| Literature DB >> 21580489 |
Hongsheng Liu1, Lianjiang Su, Limin Wang, Weihong Li.
Abstract
The asymmetric unit of the binuclear title compound, [Cd(2)(NCS)(4)(C(24)H(20)N(6))(2)], contains one half-mol-ecule, consisting of one Cd(2+) cation, two half 1,2-bis-{[2-(2-pyrid-yl)-1H-imidazol-1-yl]meth-yl}benzene (L) ligands and two SCN(-) anions. The dimeric cyclic mol-ecule is completed by crystallographic inversion symmetry. The Cd(2+) cation is coordinated by two N atoms from two SCN(-) anions and four N atoms from two symmetry-related L ligands, exhibiting a distorted octrahedral coordination. A two-dimensional supra-molecular network stacked parallel to [210] is finally formed by linking these dimers through weak π-π stacking inter-actions between the pyridine rings and benzene rings of adjacent dimers, with a plane-to-plane distance of 3.36 (6) Å and a centroid-centroid distance of 3.67 (2) Å. One of the thio-cyanate S atoms is equally disordered over two positions.Entities:
Year: 2010 PMID: 21580489 PMCID: PMC2983974 DOI: 10.1107/S1600536810008135
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Cd2(NCS)4(C24H20N6)2] | |
| Monoclinic, | Mo |
| Hall symbol: -P 2yn | Cell parameters from 159 reflections |
| θ = 1.7–28.3° | |
| µ = 1.04 mm−1 | |
| β = 97.678 (1)° | Block, colorless |
| 0.33 × 0.31 × 0.28 mm | |
| Bruker APEX CCD area-detector diffractometer | 6112 independent reflections |
| Radiation source: fine-focus sealed tube | 2967 reflections with |
| graphite | |
| ω scans | θmax = 28.3°, θmin = 1.7° |
| Absorption correction: multi-scan ( | |
| 15880 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 | |
| 6112 reflections | (Δ/σ)max = 0.001 |
| 333 parameters | Δρmax = 0.70 e Å−3 |
| 0 restraints | Δρmin = −0.56 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) | |||||
| C1 | 0.6018 (4) | −0.05645 (17) | 0.3451 (4) | 0.0634 (11) | |
| H1 | 0.5438 | −0.0863 | 0.3463 | 0.076* | |
| C2 | 0.5726 (4) | −0.00252 (17) | 0.3591 (4) | 0.0625 (11) | |
| H2 | 0.4892 | 0.0111 | 0.3710 | 0.075* | |
| C3 | 0.7782 (4) | −0.00550 (15) | 0.3340 (3) | 0.0419 (9) | |
| C4 | 0.9121 (4) | 0.01421 (15) | 0.3240 (3) | 0.0474 (9) | |
| C5 | 1.0101 (4) | −0.01509 (18) | 0.2744 (5) | 0.0873 (15) | |
| H5 | 0.9918 | −0.0501 | 0.2396 | 0.105* | |
