| Literature DB >> 21581179 |
Jun Zhao1, Wen-Wen Dong, Dong-Sheng Li, Xi-Jun Ke.
Abstract
In the title complex, [Cu(2)(CN)(NCS)(C(12)H(8)N(2))(2)], which was synthesized under hydro-thermal conditions, both Cu(I) atoms have a slightly distorted tetra-hedral geometry. They are coordinated by two N atoms of one 1,10-phenanthroline ligand, one bridging thio-cyanate anion and one bridging cyanide anion. In the crystal structure, infinite helical {Cu-CN-Cu-SCN}(n) chains are formed along [01].Entities:
Year: 2008 PMID: 21581179 PMCID: PMC2959958 DOI: 10.1107/S1600536808037744
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Cu2(CN)(NCS)(C12H8N2)2] | |
| Monoclinic, | Mo |
| Hall symbol: -P 2yn | Cell parameters from 2103 reflections |
| θ = 2.2–27.5º | |
| µ = 1.90 mm−1 | |
| β = 90.044 (9)º | Prism, red |
| 0.30 × 0.15 × 0.12 mm | |
| Bruker SMART CCD diffractometer | 4959 independent reflections |
| Radiation source: fine-focus sealed tube | 3662 reflections with |
| Monochromator: graphite | |
| Detector resolution: 13.6612 pixels mm-1 | θmax = 27.5º |
| θmin = 2.2º | |
| CCD Profile fitting scans | |
| Absorption correction: multi-scanSADABS (Sheldrick, 1996) | |
| 15496 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 | |
| 4959 reflections | Δρmax = 0.47 e Å−3 |
| 316 parameters | Δρmin = −0.57 e Å−3 |
| Primary atom site location: structure-invariant direct methods | Extinction correction: none |
| 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 |
| Cu1 | 0.08441 (4) | 0.73813 (3) | 0.04132 (4) | 0.06012 (19) | |
| Cu2 | 0.45032 (3) | 0.76203 (3) | −0.04863 (3) | 0.05589 (18) | |
| C1 | 0.3089 (3) | 0.7520 (2) | −0.0233 (3) | 0.0502 (8) | |
| N2 | 0.5019 (2) | 0.8164 (2) | −0.1747 (2) | 0.0623 (7) | |
| N3 | −0.0405 (2) | 0.73312 (19) | −0.0551 (2) | 0.0557 (7) | |
| N4 | 0.0024 (2) | 0.86301 (19) | 0.0898 (2) | 0.0524 (6) | |
| N5 | 0.54334 (18) | 0.8232 (2) | 0.06500 (19) | 0.0501 (6) | |
| N6 | 0.5591 (2) | 0.64667 (19) | −0.02813 (19) | 0.0515 (6) | |
| N1 | 0.2232 (2) | 0.74724 (19) | −0.0059 (2) | 0.0619 (8) | |
| C2 | 0.5338 (2) | 0.8478 (2) | −0.2473 (2) | 0.0505 (7) | |
| C3 | −0.0636 (3) | 0.6686 (3) | −0.1262 (3) | 0.0712 (10) | |
| H3A | −0.0226 | 0.6125 | −0.1325 | 0.085* | |
| C4 | −0.1433 (4) | 0.6793 (3) | −0.1905 (4) | 0.0901 (14) | |
| H4A | −0.1549 | 0.6324 | −0.2397 | 0.108* | |
| C5 | −0.2064 (4) | 0.7608 (3) | −0.1815 (4) | 0.0854 (15) | |
