| Literature DB >> 21200468 |
Moayad Hossaini Sadr, Behzad Soltani, Shan Gao, Seik Weng Ng.
Abstract
The Cu atom in the title compound, [CuBr(2)(C(7)H(6)N(2))(4)], is surrounded by four N-heterocycles that define an N(4) square-planar geometry. The coordination geometry is distorted towards an elongated octa-hedron owing to the presence of the two Br(-) anions, which are located at about 3 Å above and below the square plane. There are two independent molecules in the asymmetric unit, each with their Cu atom lying on an inversion centre.Entities:
Year: 2007 PMID: 21200468 PMCID: PMC2915062 DOI: 10.1107/S1600536807062940
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [CuBr2(C7H6N2)4] | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 7166 reflections | |
| θ = 3.2–27.5º | |
| µ = 3.65 mm−1 | |
| α = 72.545 (3)º | |
| β = 77.329 (3)º | Prism, blue |
| γ = 73.890 (3)º | 0.24 × 0.21 × 0.12 mm |
| Rigaku R-AXIS RAPID diffractometer | 6389 independent reflections |
| Radiation source: fine-focus sealed tube | 2895 reflections with |
| Monochromator: graphite | |
| Detector resolution: 10.000 pixels mm-1 | θmax = 27.5º |
| θmin = 3.2º | |
| ω scans | |
| Absorption correction: multi-scan(ABSCOR; Higashi, 1995) | |
| 13779 measured reflections |
| Refinement on | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
| H-atom parameters constrained | |
| | |
| (Δ/σ)max = 0.001 | |
| 6389 reflections | Δρmax = 0.65 e Å−3 |
| 356 parameters | Δρmin = −1.00 e Å−3 |
| 12 restraints | Extinction correction: SHELXL97 (Sheldrick, 1997), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
| Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.008 (2) |
| Br1 | 0.62566 (10) | 0.25866 (8) | 0.41676 (7) | 0.1011 (4) | |
| Br2 | −0.25176 (8) | 0.40169 (7) | 1.09777 (6) | 0.0840 (3) | |
| Cu1 | 0.5000 | 0.5000 | 0.5000 | 0.0843 (5) | |
| Cu2 | 0.0000 | 0.5000 | 1.0000 | 0.1230 (8) | |
| N1 | 0.5411 (5) | 0.3924 (6) | 0.6427 (4) | 0.0636 (14) | |
| N2 | 0.5199 (6) | 0.4347 (6) | 0.7267 (5) | 0.0774 (16) | |
| H2N | 0.4877 | 0.5155 | 0.7291 | 0.093* | |