| C6 | 1.1351 (5) | 0.00779 (19) | 0.2766 (5) | 0.1046 (18) | |
| H6 | 1.2023 | −0.0121 | 0.2455 | 0.126* | |
| C7 | 1.1597 (4) | 0.05930 (18) | 0.3240 (4) | 0.0701 (12) | |
| H7 | 1.2445 | 0.0749 | 0.3296 | 0.084* | |
| C8 | 1.0561 (4) | 0.08777 (16) | 0.3635 (4) | 0.0607 (11) | |
| H8 | 1.0711 | 0.1242 | 0.3907 | 0.073* | |
| C9 | 0.8023 (3) | −0.11083 (13) | 0.3109 (3) | 0.0483 (10) | |
| H9A | 0.7642 | −0.1399 | 0.3577 | 0.058* | |
| H9B | 0.8952 | −0.1068 | 0.3462 | 0.058* | |
| C10 | 1.0699 (3) | 0.21467 (13) | 0.7506 (3) | 0.0465 (9) | |
| H10A | 1.0528 | 0.2507 | 0.7855 | 0.056* | |
| H10B | 1.1256 | 0.2202 | 0.6847 | 0.056* | |
| C11 | 0.8661 (4) | 0.15565 (15) | 0.7598 (4) | 0.0536 (10) | |
| H11 | 0.8791 | 0.1483 | 0.8457 | 0.064* | |
| C12 | 0.7688 (3) | 0.13491 (15) | 0.6753 (4) | 0.0550 (11) | |
| H12 | 0.7029 | 0.1104 | 0.6935 | 0.066* | |
| C13 | 0.8852 (3) | 0.18861 (14) | 0.5747 (3) | 0.0432 (9) | |
| C14 | 0.9230 (3) | 0.22131 (14) | 0.4689 (3) | 0.0440 (9) | |
| C15 | 0.9941 (3) | 0.27037 (15) | 0.4804 (4) | 0.0515 (10) | |
| H15 | 1.0227 | 0.2852 | 0.5594 | 0.062* | |
| C16 | 1.0223 (3) | 0.29724 (15) | 0.3729 (4) | 0.0575 (11) | |
| H16 | 1.0713 | 0.3300 | 0.3786 | 0.069* | |
| C17 | 0.9765 (4) | 0.27452 (17) | 0.2572 (4) | 0.0621 (11) | |
| H17 | 0.9960 | 0.2912 | 0.1836 | 0.075* | |
| C18 | 0.9010 (4) | 0.22634 (16) | 0.2524 (4) | 0.0558 (10) | |
| H18 | 0.8680 | 0.2118 | 0.1741 | 0.067* | |
| C19 | 1.1433 (3) | 0.17880 (14) | 0.8525 (3) | 0.0432 (9) | |
| C20 | 1.1505 (4) | 0.19548 (16) | 0.9760 (4) | 0.0568 (10) | |
| H20 | 1.1086 | 0.2283 | 0.9946 | 0.068* | |
| C21 | 1.2183 (4) | 0.16470 (18) | 1.0729 (4) | 0.0679 (12) | |
| H21 | 1.2223 | 0.1767 | 1.1558 | 0.082* | |
| C22 | 1.2797 (4) | 0.11638 (18) | 1.0455 (4) | 0.0704 (12) | |
| H22 | 1.3261 | 0.0955 | 1.1101 | 0.084* | |
| C23 | 1.2730 (4) | 0.09839 (15) | 0.9220 (4) | 0.0584 (11) | |
| H23 | 1.3150 | 0.0655 | 0.9040 | 0.070* | |
| C24 | 0.7961 (3) | −0.12925 (14) | 0.1749 (3) | 0.0418 (9) | |
| C25 | 0.6902 (5) | 0.09909 (19) | 0.0716 (4) | 0.0749 (14) | |
| C26 | 0.4193 (4) | 0.16946 (16) | 0.4024 (4) | 0.0528 (10) | |
| N1 | 0.9342 (3) | 0.06631 (12) | 0.3652 (3) | 0.0532 (8) | |
| N2 | 0.6815 (3) | 0.02887 (12) | 0.3535 (3) | 0.0487 (8) | |
| N3 | 0.7331 (3) | −0.05881 (12) | 0.3288 (2) | 0.0465 (8) | |