| H5A | −0.2610 | 0.7697 | −0.2248 | 0.103* | |
| C6 | −0.1878 (2) | 0.8295 (2) | −0.1071 (3) | 0.0609 (9) | |
| C7 | −0.2500 (3) | 0.9176 (3) | −0.0924 (3) | 0.0709 (10) | |
| H7A | −0.3060 | 0.9296 | −0.1333 | 0.085* | |
| C8 | −0.2269 (3) | 0.9819 (3) | −0.0200 (3) | 0.0662 (10) | |
| H8A | −0.2675 | 1.0380 | −0.0119 | 0.079* | |
| C9 | −0.1417 (2) | 0.9670 (2) | 0.0451 (3) | 0.0523 (7) | |
| C10 | −0.1156 (3) | 1.0327 (2) | 0.1207 (3) | 0.0597 (9) | |
| H10A | −0.1545 | 1.0896 | 0.1311 | 0.072* | |
| C11 | −0.0333 (3) | 1.0133 (3) | 0.1790 (3) | 0.0682 (10) | |
| H11A | −0.0155 | 1.0563 | 0.2299 | 0.082* | |
| C12 | 0.0254 (3) | 0.9263 (3) | 0.1610 (2) | 0.0625 (9) | |
| H12A | 0.0820 | 0.9135 | 0.2008 | 0.075* | |
| C13 | −0.0798 (2) | 0.8824 (2) | 0.0330 (2) | 0.0473 (7) | |
| C14 | −0.1038 (2) | 0.8128 (2) | −0.0458 (2) | 0.0502 (7) | |
| C15 | 0.5371 (3) | 0.9102 (3) | 0.1122 (3) | 0.0639 (9) | |
| H15A | 0.4849 | 0.9536 | 0.0943 | 0.077* | |
| C16 | 0.6044 (3) | 0.9392 (3) | 0.1865 (3) | 0.0747 (10) | |
| H16A | 0.5968 | 1.0008 | 0.2167 | 0.090* | |
| C17 | 0.6812 (3) | 0.8776 (3) | 0.2149 (3) | 0.0733 (10) | |
| H17A | 0.7253 | 0.8954 | 0.2659 | 0.088* | |
| C18 | 0.6929 (3) | 0.7856 (3) | 0.1653 (3) | 0.0559 (8) | |
| C19 | 0.7759 (3) | 0.7185 (3) | 0.1877 (3) | 0.0692 (10) | |
| H19A | 0.8219 | 0.7332 | 0.2382 | 0.083* | |
| C20 | 0.7865 (3) | 0.6345 (3) | 0.1351 (3) | 0.0696 (10) | |
| H20A | 0.8424 | 0.5937 | 0.1478 | 0.084* | |
| C21 | 0.7157 (2) | 0.6058 (2) | 0.0611 (3) | 0.0581 (8) | |
| C22 | 0.7226 (3) | 0.5174 (3) | 0.0063 (3) | 0.0743 (12) | |
| H22A | 0.7770 | 0.4740 | 0.0168 | 0.089* | |
| C23 | 0.6491 (3) | 0.4955 (3) | −0.0622 (3) | 0.0783 (12) | |
| H23A | 0.6530 | 0.4370 | −0.0985 | 0.094* | |
| C24 | 0.5680 (3) | 0.5616 (3) | −0.0775 (3) | 0.0641 (9) | |
| H24A | 0.5182 | 0.5455 | −0.1240 | 0.077* | |
| C25 | 0.6313 (2) | 0.6691 (2) | 0.0399 (2) | 0.0471 (7) | |
| C26 | 0.6224 (3) | 0.7617 (2) | 0.0929 (2) | 0.0468 (7) | |
| S1 | 0.58145 (8) | 0.89734 (6) | −0.34839 (7) | 0.0644 (3) |
| Cu1 | 0.0442 (3) | 0.0592 (3) | 0.0770 (4) | 0.01178 (17) | 0.0058 (2) | 0.00483 (19) |
| Cu2 | 0.0407 (3) | 0.0623 (3) | 0.0646 (3) | 0.00543 (17) | −0.0032 (2) | 0.00538 (18) |
| C1 | 0.0387 (17) | 0.0418 (15) | 0.070 (2) | 0.0058 (12) | 0.0049 (15) | 0.0057 (13) |
| N2 | 0.0498 (15) | 0.0711 (19) | 0.0659 (18) | −0.0020 (14) | −0.0025 (13) | 0.0112 (15) |