| N3 | 0.3196 (6) | 0.4493 (7) | 0.5367 (4) | 0.0748 (17) | |
| N4 | 0.2108 (6) | 0.5102 (6) | 0.5891 (5) | 0.0803 (17) | |
| H4N | 0.2071 | 0.5797 | 0.6078 | 0.096* | |
| N5 | 0.0567 (9) | 0.3532 (6) | 0.9272 (5) | 0.093 (2) | |
| N6 | 0.1763 (9) | 0.3169 (7) | 0.8743 (6) | 0.100 (2) | |
| H6N | 0.2408 | 0.3579 | 0.8604 | 0.120* | |
| N7 | −0.0951 (9) | 0.6246 (6) | 0.8816 (5) | 0.090 (2) | |
| N8 | −0.0317 (7) | 0.7102 (6) | 0.8075 (5) | 0.0885 (19) | |
| H8N | 0.0514 | 0.7141 | 0.8031 | 0.106* | |
| C1 | 0.5920 (6) | 0.2639 (6) | 0.6683 (4) | 0.0569 (15) | |
| H1 | 0.6170 | 0.2106 | 0.6226 | 0.068* | |
| C2 | 0.6029 (6) | 0.2195 (6) | 0.7719 (5) | 0.0591 (15) | |
| C3 | 0.6478 (8) | 0.0951 (8) | 0.8374 (6) | 0.084 (2) | |
| H3 | 0.6801 | 0.0206 | 0.8120 | 0.101* | |
| C4 | 0.6428 (7) | 0.0863 (9) | 0.9382 (6) | 0.090 (3) | |
| H4 | 0.6683 | 0.0038 | 0.9828 | 0.108* | |
| C5 | 0.6006 (8) | 0.1974 (10) | 0.9777 (6) | 0.091 (3) | |
| H5 | 0.6017 | 0.1881 | 1.0471 | 0.109* | |
| C6 | 0.5577 (7) | 0.3201 (9) | 0.9148 (6) | 0.086 (2) | |
| H6 | 0.5296 | 0.3945 | 0.9404 | 0.103* | |
| C7 | 0.5573 (6) | 0.3298 (6) | 0.8111 (4) | 0.0592 (15) | |
| C8 | 0.2874 (6) | 0.3499 (7) | 0.5225 (5) | 0.0630 (16) | |
| H8 | 0.3460 | 0.2906 | 0.4871 | 0.076* | |
| C9 | 0.1562 (6) | 0.3431 (7) | 0.5663 (4) | 0.0604 (16) | |
| C10 | 0.0743 (8) | 0.2577 (8) | 0.5751 (6) | 0.086 (2) | |
| H10 | 0.1071 | 0.1862 | 0.5461 | 0.104* | |
| C11 | −0.0530 (8) | 0.2800 (9) | 0.6261 (7) | 0.091 (2) | |
| H11 | −0.1082 | 0.2229 | 0.6327 | 0.109* | |
| C12 | −0.1034 (7) | 0.3866 (9) | 0.6692 (6) | 0.084 (2) | |
| H12 | −0.1923 | 0.4004 | 0.7035 | 0.101* | |
| C13 | −0.0257 (7) | 0.4712 (8) | 0.6621 (6) | 0.0763 (19) | |
| H13 | −0.0599 | 0.5420 | 0.6919 | 0.092* | |
| C14 | 0.1048 (6) | 0.4501 (6) | 0.6102 (5) | 0.0581 (15) | |
| C15 | −0.0112 (7) | 0.2676 (7) | 0.9321 (5) | 0.0622 (16) | |
| H15 | −0.1001 | 0.2704 | 0.9658 | 0.075* | |
| C16 | 0.0607 (6) | 0.1736 (6) | 0.8832 (5) | 0.0578 (15) | |
| C17 | 0.0283 (10) | 0.0657 (9) | 0.8687 (7) | 0.096 (3) | |
| H17 | −0.0571 | 0.0472 | 0.8945 | 0.116* | |