| N4 | 0.9427 (3) | 0.18963 (12) | 0.6960 (3) | 0.0438 (7) | |
| N5 | 0.7813 (3) | 0.15517 (12) | 0.5587 (3) | 0.0494 (8) | |
| N6 | 0.8737 (3) | 0.20017 (12) | 0.3549 (3) | 0.0505 (8) | |
| N7 | 0.6949 (4) | 0.12982 (16) | 0.1462 (4) | 0.0913 (13) | |
| N8 | 0.5058 (3) | 0.14232 (15) | 0.3802 (4) | 0.0835 (12) | |
| S1 | 0.7164 (4) | 0.05643 (17) | −0.0369 (4) | 0.1451 (15)* | 0.50 |
| S1' | 0.6395 (3) | 0.05156 (10) | −0.0503 (2) | 0.0658 (7)* | 0.50 |
| S2 | 0.29671 (10) | 0.20853 (4) | 0.43058 (10) | 0.0628 (3) | |
| Cd1 | 0.72240 (3) | 0.122387 (11) | 0.35612 (3) | 0.05177 (11) |
| C1 | 0.050 (3) | 0.059 (3) | 0.083 (3) | −0.011 (2) | 0.017 (2) | −0.001 (2) |
| C2 | 0.046 (3) | 0.055 (3) | 0.088 (3) | 0.007 (2) | 0.013 (2) | −0.010 (2) |
| C3 | 0.046 (2) | 0.036 (2) | 0.045 (2) | 0.0001 (18) | 0.0092 (18) | −0.0034 (17) |
| C4 | 0.057 (3) | 0.036 (2) | 0.050 (2) | 0.0035 (19) | 0.0096 (19) | −0.0005 (19) |
| C5 | 0.069 (3) | 0.053 (3) | 0.150 (4) | −0.010 (2) | 0.054 (3) | −0.029 (3) |
| C6 | 0.076 (4) | 0.058 (3) | 0.193 (6) | −0.009 (3) | 0.065 (4) | −0.036 (3) |
| C7 | 0.052 (3) | 0.058 (3) | 0.104 (3) | −0.002 (2) | 0.025 (2) | 0.003 (3) |
| C8 | 0.057 (3) | 0.043 (3) | 0.081 (3) | −0.006 (2) | 0.008 (2) | −0.005 (2) |
| C9 | 0.056 (2) | 0.035 (2) | 0.054 (2) | −0.0002 (17) | 0.0100 (19) | 0.0008 (18) |
| C10 | 0.048 (2) | 0.039 (2) | 0.051 (2) | −0.0066 (17) | 0.0033 (18) | −0.0084 (18) |
| C11 | 0.050 (2) | 0.057 (3) | 0.056 (3) | 0.000 (2) | 0.012 (2) | −0.003 (2) |
| C12 | 0.044 (2) | 0.054 (3) | 0.070 (3) | −0.0087 (19) | 0.017 (2) | −0.007 (2) |
| C13 | 0.047 (2) | 0.033 (2) | 0.049 (2) | 0.0052 (17) | 0.0024 (19) | −0.0047 (18) |
| C14 | 0.040 (2) | 0.034 (2) | 0.056 (3) | 0.0045 (16) | 0.0004 (18) | −0.0026 (19) |
| C15 | 0.050 (2) | 0.040 (2) | 0.062 (3) | −0.0024 (18) | −0.006 (2) | −0.002 (2) |
| C16 | 0.054 (3) | 0.042 (3) | 0.074 (3) | −0.0046 (18) | −0.003 (2) | 0.007 (2) |
| C17 | 0.067 (3) | 0.058 (3) | 0.061 (3) | 0.006 (2) | 0.006 (2) | 0.012 (2) |
| C18 | 0.060 (3) | 0.047 (3) | 0.058 (3) | 0.004 (2) | 0.000 (2) | −0.001 (2) |
| C19 | 0.045 (2) | 0.040 (2) | 0.044 (2) | −0.0025 (17) | 0.0036 (17) | −0.0057 (19) |
| C20 | 0.057 (3) | 0.052 (3) | 0.060 (3) | −0.002 (2) | 0.004 (2) | −0.012 (2) |
| C21 | 0.079 (3) | 0.080 (4) | 0.046 (3) | −0.005 (3) | 0.010 (2) | −0.004 (2) |