| N3 | 0.0468 (16) | 0.0429 (14) | 0.077 (2) | 0.0043 (11) | 0.0045 (15) | −0.0008 (12) |
| N4 | 0.0538 (14) | 0.0452 (13) | 0.0582 (15) | 0.0046 (12) | 0.0092 (12) | 0.0053 (12) |
| N5 | 0.0421 (13) | 0.0504 (14) | 0.0577 (15) | 0.0087 (11) | 0.0024 (11) | −0.0010 (12) |
| N6 | 0.0503 (14) | 0.0457 (14) | 0.0584 (15) | 0.0028 (11) | 0.0049 (12) | 0.0001 (12) |
| N1 | 0.0516 (19) | 0.0502 (16) | 0.084 (2) | 0.0083 (12) | 0.0027 (16) | 0.0065 (14) |
| C2 | 0.0389 (14) | 0.0447 (16) | 0.068 (2) | 0.0002 (13) | −0.0035 (14) | −0.0008 (14) |
| C3 | 0.061 (2) | 0.056 (2) | 0.097 (3) | 0.0088 (17) | −0.003 (2) | −0.023 (2) |
| C4 | 0.084 (3) | 0.067 (3) | 0.119 (4) | 0.008 (2) | −0.017 (3) | −0.036 (3) |
| C5 | 0.060 (3) | 0.069 (3) | 0.127 (4) | 0.0007 (19) | −0.027 (3) | −0.022 (2) |
| C6 | 0.0396 (15) | 0.0487 (17) | 0.094 (3) | −0.0007 (14) | −0.0049 (16) | −0.0069 (17) |
| C7 | 0.0495 (18) | 0.0507 (19) | 0.113 (3) | 0.0065 (16) | −0.0176 (19) | −0.005 (2) |
| C8 | 0.0518 (19) | 0.0413 (17) | 0.106 (3) | 0.0098 (15) | −0.0004 (19) | 0.0024 (18) |
| C9 | 0.0471 (16) | 0.0394 (15) | 0.071 (2) | 0.0027 (13) | 0.0081 (15) | 0.0049 (14) |
| C10 | 0.067 (2) | 0.0431 (17) | 0.069 (2) | 0.0091 (15) | 0.0118 (18) | 0.0027 (15) |
| C11 | 0.089 (3) | 0.056 (2) | 0.060 (2) | 0.006 (2) | 0.004 (2) | 0.0001 (16) |
| C12 | 0.071 (2) | 0.060 (2) | 0.0563 (19) | 0.0092 (18) | −0.0005 (16) | 0.0008 (16) |
| C13 | 0.0384 (14) | 0.0383 (15) | 0.0653 (18) | 0.0014 (12) | 0.0091 (13) | 0.0044 (13) |
| C14 | 0.0395 (14) | 0.0389 (15) | 0.072 (2) | 0.0000 (12) | 0.0074 (14) | 0.0024 (14) |
| C15 | 0.0590 (19) | 0.060 (2) | 0.072 (2) | 0.0170 (17) | 0.0047 (17) | −0.0110 (17) |
| C16 | 0.078 (2) | 0.074 (2) | 0.072 (2) | 0.011 (2) | −0.001 (2) | −0.023 (2) |
| C17 | 0.071 (2) | 0.085 (3) | 0.065 (2) | −0.006 (2) | −0.0035 (18) | −0.016 (2) |
| C18 | 0.0430 (17) | 0.066 (2) | 0.0590 (19) | −0.0033 (16) | −0.0031 (14) | 0.0115 (17) |
| C19 | 0.049 (2) | 0.086 (3) | 0.072 (2) | 0.003 (2) | −0.0150 (17) | 0.017 (2) |
| C20 | 0.0497 (18) | 0.073 (2) | 0.086 (3) | 0.0160 (18) | −0.0044 (18) | 0.030 (2) |
| C21 | 0.0468 (17) | 0.0500 (18) | 0.077 (2) | 0.0118 (14) | 0.0091 (16) | 0.0149 (16) |
| C22 | 0.072 (3) | 0.052 (2) | 0.099 (3) | 0.0215 (19) | 0.020 (2) | 0.013 (2) |
| C23 | 0.092 (3) | 0.047 (2) | 0.097 (3) | 0.012 (2) | 0.021 (3) | −0.005 (2) |
| C24 | 0.075 (2) | 0.0519 (18) | 0.065 (2) | 0.0020 (17) | 0.0054 (17) | −0.0055 (16) |