| C18 | 0.1251 (14) | −0.0105 (9) | 0.8162 (8) | 0.108 (3) | |
| H18 | 0.1061 | −0.0843 | 0.8069 | 0.130* | |
| C19 | 0.2487 (11) | 0.0154 (10) | 0.7764 (7) | 0.104 (3) | |
| H19 | 0.3122 | −0.0410 | 0.7408 | 0.124* | |
| C20 | 0.2836 (7) | 0.1224 (9) | 0.7868 (6) | 0.088 (2) | |
| H20 | 0.3684 | 0.1409 | 0.7577 | 0.105* | |
| C21 | 0.1863 (6) | 0.2026 (6) | 0.8430 (4) | 0.0564 (14) | |
| C22 | −0.2200 (10) | 0.6462 (7) | 0.8630 (6) | 0.086 (2) | |
| H22 | −0.2851 | 0.5999 | 0.9022 | 0.103* | |
| C23 | −0.2393 (9) | 0.7522 (7) | 0.7731 (6) | 0.080 (2) | |
| C24 | −0.3451 (10) | 0.8178 (9) | 0.7148 (8) | 0.103 (3) | |
| H24 | −0.4286 | 0.7942 | 0.7328 | 0.124* | |
| C25 | −0.3207 (13) | 0.9197 (9) | 0.6288 (7) | 0.112 (3) | |
| H25 | −0.3900 | 0.9653 | 0.5893 | 0.135* | |
| C26 | −0.1982 (13) | 0.9552 (10) | 0.6004 (7) | 0.113 (3) | |
| H26 | −0.1866 | 1.0240 | 0.5423 | 0.135* | |
| C27 | −0.0951 (11) | 0.8941 (8) | 0.6536 (6) | 0.104 (3) | |
| H27 | −0.0121 | 0.9187 | 0.6346 | 0.124* | |
| C28 | −0.1185 (9) | 0.7895 (7) | 0.7408 (6) | 0.080 (2) |
| Br1 | 0.1416 (8) | 0.0637 (6) | 0.0882 (6) | 0.0001 (5) | −0.0230 (5) | −0.0221 (4) |
| Br2 | 0.0917 (6) | 0.0649 (5) | 0.0874 (6) | −0.0117 (4) | −0.0083 (4) | −0.0166 (4) |
| Cu1 | 0.0608 (7) | 0.1132 (11) | 0.0637 (7) | −0.0366 (7) | −0.0251 (6) | 0.0265 (7) |
| Cu2 | 0.232 (2) | 0.0513 (8) | 0.0766 (8) | 0.0341 (10) | −0.0776 (11) | −0.0246 (6) |
| N1 | 0.054 (3) | 0.085 (4) | 0.051 (3) | −0.021 (3) | −0.012 (2) | −0.007 (3) |
| N2 | 0.070 (3) | 0.069 (4) | 0.083 (4) | −0.011 (3) | −0.020 (3) | −0.003 (3) |
| N3 | 0.064 (3) | 0.086 (5) | 0.057 (3) | −0.012 (3) | −0.015 (3) | 0.007 (3) |
| N4 | 0.087 (4) | 0.073 (4) | 0.080 (4) | −0.021 (3) | −0.021 (3) | −0.011 (3) |
| N5 | 0.134 (6) | 0.056 (4) | 0.067 (4) | 0.023 (4) | −0.027 (4) | −0.016 (3) |
| N6 | 0.151 (7) | 0.067 (4) | 0.097 (5) | −0.041 (5) | −0.055 (5) | −0.002 (4) |
| N7 | 0.151 (6) | 0.042 (3) | 0.072 (4) | 0.002 (4) | −0.044 (4) | −0.010 (3) |
| N8 | 0.122 (5) | 0.058 (4) | 0.089 (4) | −0.008 (4) | −0.050 (4) | −0.011 (3) |
| C1 | 0.064 (3) | 0.054 (4) | 0.045 (3) | −0.007 (3) | −0.014 (3) | −0.004 (3) |
