| Literature DB >> 21589235 |
Jianhua Nie1, Jun Wang, Chuntao Dai.
Abstract
In the title coordination polymer, {[Cu(CN)(C(12)H(10)N(2))]·0.5C(2)H(5)OH}(n), there are two Cu(I) ions, two 1,10-phenanthroline (phen) ligands and two cyanide ions in the asymmetric unit along with a highly disordered ethanol solvent mol-ecule, which was modelled as being disordered over two sets of sites in a 0.829 (7):0.171 (7) ratio. The orientation/ordering of the C and N atoms of the cyanide ions could not be determined in the present refinement and they were modelled as being statistically disordered. Both copper ions are coordinated by an N,N'-bidentate phen ligand and two cyanide ligands, generating distorted tetra-hedral CuN(2)Q(2) (Q = C or N) tetra-hedra. The μ-cyanide ligands link the metal ions, forming a zigzag chain propagating in [001]. The chains are cross-linked by numerous aromatic π-π stacking contacts between adjacent phen rings [minimum centroid-centroid separation = 3.620 (3) Å].Entities:
Year: 2010 PMID: 21589235 PMCID: PMC3011795 DOI: 10.1107/S1600536810045186
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Cu(CN)(C12H10N2)]·0.5C2H6O | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 4800 reflections |
| θ = 1.4–28.0° | |
| µ = 1.80 mm−1 | |
| β = 109.974 (2)° | Block, yellow |
| 0.25 × 0.23 × 0.19 mm | |
| Bruker APEXII area-detector diffractometer | 4729 independent reflections |
| Radiation source: fine-focus sealed tube | 2624 reflections with |
| graphite | |
| φ and ω scans | θmax = 26.0°, θmin = 2.3° |
| Absorption correction: multi-scan ( | |
| 21068 measured reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H-atom parameters constrained | |
| 4729 reflections | (Δ/σ)max = 0.004 |
| 344 parameters | Δρmax = 0.37 e Å−3 |
| 65 restraints | Δρmin = −0.53 e Å−3 |
| Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > 2sigma(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. |
| Occ. (<1) | |||||
| Cu1 | 0.19744 (4) | 0.57901 (10) | 0.46043 (5) | 0.0533 (3) | |
| Cu2 | 0.32714 (4) | 0.65348 (10) | 0.77685 (4) | 0.0523 (3) | |
| C1 | 0.2519 (3) | 0.5967 (7) | 0.5813 (4) | 0.0557 (15) | 0.50 |
| N1' | 0.2519 (3) | 0.5967 (7) | 0.5813 (4) | 0.0557 (15) | 0.50 |
| C2 | 0.2732 (3) | 0.7392 (7) | 0.3409 (3) | 0.0470 (13) | 0.50 |
| N2' | 0.2732 (3) | 0.7392 (7) | 0.3409 (3) | 0.0470 (13) | 0.50 |
| N1 | 0.2828 (3) | 0.6179 (7) | 0.6549 (3) | 0.0501 (14) | 0.50 |
| C1' | 0.2828 (3) | 0.6179 (7) | 0.6549 (3) | 0.0501 (14) | 0.50 |
