3 | 2.6912 (8) |
| Br2—Cu2 | 2.3748 (7) |
| Br2—Cu6 | 2.4201 (6) |
| Br3—Cu3 | 2.4149 (6) |
| Br3—Cu7 | 2.3993 (7) |
| Br4—Cu5 | 2.3748 (7) |
| Br4—Cu9 | 2.4414 (7) |
| Br5—Cu4 | 2.3705 (7) |
| Br5—Cu8 | 2.3962 (6) |
| Cu1—S1 | 2.3087 (10) |
| Cu1—S2 | 2.3208 (13) |
| Cu1—S3 | 2.3122 (10) |
| Cu1—S4 | 2.3322 (13) |
| Cu2—S1 | 2.2805 (12) |
| Cu2—S5 | 2.2623 (14) |
| Cu3—S2 | 2.3216 (11) |
| Cu3—S7 | 2.2711 (10) |
| Cu4—S3 | 2.2645 (11) |
| Cu4—S7 | 2.2619 (14) |
| Cu5—S4 | 2.3110 (12) |
| Cu5—S5 | 2.2447 (10) |
| Cu6—S6 | 2.2805 (15) |
| Cu6—S9 | 2.2537 (12) |
| Cu7—S8 | 2.2480 (11) |
| Cu7—S9 | 2.2788 (13) |
| Cu8—S8 | 2.3043 (15) |
| Cu8—S10 | 2.2647 (13) |
| Cu9—S6 | 2.2771 (11) |
| Cu9—S10 | 2.2705 (12) |