| C25 | 0.0397 (14) | 0.0446 (15) | 0.0570 (17) | 0.0076 (12) | 0.0079 (13) | 0.0080 (13) |
| C26 | 0.0429 (17) | 0.0476 (16) | 0.0500 (17) | 0.0051 (12) | 0.0054 (14) | 0.0045 (12) |
| S1 | 0.0725 (6) | 0.0491 (5) | 0.0717 (6) | −0.0137 (4) | 0.0150 (5) | −0.0022 (4) |
| Cu1—N1 | 1.924 (3) | C8—H8A | 0.9300 |
| Cu1—N3 | 2.089 (3) | C9—C10 | 1.395 (5) |
| Cu1—N4 | 2.099 (3) | C9—C13 | 1.406 (4) |
| Cu1—S1i | 2.3581 (13) | C10—C11 | 1.358 (5) |
| Cu2—C1 | 1.882 (3) | C10—H10A | 0.9300 |
| Cu2—N2 | 1.976 (3) | C11—C12 | 1.420 (5) |
| Cu2—N6 | 2.123 (3) | C11—H11A | 0.9300 |
| Cu2—N5 | 2.125 (3) | C12—H12A | 0.9300 |
| C1—N1 | 1.145 (5) | C13—C14 | 1.454 (5) |
| N2—C2 | 1.148 (4) | C15—C16 | 1.391 (5) |
| N3—C3 | 1.331 (5) | C15—H15A | 0.9300 |
| N3—C14 | 1.360 (4) | C16—C17 | 1.356 (6) |
| N4—C12 | 1.322 (4) | C16—H16A | 0.9300 |
| N4—C13 | 1.345 (4) | C17—C18 | 1.417 (5) |
| N5—C15 | 1.336 (4) | C17—H17A | 0.9300 |
| N5—C26 | 1.376 (4) | C18—C26 | 1.382 (5) |
| N6—C24 | 1.331 (4) | C18—C19 | 1.443 (5) |
| N6—C25 | 1.351 (4) | C19—C20 | 1.343 (6) |
| C2—S1 | 1.645 (3) | C19—H19A | 0.9300 |
| C3—C4 | 1.363 (6) | C20—C21 | 1.416 (5) |
| C3—H3A | 0.9300 | C20—H20A | 0.9300 |
| C4—C5 | 1.377 (6) | C21—C22 | 1.406 (5) |
| C4—H4A | 0.9300 | C21—C25 | 1.421 (4) |
| C5—C6 | 1.390 (6) | C22—C23 | 1.366 (6) |
| C5—H5A | 0.9300 | C22—H22A | 0.9300 |
| C6—C14 | 1.392 (5) | C23—C24 | 1.399 (5) |
| C6—C7 | 1.452 (5) | C23—H23A | 0.9300 |
| C7—C8 | 1.341 (5) | C24—H24A | 0.9300 |
| C7—H7A | 0.9300 | C25—C26 | 1.444 (4) |
| C8—C9 | 1.433 (5) | S1—Cu1ii | 2.3581 (13) |
| N1—Cu1—N3 | 121.90 (14) | C9—C10—H10A | 120.1 |
| N1—Cu1—N4 | 122.18 (11) | C10—C11—C12 | 119.1 (3) |
| N3—Cu1—N4 | 79.83 (11) | C10—C11—H11A | 120.5 |
| N1—Cu1—S1i | 105.99 (9) | C12—C11—H11A | 120.5 |
| N3—Cu1—S1i | 110.96 (8) | N4—C12—C11 | 122.4 (3) |
| N4—Cu1—S1i | 114.43 (8) | N4—C12—H12A | 118.8 |
| C1—Cu2—N2 | 121.25 (14) | C11—C12—H12A | 118.8 |
| C1—Cu2—N6 | 125.39 (12) | N4—C13—C9 | 123.2 (3) |
| N2—Cu2—N6 | 98.99 (11) | N4—C13—C14 | 117.7 (3) |
| C1—Cu2—N5 | 117.10 (13) | C9—C13—C14 | 119.0 (3) |
| N2—Cu2—N5 | 106.65 (12) | N3—C14—C6 | 123.4 (3) |
| N6—Cu2—N5 | 78.93 (11) | N3—C14—C13 | 116.6 (3) |
| N1—C1—Cu2 | 178.3 (4) | C6—C14—C13 | 120.1 (3) |
| C2—N2—Cu2 | 178.7 (3) | N5—C15—C16 | 123.6 (3) |
| C3—N3—C14 | 116.5 (3) | N5—C15—H15A | 118.2 |
| C3—N3—Cu1 | 130.5 (2) | C16—C15—H15A | 118.2 |