| C2 | 0.058 (3) | 0.056 (4) | 0.058 (3) | −0.009 (3) | −0.009 (3) | −0.011 (3) |
| C3 | 0.097 (5) | 0.059 (4) | 0.084 (5) | −0.008 (4) | −0.021 (4) | −0.005 (4) |
| C4 | 0.077 (5) | 0.095 (6) | 0.070 (5) | −0.010 (4) | −0.021 (4) | 0.018 (4) |
| C5 | 0.083 (5) | 0.121 (8) | 0.055 (4) | −0.018 (5) | −0.016 (4) | −0.005 (5) |
| C6 | 0.078 (5) | 0.100 (6) | 0.072 (5) | −0.009 (4) | −0.011 (4) | −0.023 (4) |
| C7 | 0.055 (3) | 0.069 (4) | 0.047 (3) | −0.013 (3) | −0.009 (3) | −0.004 (3) |
| C8 | 0.051 (3) | 0.066 (4) | 0.063 (4) | −0.004 (3) | −0.003 (3) | −0.017 (3) |
| C9 | 0.051 (3) | 0.073 (4) | 0.053 (3) | −0.018 (3) | −0.009 (3) | −0.006 (3) |
| C10 | 0.084 (5) | 0.081 (5) | 0.103 (6) | −0.026 (4) | −0.009 (4) | −0.034 (4) |
| C11 | 0.076 (5) | 0.098 (7) | 0.106 (6) | −0.042 (5) | −0.028 (5) | −0.005 (5) |
| C12 | 0.059 (4) | 0.092 (6) | 0.079 (5) | −0.015 (4) | −0.001 (4) | 0.002 (4) |
| C13 | 0.068 (4) | 0.070 (5) | 0.082 (5) | −0.005 (4) | −0.006 (4) | −0.020 (4) |
| C14 | 0.049 (3) | 0.063 (4) | 0.060 (3) | −0.025 (3) | −0.007 (3) | 0.000 (3) |
| C15 | 0.062 (4) | 0.061 (4) | 0.056 (3) | 0.000 (3) | −0.006 (3) | −0.017 (3) |
| C16 | 0.059 (3) | 0.052 (4) | 0.057 (3) | −0.010 (3) | −0.013 (3) | −0.006 (3) |
| C17 | 0.118 (6) | 0.086 (6) | 0.096 (6) | −0.060 (6) | −0.028 (5) | 0.001 (5) |
| C18 | 0.166 (10) | 0.056 (5) | 0.117 (8) | −0.011 (6) | −0.058 (8) | −0.029 (5) |
| C19 | 0.123 (8) | 0.086 (7) | 0.094 (6) | 0.031 (6) | −0.044 (6) | −0.042 (5) |
| C20 | 0.065 (4) | 0.117 (7) | 0.077 (5) | −0.011 (4) | −0.011 (4) | −0.026 (5) |
| C21 | 0.072 (4) | 0.044 (3) | 0.054 (3) | −0.011 (3) | −0.016 (3) | −0.012 (3) |
| C22 | 0.120 (7) | 0.055 (5) | 0.073 (5) | 0.004 (4) | −0.014 (5) | −0.023 (4) |
| C23 | 0.112 (6) | 0.055 (4) | 0.068 (4) | 0.009 (4) | −0.030 (4) | −0.022 (3) |
| C24 | 0.106 (6) | 0.098 (7) | 0.104 (6) | 0.011 (5) | −0.028 (5) | −0.045 (5) |
| C25 | 0.153 (9) | 0.082 (7) | 0.087 (6) | 0.032 (6) | −0.064 (7) | −0.020 (5) |
| C26 | 0.161 (10) | 0.084 (7) | 0.074 (5) | 0.010 (7) | −0.030 (7) | −0.020 (5) |