| N2 | 0.2420 (3) | 0.6744 (7) | 0.3810 (3) | 0.0477 (14) | 0.50 |
| C2' | 0.2420 (3) | 0.6744 (7) | 0.3810 (3) | 0.0477 (14) | 0.50 |
| C3 | 0.0414 (4) | 0.7502 (8) | 0.4464 (4) | 0.0511 (16) | |
| H3 | 0.0709 | 0.8383 | 0.4719 | 0.061* | |
| C4 | −0.0382 (4) | 0.7600 (9) | 0.4252 (4) | 0.0624 (18) | |
| H4 | −0.0610 | 0.8524 | 0.4363 | 0.075* | |
| C5 | −0.0817 (4) | 0.6332 (10) | 0.3883 (4) | 0.0644 (19) | |
| H5 | −0.1349 | 0.6380 | 0.3736 | 0.077* | |
| C6 | −0.0470 (3) | 0.4939 (8) | 0.3722 (3) | 0.0472 (15) | |
| C7 | −0.0889 (4) | 0.3551 (10) | 0.3317 (4) | 0.0605 (19) | |
| H7 | −0.1423 | 0.3555 | 0.3143 | 0.073* | |
| C8 | −0.0529 (4) | 0.2249 (9) | 0.3185 (4) | 0.0594 (18) | |
| H8 | −0.0818 | 0.1375 | 0.2911 | 0.071* | |
| C9 | 0.0284 (4) | 0.2175 (8) | 0.3455 (3) | 0.0491 (15) | |
| C10 | 0.0687 (4) | 0.0835 (9) | 0.3361 (4) | 0.0640 (19) | |
| H10 | 0.0424 | −0.0067 | 0.3086 | 0.077* | |
| C11 | 0.1467 (5) | 0.0854 (9) | 0.3675 (5) | 0.071 (2) | |
| H11 | 0.1741 | −0.0056 | 0.3639 | 0.085* | |
| C12 | 0.1861 (4) | 0.2228 (9) | 0.4050 (4) | 0.0619 (18) | |
| H12 | 0.2396 | 0.2219 | 0.4249 | 0.074* | |
| C13 | 0.0718 (3) | 0.3522 (7) | 0.3842 (3) | 0.0390 (13) | |
| C14 | 0.0331 (3) | 0.4941 (7) | 0.3959 (3) | 0.0397 (13) | |
| C15 | 0.4760 (4) | 0.8556 (8) | 0.8029 (4) | 0.0519 (16) | |
| H15 | 0.4437 | 0.9339 | 0.7698 | 0.062* | |
| C16 | 0.5546 (4) | 0.8874 (9) | 0.8372 (4) | 0.0601 (18) | |
| H16 | 0.5737 | 0.9853 | 0.8276 | 0.072* | |
| C17 | 0.6029 (3) | 0.7741 (9) | 0.8847 (4) | 0.0586 (18) | |
| H17 | 0.6554 | 0.7944 | 0.9081 | 0.070* | |
| C18 | 0.5739 (3) | 0.6280 (8) | 0.8983 (4) | 0.0513 (17) | |
| C19 | 0.6205 (4) | 0.5004 (10) | 0.9452 (4) | 0.0663 (19) | |
| H19 | 0.6735 | 0.5141 | 0.9693 | 0.080* | |
| C20 | 0.5893 (4) | 0.3616 (10) | 0.9550 (4) | 0.070 (2) | |
| H20 | 0.6211 | 0.2808 | 0.9862 | 0.084* | |
| C21 | 0.5079 (4) | 0.3337 (8) | 0.9189 (4) | 0.0519 (16) | |
| C22 | 0.4723 (5) | 0.1913 (10) | 0.9253 (5) | 0.074 (2) | |
| H22 | 0.5018 | 0.1072 | 0.9559 | 0.089* | |
| C23 | 0.3964 (5) | 0.1732 (9) | 0.8881 (5) | 0.078 (2) | |
| H23 | 0.3729 | 0.0772 | 0.8924 | 0.094* | |
| C24 | 0.3532 (4) | 0.2993 (9) | 0.8432 (4) | 0.0617 (18) | |
| H24 | 0.3005 | 0.2848 | 0.8168 | 0.074* | |
| C25 | 0.4607 (3) | 0.4565 (7) | 0.8732 (3) | 0.0419 (14) | |
| C26 | 0.4937 (3) | 0.6066 (7) | 0.8619 (3) | 0.0390 (14) | |
| N3 | 0.0772 (2) | 0.6226 (6) | 0.4324 (3) | 0.0404 (12) | |