| C22 | 0.076 (3) | 0.080 (4) | 0.052 (3) | 0.004 (3) | −0.001 (2) | 0.011 (3) |
| C23 | 0.068 (3) | 0.046 (2) | 0.061 (3) | 0.003 (2) | 0.009 (2) | 0.012 (2) |
| C24 | 0.044 (2) | 0.036 (2) | 0.046 (2) | −0.0075 (17) | 0.0049 (17) | 0.0002 (18) |
| C25 | 0.110 (4) | 0.062 (3) | 0.055 (3) | 0.020 (3) | 0.020 (3) | 0.014 (2) |
| C26 | 0.047 (3) | 0.044 (3) | 0.063 (3) | −0.0120 (19) | −0.012 (2) | 0.005 (2) |
| N1 | 0.052 (2) | 0.040 (2) | 0.068 (2) | −0.0014 (15) | 0.0071 (16) | −0.0059 (16) |
| N2 | 0.0443 (19) | 0.0429 (19) | 0.059 (2) | −0.0029 (15) | 0.0063 (16) | −0.0059 (16) |
| N3 | 0.049 (2) | 0.0359 (19) | 0.057 (2) | 0.0000 (15) | 0.0143 (16) | −0.0063 (15) |
| N4 | 0.0421 (18) | 0.0418 (19) | 0.0469 (19) | −0.0036 (14) | 0.0034 (15) | −0.0023 (15) |
| N5 | 0.0431 (19) | 0.043 (2) | 0.061 (2) | −0.0036 (15) | 0.0018 (16) | −0.0008 (16) |
| N6 | 0.054 (2) | 0.0395 (19) | 0.057 (2) | 0.0040 (15) | 0.0019 (17) | −0.0005 (17) |
| N7 | 0.119 (3) | 0.083 (3) | 0.066 (3) | −0.013 (3) | −0.008 (2) | −0.004 (2) |
| N8 | 0.051 (2) | 0.071 (3) | 0.125 (3) | 0.0068 (19) | −0.003 (2) | −0.018 (2) |
| S2 | 0.0602 (7) | 0.0624 (8) | 0.0662 (7) | 0.0067 (5) | 0.0099 (6) | −0.0016 (6) |
| Cd1 | 0.04836 (17) | 0.03862 (17) | 0.06495 (19) | 0.00251 (14) | −0.00488 (12) | −0.00671 (16) |
| C1—C2 | 1.344 (5) | C14—N6 | 1.357 (4) |
| C1—N3 | 1.364 (4) | C14—C15 | 1.379 (4) |
| C1—H1 | 0.9300 | C15—C16 | 1.385 (5) |
| C2—N2 | 1.343 (4) | C15—H15 | 0.9300 |
| C2—H2 | 0.9300 | C16—C17 | 1.378 (5) |
| C3—N2 | 1.319 (4) | C16—H16 | 0.9300 |
| C3—N3 | 1.361 (4) | C17—C18 | 1.386 (5) |
| C3—C4 | 1.453 (5) | C17—H17 | 0.9300 |
| C4—N1 | 1.339 (4) | C18—N6 | 1.327 (4) |
| C4—C5 | 1.380 (5) | C18—H18 | 0.9300 |
| C5—C6 | 1.376 (5) | C19—C20 | 1.376 (4) |
| C5—H5 | 0.9300 | C19—C24i | 1.390 (4) |
| C6—C7 | 1.351 (5) | C20—C21 | 1.382 (5) |
| C6—H6 | 0.9300 | C20—H20 | 0.9300 |
| C7—C8 | 1.366 (5) | C21—C22 | 1.369 (5) |
| C7—H7 | 0.9300 | C21—H21 | 0.9300 |
| C8—N1 | 1.340 (4) | C22—C23 | 1.387 (5) |
| C8—H8 | 0.9300 | C22—H22 | 0.9300 |
| C9—N3 | 1.460 (4) | C23—C24i | 1.388 (5) |
| C9—C24 | 1.517 (4) | C23—H23 | 0.9300 |
| C9—H9A | 0.9700 | C24—C23i | 1.388 (5) |
| C9—H9B | 0.9700 | C24—C19i | 1.390 (4) |
| C10—N4 | 1.470 (4) | C25—N7 | 1.087 (5) |