| C27 | 0.156 (8) | 0.059 (5) | 0.087 (5) | −0.005 (5) | −0.038 (6) | −0.009 (4) |
| C28 | 0.118 (6) | 0.050 (4) | 0.069 (4) | −0.003 (4) | −0.035 (4) | −0.012 (3) |
| Cu1—N1 | 2.027 (5) | C6—H6 | 0.9300 |
| Cu1—N3 | 2.008 (6) | C8—C9 | 1.370 (8) |
| Cu1—Br1 | 3.033 (1) | C8—H8 | 0.9300 |
| Cu2—N5 | 2.024 (7) | C9—C10 | 1.389 (10) |
| Cu2—N7 | 2.023 (6) | C9—C14 | 1.395 (9) |
| Cu2—Br2 | 2.980 (1) | C10—C11 | 1.342 (11) |
| Cu1—N3i | 2.008 (6) | C10—H10 | 0.9300 |
| Cu1—N1i | 2.027 (5) | C11—C12 | 1.385 (12) |
| Cu2—N7ii | 2.023 (6) | C11—H11 | 0.9300 |
| Cu2—N5ii | 2.024 (7) | C12—C13 | 1.354 (12) |
| N1—N2 | 1.320 (8) | C12—H12 | 0.9300 |
| N1—C1 | 1.321 (8) | C13—C14 | 1.374 (8) |
| N2—C7 | 1.400 (8) | C13—H13 | 0.9300 |
| N2—H2N | 0.8600 | C15—C16 | 1.352 (9) |
| N3—C8 | 1.298 (9) | C15—H15 | 0.9300 |
| N3—N4 | 1.320 (8) | C16—C21 | 1.378 (8) |
| N4—C14 | 1.364 (8) | C16—C17 | 1.389 (10) |
| N4—H4N | 0.8600 | C17—C18 | 1.340 (13) |
| N5—C15 | 1.295 (10) | C17—H17 | 0.9300 |
| N5—N6 | 1.312 (9) | C18—C19 | 1.347 (13) |
| N6—C21 | 1.409 (9) | C18—H18 | 0.9300 |
| N6—H6N | 0.8600 | C19—C20 | 1.368 (13) |
| N7—C22 | 1.315 (10) | C19—H19 | 0.9300 |
| N7—N8 | 1.347 (9) | C20—C21 | 1.397 (10) |
| N8—C28 | 1.359 (9) | C20—H20 | 0.9300 |
| N8—H8N | 0.8600 | C22—C23 | 1.424 (10) |
| C1—C2 | 1.377 (8) | C22—H22 | 0.9300 |
| C1—H1 | 0.9300 | C23—C28 | 1.362 (11) |
| C2—C7 | 1.388 (9) | C23—C24 | 1.399 (12) |
| C2—C3 | 1.404 (9) | C24—C25 | 1.391 (13) |
| C3—C4 | 1.348 (11) | C24—H24 | 0.9300 |
| C3—H3 | 0.9300 | C25—C26 | 1.368 (14) |
| C4—C5 | 1.398 (12) | C25—H25 | 0.9300 |
| C4—H4 | 0.9300 | C26—C27 | 1.330 (13) |
| C5—C6 | 1.372 (11) | C26—H26 | 0.9300 |
| C5—H5 | 0.9300 | C27—C28 | 1.415 (11) |
| C6—C7 | 1.396 (9) | C27—H27 | 0.9300 |
| N3—Cu1—N3i | 180.0 (4) | C5—C6—C7 | 118.0 (8) |
| N3—Cu1—N1 | 88.2 (2) | C5—C6—H6 | 121.0 |
| N3i—Cu1—N1 | 91.8 (2) | C7—C6—H6 | 121.0 |
| N3—Cu1—N1i | 91.8 (2) | C2—C7—C6 | 121.1 (6) |
| N3i—Cu1—N1i | 88.2 (2) | C2—C7—N2 | 104.9 (6) |
| N1—Cu1—N1i | 180.00 (16) | C6—C7—N2 | 133.9 (7) |
| N3—Cu1—Br1i | 90.3 (2) | N3—C8—C9 | 111.5 (6) |
| N3i—Cu1—Br1i | 89.7 (2) | N3—C8—H8 | 124.2 |