| N4 | 0.1499 (3) | 0.3554 (6) | 0.4134 (3) | 0.0466 (12) | |
| N5 | 0.4451 (2) | 0.7205 (6) | 0.8149 (3) | 0.0392 (11) | |
| N6 | 0.3829 (3) | 0.4406 (6) | 0.8355 (3) | 0.0424 (12) | |
| C27 | 0.1951 (6) | 0.5287 (13) | 0.0858 (7) | 0.100 (4) | 0.829 (7) |
| H27A | 0.2274 | 0.5476 | 0.0520 | 0.150* | 0.829 (7) |
| H27B | 0.1758 | 0.6283 | 0.0984 | 0.150* | 0.829 (7) |
| H27C | 0.1528 | 0.4620 | 0.0541 | 0.150* | 0.829 (7) |
| C28 | 0.2396 (8) | 0.450 (4) | 0.1658 (10) | 0.112 (6) | 0.829 (7) |
| H28A | 0.2562 | 0.3474 | 0.1522 | 0.135* | 0.829 (7) |
| H28B | 0.2853 | 0.5131 | 0.1940 | 0.135* | 0.829 (7) |
| O1 | 0.2007 (8) | 0.4284 (18) | 0.2226 (10) | 0.274 (9) | 0.829 (7) |
| H1 | 0.1873 | 0.5150 | 0.2355 | 0.411* | 0.829 (7) |
| C27' | 0.230 (3) | 0.475 (17) | 0.147 (6) | 0.100 (4) | 0.171 (7) |
| H27D | 0.2071 | 0.3846 | 0.1122 | 0.150* | 0.171 (7) |
| H27E | 0.1988 | 0.5674 | 0.1261 | 0.150* | 0.171 (7) |
| H27F | 0.2345 | 0.4553 | 0.2057 | 0.150* | 0.171 (7) |
| C28' | 0.309 (3) | 0.503 (8) | 0.142 (3) | 0.112 (6) | 0.171 (7) |
| H28C | 0.3146 | 0.4410 | 0.0951 | 0.135* | 0.171 (7) |
| H28D | 0.3145 | 0.6143 | 0.1304 | 0.135* | 0.171 (7) |
| O1' | 0.367 (3) | 0.459 (8) | 0.220 (4) | 0.274 (9) | 0.171 (7) |
| H1' | 0.3630 | 0.3649 | 0.2298 | 0.411* | 0.171 (7) |
| Cu1 | 0.0405 (4) | 0.0661 (6) | 0.0510 (4) | −0.0090 (4) | 0.0126 (3) | −0.0044 (4) |
| Cu2 | 0.0375 (4) | 0.0655 (6) | 0.0503 (4) | 0.0059 (4) | 0.0103 (3) | −0.0013 (4) |
| C1 | 0.038 (3) | 0.074 (4) | 0.053 (3) | 0.005 (3) | 0.013 (3) | 0.002 (3) |
| N1' | 0.038 (3) | 0.074 (4) | 0.053 (3) | 0.005 (3) | 0.013 (3) | 0.002 (3) |
| C2 | 0.039 (3) | 0.054 (4) | 0.044 (3) | −0.001 (3) | 0.009 (2) | −0.001 (3) |
| N2' | 0.039 (3) | 0.054 (4) | 0.044 (3) | −0.001 (3) | 0.009 (2) | −0.001 (3) |
| C3 | 0.064 (4) | 0.041 (4) | 0.049 (3) | 0.002 (3) | 0.020 (3) | 0.003 (3) |
| C4 | 0.063 (5) | 0.054 (5) | 0.071 (4) | 0.021 (4) | 0.024 (4) | 0.008 (4) |
| C5 | 0.042 (4) | 0.082 (6) | 0.069 (4) | 0.012 (4) | 0.019 (3) | 0.014 (4) |
| C6 | 0.037 (3) | 0.059 (4) | 0.044 (3) | −0.003 (3) | 0.012 (2) | 0.009 (3) |
| C7 | 0.036 (3) | 0.086 (6) | 0.055 (4) | −0.017 (4) | 0.011 (3) | 0.008 (4) |
| C8 | 0.056 (4) | 0.063 (5) | 0.057 (4) | −0.020 (4) | 0.016 (3) | −0.008 (4) |
| C9 | 0.061 (4) | 0.047 (4) | 0.045 (3) | −0.009 (3) | 0.025 (3) | −0.004 (3) |
| C10 | 0.086 (6) | 0.056 (5) | 0.056 (4) | −0.009 (4) | 0.031 (4) | −0.008 (3) |
| C11 | 0.094 (6) | 0.050 (5) | 0.076 (5) | 0.017 (4) | 0.038 (4) | −0.001 (4) |