| C10—C19 | 1.508 (4) | C25—S1 | 1.600 (6) |
| C10—H10A | 0.9700 | C25—S1' | 1.761 (6) |
| C10—H10B | 0.9700 | C26—N8 | 1.143 (4) |
| C11—C12 | 1.342 (4) | C26—S2 | 1.617 (4) |
| C11—N4 | 1.372 (4) | N1—Cd1 | 2.523 (3) |
| C11—H11 | 0.9300 | N2—Cd1 | 2.289 (3) |
| C12—N5 | 1.363 (4) | N5—Cd1 | 2.313 (3) |
| C12—H12 | 0.9300 | N6—Cd1 | 2.420 (3) |
| C13—N5 | 1.317 (4) | N7—Cd1 | 2.238 (4) |
| C13—N4 | 1.352 (4) | N8—Cd1 | 2.291 (4) |
| C13—C14 | 1.473 (5) | ||
| C2—C1—N3 | 106.7 (3) | C17—C18—H18 | 118.6 |
| C2—C1—H1 | 126.7 | C20—C19—C24i | 119.1 (3) |
| N3—C1—H1 | 126.7 | C20—C19—C10 | 119.2 (3) |
| N2—C2—C1 | 110.2 (3) | C24i—C19—C10 | 121.8 (3) |
| N2—C2—H2 | 124.9 | C19—C20—C21 | 121.6 (4) |
| C1—C2—H2 | 124.9 | C19—C20—H20 | 119.2 |
| N2—C3—N3 | 110.3 (3) | C21—C20—H20 | 119.2 |
| N2—C3—C4 | 121.7 (3) | C22—C21—C20 | 119.2 (4) |
| N3—C3—C4 | 128.0 (3) | C22—C21—H21 | 120.4 |
| N1—C4—C5 | 120.7 (4) | C20—C21—H21 | 120.4 |
| N1—C4—C3 | 113.4 (3) | C21—C22—C23 | 120.3 (4) |
| C5—C4—C3 | 125.9 (4) | C21—C22—H22 | 119.9 |
| C6—C5—C4 | 119.6 (4) | C23—C22—H22 | 119.9 |
| C6—C5—H5 | 120.2 | C22—C23—C24i | 120.2 (4) |
| C4—C5—H5 | 120.2 | C22—C23—H23 | 119.9 |
| C7—C6—C5 | 119.8 (4) | C24i—C23—H23 | 119.9 |
| C7—C6—H6 | 120.1 | C23i—C24—C19i | 119.6 (3) |
| C5—C6—H6 | 120.1 | C23i—C24—C9 | 121.0 (3) |
| C6—C7—C8 | 117.8 (4) | C19i—C24—C9 | 119.4 (3) |
| C6—C7—H7 | 121.1 | N7—C25—S1 | 167.8 (6) |
| C8—C7—H7 | 121.1 | N7—C25—S1' | 165.7 (5) |
| N1—C8—C7 | 123.8 (4) | S1—C25—S1' | 26.29 (17) |
| N1—C8—H8 | 118.1 | N8—C26—S2 | 178.6 (4) |
| C7—C8—H8 | 118.1 | C4—N1—C8 | 118.0 (3) |
| N3—C9—C24 | 114.7 (3) | C4—N1—Cd1 | 112.7 (2) |
| N3—C9—H9A | 108.6 | C8—N1—Cd1 | 124.9 (2) |
| C24—C9—H9A | 108.6 | C3—N2—C2 | 106.5 (3) |
| N3—C9—H9B | 108.6 | C3—N2—Cd1 | 118.8 (2) |
| C24—C9—H9B | 108.6 | C2—N2—Cd1 | 134.5 (3) |
| H9A—C9—H9B | 107.6 | C3—N3—C1 | 106.4 (3) |
| N4—C10—C19 | 112.0 (3) | C3—N3—C9 | 130.5 (3) |
| N4—C10—H10A | 109.2 | C1—N3—C9 | 123.0 (3) |
| C19—C10—H10A | 109.2 | C13—N4—C11 | 105.6 (3) |
| N4—C10—H10B | 109.2 | C13—N4—C10 | 129.2 (3) |
| C19—C10—H10B | 109.2 | C11—N4—C10 | 124.7 (3) |
| H10A—C10—H10B | 107.9 | C13—N5—C12 | 105.7 (3) |
| C12—C11—N4 | 107.3 (3) | C13—N5—Cd1 | 115.6 (2) |
| C12—C11—H11 | 126.3 | C12—N5—Cd1 | 134.0 (2) |
| N4—C11—H11 | 126.3 | C18—N6—C14 | 118.5 (3) |