| N1—Cu1—Br1i | 89.84 (18) | C9—C8—H8 | 124.2 |
| N1i—Cu1—Br1i | 90.16 (18) | C8—C9—C10 | 134.8 (7) |
| N3—Cu1—Br1 | 89.7 (2) | C8—C9—C14 | 105.7 (6) |
| N3i—Cu1—Br1 | 90.3 (2) | C10—C9—C14 | 119.6 (6) |
| N1—Cu1—Br1 | 90.16 (18) | C11—C10—C9 | 119.0 (8) |
| N1i—Cu1—Br1 | 89.84 (18) | C11—C10—H10 | 120.5 |
| Br1i—Cu1—Br1 | 180.00 (3) | C9—C10—H10 | 120.5 |
| N7ii—Cu2—N7 | 180.000 (2) | C10—C11—C12 | 121.1 (7) |
| N7ii—Cu2—N5ii | 91.3 (2) | C10—C11—H11 | 119.5 |
| N7—Cu2—N5ii | 88.7 (2) | C12—C11—H11 | 119.5 |
| N7ii—Cu2—N5 | 88.7 (2) | C13—C12—C11 | 121.2 (7) |
| N7—Cu2—N5 | 91.3 (2) | C13—C12—H12 | 119.4 |
| N5ii—Cu2—N5 | 180.000 (2) | C11—C12—H12 | 119.4 |
| N7ii—Cu2—Br2 | 89.4 (2) | C12—C13—C14 | 118.6 (8) |
| N7—Cu2—Br2 | 90.6 (2) | C12—C13—H13 | 120.7 |
| N5ii—Cu2—Br2 | 92.4 (3) | C14—C13—H13 | 120.7 |
| N5—Cu2—Br2 | 87.6 (3) | N4—C14—C13 | 135.3 (7) |
| N7ii—Cu2—Br2ii | 90.6 (2) | N4—C14—C9 | 104.2 (5) |
| N7—Cu2—Br2ii | 89.4 (2) | C13—C14—C9 | 120.6 (6) |
| N5ii—Cu2—Br2ii | 87.6 (3) | N5—C15—C16 | 112.9 (6) |
| N5—Cu2—Br2ii | 92.4 (3) | N5—C15—H15 | 123.6 |
| Br2—Cu2—Br2ii | 180.00 (3) | C16—C15—H15 | 123.6 |
| N2—N1—C1 | 107.6 (5) | C15—C16—C21 | 106.6 (6) |
| N2—N1—Cu1 | 127.4 (5) | C15—C16—C17 | 132.2 (7) |
| C1—N1—Cu1 | 125.0 (5) | C21—C16—C17 | 121.2 (7) |
| N1—N2—C7 | 110.5 (6) | C18—C17—C16 | 117.3 (8) |
| N1—N2—H2N | 124.8 | C18—C17—H17 | 121.3 |
| C7—N2—H2N | 124.8 | C16—C17—H17 | 121.3 |
| C8—N3—N4 | 106.6 (6) | C17—C18—C19 | 122.6 (9) |
| C8—N3—Cu1 | 129.2 (5) | C17—C18—H18 | 118.7 |
| N4—N3—Cu1 | 124.0 (6) | C19—C18—H18 | 118.7 |
| N3—N4—C14 | 112.1 (6) | C18—C19—C20 | 121.9 (8) |
| N3—N4—H4N | 124.0 | C18—C19—H19 | 119.1 |
| C14—N4—H4N | 124.0 | C20—C19—H19 | 119.1 |
| C15—N5—N6 | 105.9 (6) | C19—C20—C21 | 117.1 (7) |
| C15—N5—Cu2 | 127.4 (6) | C19—C20—H20 | 121.5 |
| N6—N5—Cu2 | 126.4 (7) | C21—C20—H20 | 121.5 |
| N5—N6—C21 | 111.7 (7) | C16—C21—C20 | 119.8 (6) |
| N5—N6—H6N | 124.1 | C16—C21—N6 | 102.9 (6) |
| C21—N6—H6N | 124.1 | C20—C21—N6 | 137.2 (7) |
| C22—N7—N8 | 108.1 (6) | N7—C22—C23 | 108.8 (8) |