| C12 | 0.062 (4) | 0.061 (5) | 0.063 (4) | 0.018 (4) | 0.022 (3) | 0.003 (4) |
| C13 | 0.042 (3) | 0.043 (4) | 0.035 (3) | −0.001 (3) | 0.017 (2) | 0.001 (3) |
| C14 | 0.038 (3) | 0.046 (4) | 0.035 (3) | −0.001 (3) | 0.012 (2) | 0.003 (3) |
| C15 | 0.055 (4) | 0.053 (4) | 0.049 (3) | −0.007 (3) | 0.019 (3) | 0.004 (3) |
| C16 | 0.059 (4) | 0.067 (5) | 0.064 (4) | −0.022 (4) | 0.033 (3) | −0.001 (4) |
| C17 | 0.036 (3) | 0.080 (5) | 0.060 (4) | −0.017 (4) | 0.015 (3) | −0.008 (4) |
| C18 | 0.032 (3) | 0.072 (5) | 0.048 (3) | 0.001 (3) | 0.011 (3) | −0.005 (3) |
| C19 | 0.039 (4) | 0.084 (6) | 0.061 (4) | 0.010 (4) | −0.002 (3) | 0.003 (4) |
| C20 | 0.060 (5) | 0.087 (6) | 0.052 (4) | 0.034 (4) | 0.004 (3) | 0.011 (4) |
| C21 | 0.069 (4) | 0.041 (4) | 0.046 (3) | 0.014 (3) | 0.019 (3) | 0.003 (3) |
| C22 | 0.097 (6) | 0.059 (6) | 0.068 (4) | 0.021 (5) | 0.031 (4) | 0.009 (4) |
| C23 | 0.110 (7) | 0.045 (5) | 0.094 (6) | −0.010 (5) | 0.053 (5) | 0.009 (4) |
| C24 | 0.065 (4) | 0.061 (5) | 0.064 (4) | −0.021 (4) | 0.029 (3) | −0.010 (4) |
| C25 | 0.041 (3) | 0.052 (4) | 0.032 (3) | 0.005 (3) | 0.011 (2) | −0.006 (3) |
| C26 | 0.036 (3) | 0.048 (4) | 0.033 (3) | −0.002 (3) | 0.011 (2) | −0.008 (3) |
| N1 | 0.033 (3) | 0.064 (4) | 0.052 (3) | 0.010 (3) | 0.013 (2) | −0.009 (3) |
| C1' | 0.033 (3) | 0.064 (4) | 0.052 (3) | 0.010 (3) | 0.013 (2) | −0.009 (3) |
| N2 | 0.036 (3) | 0.060 (4) | 0.044 (3) | −0.003 (3) | 0.011 (2) | −0.001 (3) |
| C2' | 0.036 (3) | 0.060 (4) | 0.044 (3) | −0.003 (3) | 0.011 (2) | −0.001 (3) |
| N3 | 0.041 (3) | 0.041 (3) | 0.038 (2) | 0.000 (2) | 0.013 (2) | 0.000 (2) |
| N4 | 0.040 (3) | 0.058 (4) | 0.042 (2) | 0.010 (3) | 0.015 (2) | −0.002 (2) |
| N5 | 0.039 (3) | 0.041 (3) | 0.036 (2) | 0.003 (2) | 0.011 (2) | 0.000 (2) |
| N6 | 0.047 (3) | 0.044 (3) | 0.041 (2) | −0.006 (2) | 0.020 (2) | −0.004 (2) |
| C27 | 0.084 (8) | 0.078 (8) | 0.118 (9) | −0.019 (6) | 0.008 (6) | −0.006 (7) |
| C28 | 0.100 (10) | 0.134 (17) | 0.119 (13) | −0.017 (9) | 0.058 (9) | −0.018 (11) |
| O1 | 0.205 (14) | 0.190 (14) | 0.35 (2) | 0.042 (11) | 0.002 (13) | −0.103 (14) |
| C27' | 0.084 (8) | 0.078 (8) | 0.118 (9) | −0.019 (6) | 0.008 (6) | −0.006 (7) |
| C28' | 0.100 (10) | 0.134 (17) | 0.119 (13) | −0.017 (9) | 0.058 (9) | −0.018 (11) |
| O1' | 0.205 (14) | 0.190 (14) | 0.35 (2) | 0.042 (11) | 0.002 (13) | −0.103 (14) |
| Cu1—C1 | 1.910 (6) | C15—C16 | 1.393 (8) |
| Cu1—N1' | 1.910 (6) | C15—H15 | 0.9300 |
| Cu1—N2 | 1.944 (6) | C16—C17 | 1.357 (9) |