| C14—N3—Cu1 | 112.9 (2) | C17—C16—C15 | 119.9 (4) |
| C12—N4—C13 | 118.2 (3) | C17—C16—H16A | 120.1 |
| C12—N4—Cu1 | 129.0 (2) | C15—C16—H16A | 120.1 |
| C13—N4—Cu1 | 112.6 (2) | C16—C17—C18 | 118.8 (4) |
| C15—N5—C26 | 116.2 (3) | C16—C17—H17A | 120.6 |
| C15—N5—Cu2 | 130.6 (2) | C18—C17—H17A | 120.6 |
| C26—N5—Cu2 | 113.1 (2) | C26—C18—C17 | 117.9 (3) |
| C24—N6—C25 | 118.3 (3) | C26—C18—C19 | 120.1 (4) |
| C24—N6—Cu2 | 128.5 (3) | C17—C18—C19 | 122.0 (4) |
| C25—N6—Cu2 | 113.0 (2) | C20—C19—C18 | 119.6 (4) |
| C1—N1—Cu1 | 172.5 (4) | C20—C19—H19A | 120.2 |
| N2—C2—S1 | 177.3 (3) | C18—C19—H19A | 120.2 |
| N3—C3—C4 | 124.4 (4) | C19—C20—C21 | 122.5 (3) |
| N3—C3—H3A | 117.8 | C19—C20—H20A | 118.7 |
| C4—C3—H3A | 117.8 | C21—C20—H20A | 118.7 |
| C3—C4—C5 | 118.9 (4) | C22—C21—C20 | 124.2 (3) |
| C3—C4—H4A | 120.5 | C22—C21—C25 | 116.8 (4) |
| C5—C4—H4A | 120.5 | C20—C21—C25 | 118.9 (3) |
| C4—C5—C6 | 119.4 (4) | C23—C22—C21 | 119.7 (3) |
| C4—C5—H5A | 120.3 | C23—C22—H22A | 120.1 |
| C6—C5—H5A | 120.3 | C21—C22—H22A | 120.1 |
| C14—C6—C5 | 117.5 (3) | C22—C23—C24 | 119.5 (4) |
| C14—C6—C7 | 119.4 (3) | C22—C23—H23A | 120.2 |
| C5—C6—C7 | 123.1 (4) | C24—C23—H23A | 120.2 |
| C8—C7—C6 | 120.1 (3) | N6—C24—C23 | 122.7 (4) |
| C8—C7—H7A | 119.9 | N6—C24—H24A | 118.7 |
| C6—C7—H7A | 119.9 | C23—C24—H24A | 118.7 |
| C7—C8—C9 | 122.2 (3) | N6—C25—C21 | 122.9 (3) |
| C7—C8—H8A | 118.9 | N6—C25—C26 | 118.4 (3) |
| C9—C8—H8A | 118.9 | C21—C25—C26 | 118.7 (3) |
| C10—C9—C13 | 117.4 (3) | N5—C26—C18 | 123.6 (3) |
| C10—C9—C8 | 123.4 (3) | N5—C26—C25 | 116.4 (3) |
| C13—C9—C8 | 119.1 (3) | C18—C26—C25 | 120.0 (3) |
| C11—C10—C9 | 119.7 (3) | C2—S1—Cu1ii | 102.69 (12) |
| C11—C10—H10A | 120.1 | ||
| N2—Cu2—C1—N1 | −122 (11) | Cu1—N4—C13—C14 | 4.5 (3) |
| N6—Cu2—C1—N1 | 107 (11) | C10—C9—C13—N4 | −0.5 (4) |
| N5—Cu2—C1—N1 | 11 (11) | C8—C9—C13—N4 | 179.1 (3) |
| C1—Cu2—N2—C2 | 178 (100) | C10—C9—C13—C14 | −179.2 (3) |
| N6—Cu2—N2—C2 | −41 (13) | C8—C9—C13—C14 | 0.3 (4) |
| N5—Cu2—N2—C2 | 40 (13) | C3—N3—C14—C6 | −1.2 (5) |
| N1—Cu1—N3—C3 | 59.4 (4) | Cu1—N3—C14—C6 | 175.1 (3) |
| N4—Cu1—N3—C3 | −178.9 (3) | C3—N3—C14—C13 | 178.9 (3) |
| S1i—Cu1—N3—C3 | −66.5 (3) | Cu1—N3—C14—C13 | −4.8 (4) |
| N1—Cu1—N3—C14 | −116.3 (2) | C5—C6—C14—N3 | −0.3 (5) |
| N4—Cu1—N3—C14 | 5.5 (2) | C7—C6—C14—N3 | −179.0 (3) |
| S1i—Cu1—N3—C14 | 117.9 (2) | C5—C6—C14—C13 | 179.6 (4) |
| N1—Cu1—N4—C12 | −58.1 (3) | C7—C6—C14—C13 | 0.9 (5) |