| C11—C12—N5 | 109.7 (3) | C18—N6—Cd1 | 125.0 (3) |
| C11—C12—H12 | 125.2 | C14—N6—Cd1 | 116.2 (2) |
| N5—C12—H12 | 125.2 | C25—N7—Cd1 | 132.4 (4) |
| N5—C13—N4 | 111.7 (3) | C26—N8—Cd1 | 156.1 (3) |
| N5—C13—C14 | 120.8 (3) | N7—Cd1—N2 | 93.92 (12) |
| N4—C13—C14 | 127.4 (3) | N7—Cd1—N8 | 95.98 (15) |
| N6—C14—C15 | 121.7 (3) | N2—Cd1—N8 | 91.91 (12) |
| N6—C14—C13 | 113.0 (3) | N7—Cd1—N5 | 154.04 (13) |
| C15—C14—C13 | 125.1 (3) | N2—Cd1—N5 | 111.75 (10) |
| C14—C15—C16 | 119.3 (3) | N8—Cd1—N5 | 87.30 (12) |
| C14—C15—H15 | 120.4 | N7—Cd1—N6 | 85.78 (13) |
| C16—C15—H15 | 120.4 | N2—Cd1—N6 | 151.01 (10) |
| C17—C16—C15 | 118.8 (4) | N8—Cd1—N6 | 116.98 (11) |
| C17—C16—H16 | 120.6 | N5—Cd1—N6 | 69.97 (10) |
| C15—C16—H16 | 120.6 | N7—Cd1—N1 | 94.16 (13) |
| C16—C17—C18 | 118.9 (4) | N2—Cd1—N1 | 68.00 (10) |
| C16—C17—H17 | 120.5 | N8—Cd1—N1 | 158.07 (12) |
| C18—C17—H17 | 120.5 | N5—Cd1—N1 | 92.03 (10) |
| N6—C18—C17 | 122.7 (4) | N6—Cd1—N1 | 83.09 (10) |
| N6—C18—H18 | 118.6 | ||
| N3—C1—C2—N2 | −0.7 (5) | C11—C12—N5—C13 | −0.9 (4) |
| N2—C3—C4—N1 | 14.9 (5) | C11—C12—N5—Cd1 | 152.6 (3) |
| N3—C3—C4—N1 | −163.3 (3) | C17—C18—N6—C14 | −0.6 (5) |
| N2—C3—C4—C5 | −163.2 (4) | C17—C18—N6—Cd1 | 172.5 (3) |
| N3—C3—C4—C5 | 18.5 (6) | C15—C14—N6—C18 | 3.4 (5) |
| N1—C4—C5—C6 | 5.2 (7) | C13—C14—N6—C18 | 179.7 (3) |
| C3—C4—C5—C6 | −176.8 (4) | C15—C14—N6—Cd1 | −170.3 (2) |
| C4—C5—C6—C7 | −1.8 (8) | C13—C14—N6—Cd1 | 6.0 (4) |
| C5—C6—C7—C8 | −2.8 (8) | S1—C25—N7—Cd1 | −94 (2) |
| C6—C7—C8—N1 | 4.4 (7) | S1'—C25—N7—Cd1 | 98.3 (18) |
| N4—C11—C12—N5 | −0.3 (4) | S2—C26—N8—Cd1 | 77 (17) |
| N5—C13—C14—N6 | −21.0 (5) | C25—N7—Cd1—N2 | −14.0 (6) |
| N4—C13—C14—N6 | 162.0 (3) | C25—N7—Cd1—N8 | −106.4 (6) |
| N5—C13—C14—C15 | 155.2 (3) | C25—N7—Cd1—N5 | 157.5 (5) |
| N4—C13—C14—C15 | −21.8 (5) | C25—N7—Cd1—N6 | 136.9 (6) |
| N6—C14—C15—C16 | −3.6 (5) | C25—N7—Cd1—N1 | 54.1 (6) |
| C13—C14—C15—C16 | −179.5 (3) | C3—N2—Cd1—N7 | 80.3 (3) |
| C14—C15—C16—C17 | 1.0 (5) | C2—N2—Cd1—N7 | −94.0 (4) |
| C15—C16—C17—C18 | 1.6 (6) | C3—N2—Cd1—N8 | 176.4 (3) |
| C16—C17—C18—N6 | −1.9 (6) | C2—N2—Cd1—N8 | 2.1 (4) |
| N4—C10—C19—C20 | −108.1 (3) | C3—N2—Cd1—N5 | −95.7 (3) |
| N4—C10—C19—C24i | 71.8 (4) | C2—N2—Cd1—N5 | 90.0 (3) |
| C24i—C19—C20—C21 | 1.2 (5) | C3—N2—Cd1—N6 | −8.1 (4) |