| C22—N7—Cu2 | 131.1 (6) | N7—C22—H22 | 125.6 |
| N8—N7—Cu2 | 120.6 (6) | C23—C22—H22 | 125.6 |
| N7—N8—C28 | 110.0 (7) | C28—C23—C24 | 118.2 (8) |
| N7—N8—H8N | 125.0 | C28—C23—C22 | 105.7 (7) |
| C28—N8—H8N | 125.0 | C24—C23—C22 | 136.1 (10) |
| N1—C1—C2 | 110.9 (6) | C25—C24—C23 | 117.5 (10) |
| N1—C1—H1 | 124.6 | C25—C24—H24 | 121.2 |
| C2—C1—H1 | 124.6 | C23—C24—H24 | 121.2 |
| C1—C2—C7 | 106.1 (5) | C26—C25—C24 | 122.1 (9) |
| C1—C2—C3 | 134.0 (7) | C26—C25—H25 | 119.0 |
| C7—C2—C3 | 119.9 (6) | C24—C25—H25 | 119.0 |
| C4—C3—C2 | 118.4 (8) | C27—C26—C25 | 121.9 (10) |
| C4—C3—H3 | 120.8 | C27—C26—H26 | 119.0 |
| C2—C3—H3 | 120.8 | C25—C26—H26 | 119.0 |
| C3—C4—C5 | 122.1 (7) | C26—C27—C28 | 116.4 (10) |
| C3—C4—H4 | 119.0 | C26—C27—H27 | 121.8 |
| C5—C4—H4 | 119.0 | C28—C27—H27 | 121.8 |
| C6—C5—C4 | 120.4 (7) | N8—C28—C23 | 107.4 (7) |
| C6—C5—H5 | 119.8 | N8—C28—C27 | 128.8 (9) |
| C4—C5—H5 | 119.8 | C23—C28—C27 | 123.8 (8) |
| N3—Cu1—N1—N2 | −93.9 (5) | C5—C6—C7—N2 | 179.1 (7) |
| N3i—Cu1—N1—N2 | 86.1 (5) | N1—N2—C7—C2 | −0.1 (7) |
| Br1i—Cu1—N1—N2 | −3.6 (5) | N1—N2—C7—C6 | 178.9 (7) |
| Br1—Cu1—N1—N2 | 176.4 (5) | N4—N3—C8—C9 | −0.4 (8) |
| N3—Cu1—N1—C1 | 84.4 (5) | Cu1—N3—C8—C9 | 174.8 (4) |
| N3i—Cu1—N1—C1 | −95.6 (5) | N3—C8—C9—C10 | −178.6 (8) |
| Br1i—Cu1—N1—C1 | 174.6 (5) | N3—C8—C9—C14 | 0.5 (7) |
| Br1—Cu1—N1—C1 | −5.4 (5) | C8—C9—C10—C11 | 178.9 (7) |
| C1—N1—N2—C7 | −0.5 (7) | C14—C9—C10—C11 | −0.2 (11) |
| Cu1—N1—N2—C7 | 178.0 (4) | C9—C10—C11—C12 | 0.4 (13) |
| N1—Cu1—N3—C8 | −91.4 (6) | C10—C11—C12—C13 | −0.7 (13) |
| N1i—Cu1—N3—C8 | 88.6 (6) | C11—C12—C13—C14 | 0.7 (12) |
| Br1i—Cu1—N3—C8 | 178.8 (6) | N3—N4—C14—C13 | 178.6 (7) |
| Br1—Cu1—N3—C8 | −1.2 (6) | N3—N4—C14—C9 | 0.3 (7) |
| N1—Cu1—N3—N4 | 83.0 (5) | C12—C13—C14—N4 | −178.6 (7) |
| N1i—Cu1—N3—N4 | −97.0 (5) | C12—C13—C14—C9 | −0.5 (10) |
| Br1i—Cu1—N3—N4 | −6.8 (5) | C8—C9—C14—N4 | −0.5 (7) |
| Br1—Cu1—N3—N4 | 173.2 (5) | C10—C9—C14—N4 | 178.9 (6) |
| C8—N3—N4—C14 | 0.1 (7) | C8—C9—C14—C13 | −179.1 (6) |
| Cu1—N3—N4—C14 | −175.4 (4) | C10—C9—C14—C13 | 0.2 (10) |
| N7ii—Cu2—N5—C15 | 91.4 (7) | N6—N5—C15—C16 | −0.1 (8) |