| N3—Cu1—N4—C12 | −179.6 (3) | N4—C13—C14—N3 | 0.2 (4) |
| S1i—Cu1—N4—C12 | 71.9 (3) | C9—C13—C14—N3 | 179.0 (3) |
| N1—Cu1—N4—C13 | 116.1 (2) | N4—C13—C14—C6 | −179.7 (3) |
| N3—Cu1—N4—C13 | −5.3 (2) | C9—C13—C14—C6 | −0.9 (4) |
| S1i—Cu1—N4—C13 | −113.87 (19) | C26—N5—C15—C16 | −0.8 (5) |
| C1—Cu2—N5—C15 | −55.7 (3) | Cu2—N5—C15—C16 | 179.4 (3) |
| N2—Cu2—N5—C15 | 83.8 (3) | N5—C15—C16—C17 | −0.3 (6) |
| N6—Cu2—N5—C15 | −180.0 (3) | C15—C16—C17—C18 | 2.0 (6) |
| C1—Cu2—N5—C26 | 124.4 (2) | C16—C17—C18—C26 | −2.6 (5) |
| N2—Cu2—N5—C26 | −96.0 (2) | C16—C17—C18—C19 | 176.6 (4) |
| N6—Cu2—N5—C26 | 0.2 (2) | C26—C18—C19—C20 | 2.5 (5) |
| C1—Cu2—N6—C24 | 67.3 (3) | C17—C18—C19—C20 | −176.7 (4) |
| N2—Cu2—N6—C24 | −71.8 (3) | C18—C19—C20—C21 | −3.5 (6) |
| N5—Cu2—N6—C24 | −177.2 (3) | C19—C20—C21—C22 | −178.3 (4) |
| C1—Cu2—N6—C25 | −117.6 (2) | C19—C20—C21—C25 | 1.4 (5) |
| N2—Cu2—N6—C25 | 103.2 (2) | C20—C21—C22—C23 | 178.7 (3) |
| N5—Cu2—N6—C25 | −2.1 (2) | C25—C21—C22—C23 | −0.9 (5) |
| Cu2—C1—N1—Cu1 | −39 (13) | C21—C22—C23—C24 | 0.3 (6) |
| N3—Cu1—N1—C1 | −177 (2) | C25—N6—C24—C23 | −0.6 (5) |
| N4—Cu1—N1—C1 | 85 (2) | Cu2—N6—C24—C23 | 174.2 (3) |
| S1i—Cu1—N1—C1 | −49 (2) | C22—C23—C24—N6 | 0.5 (6) |
| Cu2—N2—C2—S1 | −66 (17) | C24—N6—C25—C21 | −0.2 (4) |
| C14—N3—C3—C4 | 2.1 (6) | Cu2—N6—C25—C21 | −175.7 (2) |
| Cu1—N3—C3—C4 | −173.4 (3) | C24—N6—C25—C26 | 179.4 (3) |
| N3—C3—C4—C5 | −1.3 (8) | Cu2—N6—C25—C26 | 3.9 (3) |
| C3—C4—C5—C6 | −0.3 (8) | C22—C21—C25—N6 | 0.9 (5) |
| C4—C5—C6—C14 | 1.1 (7) | C20—C21—C25—N6 | −178.7 (3) |
| C4—C5—C6—C7 | 179.7 (4) | C22—C21—C25—C26 | −178.7 (3) |
| C14—C6—C7—C8 | −0.4 (6) | C20—C21—C25—C26 | 1.7 (4) |
| C5—C6—C7—C8 | −179.0 (4) | C15—N5—C26—C18 | 0.1 (5) |
| C6—C7—C8—C9 | −0.2 (6) | Cu2—N5—C26—C18 | 180.0 (2) |
| C7—C8—C9—C10 | 179.7 (4) | C15—N5—C26—C25 | −178.1 (3) |
| C7—C8—C9—C13 | 0.2 (5) | Cu2—N5—C26—C25 | 1.8 (3) |
| C13—C9—C10—C11 | −0.1 (5) | C17—C18—C26—N5 | 1.6 (5) |
| C8—C9—C10—C11 | −179.7 (3) | C19—C18—C26—N5 | −177.7 (3) |
| C9—C10—C11—C12 | 0.6 (5) | C17—C18—C26—C25 | 179.7 (3) |
| C13—N4—C12—C11 | −0.2 (5) | C19—C18—C26—C25 | 0.5 (5) |
| Cu1—N4—C12—C11 | 173.8 (2) | N6—C25—C26—N5 | −3.8 (4) |
| C10—C11—C12—N4 | −0.4 (5) | C21—C25—C26—N5 | 175.8 (3) |
| C12—N4—C13—C9 | 0.6 (4) | N6—C25—C26—C18 | 177.9 (3) |
| Cu1—N4—C13—C9 | −174.3 (2) | C21—C25—C26—C18 | −2.5 (4) |
| C12—N4—C13—C14 | 179.4 (3) | N2—C2—S1—Cu1ii | 163 (6) |