| Cu1—C2' | 1.944 (6) | C16—H16 | 0.9300 |
| Cu1—N4 | 2.108 (5) | C17—C18 | 1.389 (9) |
| Cu1—N3 | 2.142 (4) | C17—H17 | 0.9300 |
| Cu2—N2'i | 1.909 (6) | C18—C26 | 1.409 (7) |
| Cu2—C2i | 1.909 (6) | C18—C19 | 1.427 (9) |
| Cu2—N1 | 1.921 (5) | C19—C20 | 1.336 (10) |
| Cu2—C1' | 1.921 (5) | C19—H19 | 0.9300 |
| Cu2—N6 | 2.126 (5) | C20—C21 | 1.435 (9) |
| Cu2—N5 | 2.130 (4) | C20—H20 | 0.9300 |
| C1—N1 | 1.167 (7) | C21—C22 | 1.387 (10) |
| C2—N2 | 1.154 (6) | C21—C25 | 1.395 (8) |
| C2—Cu2ii | 1.909 (6) | C22—C23 | 1.335 (10) |
| C3—N3 | 1.322 (7) | C22—H22 | 0.9300 |
| C3—C4 | 1.395 (9) | C23—C24 | 1.380 (10) |
| C3—H3 | 0.9300 | C23—H23 | 0.9300 |
| C4—C5 | 1.348 (9) | C24—N6 | 1.332 (8) |
| C4—H4 | 0.9300 | C24—H24 | 0.9300 |
| C5—C6 | 1.405 (9) | C25—N6 | 1.365 (7) |
| C5—H5 | 0.9300 | C25—C26 | 1.441 (8) |
| C6—C14 | 1.395 (7) | C26—N5 | 1.358 (7) |
| C6—C7 | 1.433 (9) | C27—C28 | 1.454 (9) |
| C7—C8 | 1.337 (9) | C27—H27A | 0.9600 |
| C7—H7 | 0.9300 | C27—H27B | 0.9600 |
| C8—C9 | 1.416 (8) | C27—H27C | 0.9600 |
| C8—H8 | 0.9300 | C28—O1 | 1.375 (9) |
| C9—C10 | 1.387 (9) | C28—H28A | 0.9700 |
| C9—C13 | 1.408 (8) | C28—H28B | 0.9700 |
| C10—C11 | 1.356 (9) | O1—H1 | 0.8200 |
| C10—H10 | 0.9300 | C27'—C28' | 1.503 (10) |
| C11—C12 | 1.393 (10) | C27'—H27D | 0.9600 |
| C11—H11 | 0.9300 | C27'—H27E | 0.9600 |
| C12—N4 | 1.331 (8) | C27'—H27F | 0.9600 |
| C12—H12 | 0.9300 | C28'—O1' | 1.415 (10) |
| C13—N4 | 1.357 (7) | C28'—H28C | 0.9700 |
| C13—C14 | 1.437 (8) | C28'—H28D | 0.9700 |
| C14—N3 | 1.363 (7) | O1'—H1' | 0.8200 |
| C15—N5 | 1.316 (7) | ||
| C1—Cu1—N2 | 118.7 (2) | C20—C19—H19 | 119.4 |
| C1—Cu1—N4 | 117.3 (2) | C18—C19—H19 | 119.4 |
| N2—Cu1—N4 | 109.8 (2) | C19—C20—C21 | 121.8 (6) |
| C1—Cu1—N3 | 110.49 (19) | C19—C20—H20 | 119.1 |
| N2—Cu1—N3 | 115.55 (19) | C21—C20—H20 | 119.1 |
| N4—Cu1—N3 | 78.53 (18) | C22—C21—C25 | 116.9 (6) |
| C2i—Cu2—N1 | 122.6 (2) | C22—C21—C20 | 124.5 (7) |
| C2i—Cu2—N6 | 114.1 (2) | C25—C21—C20 | 118.6 (6) |
| N1—Cu2—N6 | 108.3 (2) | C23—C22—C21 | 121.0 (7) |
| C2i—Cu2—N5 | 112.80 (19) | C23—C22—H22 | 119.5 |
| N1—Cu2—N5 | 112.18 (19) | C21—C22—H22 | 119.5 |
| N6—Cu2—N5 | 78.45 (18) | C22—C23—C24 | 118.9 (7) |
| N1—C1—Cu1 | 175.2 (5) | C22—C23—H23 | 120.5 |
| N2—C2—Cu2ii | 178.6 (5) | C24—C23—H23 | 120.5 |
| N3—C3—C4 | 123.5 (6) | N6—C24—C23 | 123.6 (7) |
| N3—C3—H3 | 118.2 | N6—C24—H24 | 118.2 |
| C4—C3—H3 | 118.2 | C23—C24—H24 | 118.2 |
| C5—C4—C3 | 118.9 (6) | N6—C25—C21 | 122.8 (6) |