| C10—C19—C20—C21 | −178.9 (3) | C2—N2—Cd1—N6 | 177.6 (3) |
| C19—C20—C21—C22 | −0.2 (6) | C3—N2—Cd1—N1 | −12.6 (2) |
| C20—C21—C22—C23 | −0.4 (6) | C2—N2—Cd1—N1 | 173.1 (4) |
| C21—C22—C23—C24i | −0.1 (6) | C26—N8—Cd1—N7 | −100.4 (9) |
| N3—C9—C24—C23i | −1.1 (5) | C26—N8—Cd1—N2 | 165.5 (9) |
| N3—C9—C24—C19i | −178.8 (3) | C26—N8—Cd1—N5 | 53.8 (9) |
| C5—C4—N1—C8 | −3.8 (5) | C26—N8—Cd1—N6 | −12.1 (10) |
| C3—C4—N1—C8 | 178.0 (3) | C26—N8—Cd1—N1 | 142.5 (8) |
| C5—C4—N1—Cd1 | 153.8 (3) | C13—N5—Cd1—N7 | −36.8 (4) |
| C3—C4—N1—Cd1 | −24.4 (4) | C12—N5—Cd1—N7 | 171.7 (3) |
| C7—C8—N1—C4 | −1.1 (6) | C13—N5—Cd1—N2 | 134.1 (2) |
| C7—C8—N1—Cd1 | −155.7 (3) | C12—N5—Cd1—N2 | −17.4 (3) |
| N3—C3—N2—C2 | −0.9 (4) | C13—N5—Cd1—N8 | −134.9 (3) |
| C4—C3—N2—C2 | −179.4 (3) | C12—N5—Cd1—N8 | 73.6 (3) |
| N3—C3—N2—Cd1 | −176.6 (2) | C13—N5—Cd1—N6 | −14.9 (2) |
| C4—C3—N2—Cd1 | 4.9 (4) | C12—N5—Cd1—N6 | −166.4 (3) |
| C1—C2—N2—C3 | 0.9 (5) | C13—N5—Cd1—N1 | 67.0 (2) |
| C1—C2—N2—Cd1 | 175.7 (3) | C12—N5—Cd1—N1 | −84.5 (3) |
| N2—C3—N3—C1 | 0.5 (4) | C18—N6—Cd1—N7 | 1.3 (3) |
| C4—C3—N3—C1 | 178.9 (3) | C14—N6—Cd1—N7 | 174.6 (3) |
| N2—C3—N3—C9 | −179.1 (3) | C18—N6—Cd1—N2 | 91.8 (3) |
| C4—C3—N3—C9 | −0.7 (6) | C14—N6—Cd1—N2 | −95.0 (3) |
| C2—C1—N3—C3 | 0.1 (4) | C18—N6—Cd1—N8 | −93.2 (3) |
| C2—C1—N3—C9 | 179.7 (3) | C14—N6—Cd1—N8 | 80.0 (3) |
| C24—C9—N3—C3 | −91.2 (4) | C18—N6—Cd1—N5 | −169.2 (3) |
| C24—C9—N3—C1 | 89.4 (4) | C14—N6—Cd1—N5 | 4.0 (2) |
| N5—C13—N4—C11 | −2.0 (4) | C18—N6—Cd1—N1 | 96.1 (3) |
| C14—C13—N4—C11 | 175.2 (3) | C14—N6—Cd1—N1 | −90.7 (2) |
| N5—C13—N4—C10 | 170.4 (3) | C4—N1—Cd1—N7 | −72.4 (3) |
| C14—C13—N4—C10 | −12.5 (6) | C8—N1—Cd1—N7 | 83.3 (3) |
| C12—C11—N4—C13 | 1.3 (4) | C4—N1—Cd1—N2 | 20.1 (2) |
| C12—C11—N4—C10 | −171.4 (3) | C8—N1—Cd1—N2 | 175.9 (3) |
| C19—C10—N4—C13 | −140.8 (3) | C4—N1—Cd1—N8 | 45.0 (4) |
| C19—C10—N4—C11 | 30.2 (5) | C8—N1—Cd1—N8 | −159.3 (3) |
| N4—C13—N5—C12 | 1.8 (4) | C4—N1—Cd1—N5 | 132.8 (2) |
| C14—C13—N5—C12 | −175.6 (3) | C8—N1—Cd1—N5 | −71.4 (3) |
| N4—C13—N5—Cd1 | −157.4 (2) | C4—N1—Cd1—N6 | −157.6 (3) |
| C14—C13—N5—Cd1 | 25.2 (4) | C8—N1—Cd1—N6 | −1.9 (3) |
Selected bond lengths (Å)
| N1—Cd1 | 2.523 (3) |
| N2—Cd1 | 2.289 (3) |
| N5—Cd1 | 2.313 (3) |
| N6—Cd1 | 2.420 (3) |
| N7—Cd1 | 2.238 (4) |
| N8—Cd1 | 2.291 (4) |