| N7—Cu2—N5—C15 | −88.6 (7) | Cu2—N5—C15—C16 | −173.3 (4) |
| Br2—Cu2—N5—C15 | 2.0 (6) | N5—C15—C16—C21 | −0.2 (8) |
| Br2ii—Cu2—N5—C15 | −178.0 (6) | N5—C15—C16—C17 | −179.4 (7) |
| N7ii—Cu2—N5—N6 | −80.5 (6) | C15—C16—C17—C18 | −179.4 (8) |
| N7—Cu2—N5—N6 | 99.5 (6) | C21—C16—C17—C18 | 1.5 (11) |
| Br2—Cu2—N5—N6 | −170.0 (6) | C16—C17—C18—C19 | −1.3 (14) |
| Br2ii—Cu2—N5—N6 | 10.0 (6) | C17—C18—C19—C20 | −0.2 (15) |
| C15—N5—N6—C21 | 0.3 (8) | C18—C19—C20—C21 | 1.5 (13) |
| Cu2—N5—N6—C21 | 173.7 (4) | C15—C16—C21—C20 | −179.5 (6) |
| N5ii—Cu2—N7—C22 | −92.2 (7) | C17—C16—C21—C20 | −0.2 (10) |
| N5—Cu2—N7—C22 | 87.8 (7) | C15—C16—C21—N6 | 0.4 (7) |
| Br2—Cu2—N7—C22 | 0.3 (7) | C17—C16—C21—N6 | 179.7 (6) |
| Br2ii—Cu2—N7—C22 | −179.7 (7) | C19—C20—C21—C16 | −1.3 (11) |
| N5ii—Cu2—N7—N8 | 83.4 (6) | C19—C20—C21—N6 | 178.9 (7) |
| N5—Cu2—N7—N8 | −96.6 (6) | N5—N6—C21—C16 | −0.4 (7) |
| Br2—Cu2—N7—N8 | 175.8 (5) | N5—N6—C21—C20 | 179.4 (8) |
| Br2ii—Cu2—N7—N8 | −4.2 (5) | N8—N7—C22—C23 | −0.7 (8) |
| C22—N7—N8—C28 | 0.8 (8) | Cu2—N7—C22—C23 | 175.2 (5) |
| Cu2—N7—N8—C28 | −175.7 (5) | N7—C22—C23—C28 | 0.4 (8) |
| N2—N1—C1—C2 | 0.9 (7) | N7—C22—C23—C24 | 178.5 (8) |
| Cu1—N1—C1—C2 | −177.6 (4) | C28—C23—C24—C25 | −1.7 (11) |
| N1—C1—C2—C7 | −1.0 (7) | C22—C23—C24—C25 | −179.7 (8) |
| N1—C1—C2—C3 | 179.1 (7) | C23—C24—C25—C26 | 0.6 (14) |
| C1—C2—C3—C4 | −179.0 (7) | C24—C25—C26—C27 | 0.0 (15) |
| C7—C2—C3—C4 | 1.1 (11) | C25—C26—C27—C28 | 0.5 (14) |
| C2—C3—C4—C5 | −3.0 (12) | N7—N8—C28—C23 | −0.5 (8) |
| C3—C4—C5—C6 | 2.4 (12) | N7—N8—C28—C27 | 178.6 (7) |
| C4—C5—C6—C7 | 0.2 (11) | C24—C23—C28—N8 | −178.4 (7) |
| C1—C2—C7—C6 | −178.5 (6) | C22—C23—C28—N8 | 0.1 (8) |
| C3—C2—C7—C6 | 1.4 (10) | C24—C23—C28—C27 | 2.4 (11) |
| C1—C2—C7—N2 | 0.6 (7) | C22—C23—C28—C27 | −179.1 (7) |
| C3—C2—C7—N2 | −179.4 (6) | C26—C27—C28—N8 | 179.2 (8) |
| C5—C6—C7—C2 | −2.0 (10) | C26—C27—C28—C23 | −1.7 (13) |
Selected bond lengths (Å)
| Cu1—N1 | 2.027 (5) |
| Cu1—N3 | 2.008 (6) |
| Cu1—Br1 | 3.033 (1) |
| Cu2—N5 | 2.024 (7) |
| Cu2—N7 | 2.023 (6) |
| Cu2—Br2 | 2.980 (1) |