| C5—C4—H4 | 120.6 | N6—C25—C26 | 117.0 (5) |
| C3—C4—H4 | 120.6 | C21—C25—C26 | 120.2 (5) |
| C4—C5—C6 | 120.2 (6) | N5—C26—C18 | 123.2 (6) |
| C4—C5—H5 | 119.9 | N5—C26—C25 | 117.7 (5) |
| C6—C5—H5 | 119.9 | C18—C26—C25 | 119.1 (5) |
| C14—C6—C5 | 117.1 (6) | C1—N1—Cu2 | 176.2 (5) |
| C14—C6—C7 | 119.0 (6) | C2—N2—Cu1 | 173.2 (5) |
| C5—C6—C7 | 123.9 (6) | C3—N3—C14 | 117.4 (5) |
| C8—C7—C6 | 121.4 (6) | C3—N3—Cu1 | 130.2 (4) |
| C8—C7—H7 | 119.3 | C14—N3—Cu1 | 112.3 (4) |
| C6—C7—H7 | 119.3 | C12—N4—C13 | 117.3 (6) |
| C7—C8—C9 | 121.3 (6) | C12—N4—Cu1 | 128.5 (4) |
| C7—C8—H8 | 119.4 | C13—N4—Cu1 | 114.1 (4) |
| C9—C8—H8 | 119.4 | C15—N5—C26 | 117.3 (5) |
| C10—C9—C13 | 117.4 (6) | C15—N5—Cu2 | 129.6 (4) |
| C10—C9—C8 | 123.6 (6) | C26—N5—Cu2 | 113.1 (4) |
| C13—C9—C8 | 119.1 (6) | C24—N6—C25 | 116.6 (5) |
| C11—C10—C9 | 119.3 (7) | C24—N6—Cu2 | 130.0 (4) |
| C11—C10—H10 | 120.4 | C25—N6—Cu2 | 113.4 (4) |
| C9—C10—H10 | 120.4 | C28—C27—H27A | 109.5 |
| C10—C11—C12 | 120.4 (7) | C28—C27—H27B | 109.5 |
| C10—C11—H11 | 119.8 | H27A—C27—H27B | 109.5 |
| C12—C11—H11 | 119.8 | C28—C27—H27C | 109.5 |
| N4—C12—C11 | 122.3 (6) | H27A—C27—H27C | 109.5 |
| N4—C12—H12 | 118.8 | H27B—C27—H27C | 109.5 |
| C11—C12—H12 | 118.8 | O1—C28—C27 | 114.6 (13) |
| N4—C13—C9 | 123.3 (6) | O1—C28—H28A | 108.6 |
| N4—C13—C14 | 117.0 (5) | C27—C28—H28A | 108.6 |
| C9—C13—C14 | 119.7 (5) | O1—C28—H28B | 108.6 |
| N3—C14—C6 | 122.8 (6) | C27—C28—H28B | 108.6 |
| N3—C14—C13 | 117.8 (5) | H28A—C28—H28B | 107.6 |
| C6—C14—C13 | 119.3 (5) | C28—O1—H1 | 109.5 |
| N5—C15—C16 | 123.3 (6) | C28'—C27'—H27D | 109.5 |
| N5—C15—H15 | 118.3 | C28'—C27'—H27E | 109.5 |
| C16—C15—H15 | 118.3 | H27D—C27'—H27E | 109.5 |
| C17—C16—C15 | 119.4 (6) | C28'—C27'—H27F | 109.5 |
| C17—C16—H16 | 120.3 | H27D—C27'—H27F | 109.5 |
| C15—C16—H16 | 120.3 | H27E—C27'—H27F | 109.5 |
| C16—C17—C18 | 119.9 (6) | O1'—C28'—C27' | 111.5 (16) |
| C16—C17—H17 | 120.0 | O1'—C28'—H28C | 109.3 |
| C18—C17—H17 | 120.0 | C27'—C28'—H28C | 109.3 |
| C17—C18—C26 | 116.9 (6) | O1'—C28'—H28D | 109.3 |
| C17—C18—C19 | 123.9 (6) | C27'—C28'—H28D | 109.3 |
| C26—C18—C19 | 119.2 (6) | H28C—C28'—H28D | 108.0 |
| C20—C19—C18 | 121.1 (6) | C28'—O1'—H1' | 109.5 |
Selected bond lengths (Å)
| Cu1—C1/N1 | 1.910 (6) |
| Cu1—C2′/N2′ | 1.944 (6) |
| Cu1—N4 | 2.108 (5) |
| Cu1—N3 | 2.142 (4) |
| Cu2—C2i/N2i | 1.909 (6) |
| Cu2—C1′/N1′ | 1.921 (5) |
| Cu2—N6 | 2.126 (5) |
| Cu2—N5 | 2.130 (4) |
Symmetry code: (i) .