| Literature DB >> 21522303 |
Nur Amirah Jamaluddin, Ibrahim Baba, Mohamed Ibrahim Mohamed Tahir, Edward R T Tiekink.
Abstract
The Cd(II) atom in the title compound, [Cd(C(6)H(12)NS(2))(2)(C(10)H(8)N(2))], is hexa-coordinated by two dithio-carbamate ligands and the N atoms from a bidentate 2,2'-bipyridyl mol-ecule. The coordination geometry is based on a distorted trigonal-prismatic arrangement of the N(2)S(4) donor set. Supra-molecular chains, aligned along the a-axis direction, are mediated by C-H⋯S inter-actions and these are connected into layers that stack along the c axis via π-π inter-actions [Cg(pyrid-yl)⋯Cg(pyrid-yl) = 3.6587 (13) Å].Entities:
Year: 2011 PMID: 21522303 PMCID: PMC3052129 DOI: 10.1107/S1600536811006878
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Cd(C6H12NS2)2(C10H8N2)] | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 8976 reflections | |
| θ = 2.0–29.0° | |
| µ = 1.18 mm−1 | |
| α = 81.566 (3)° | |
| β = 74.790 (3)° | Plate, colourless |
| γ = 83.641 (3)° | 0.27 × 0.16 × 0.01 mm |
| Oxford Diffraction Xcaliber Eos Gemini diffractometer | 5393 independent reflections |
| Radiation source: fine-focus sealed tube | 4623 reflections with |
| graphite | |
| Detector resolution: 16.1952 pixels mm-1 | θmax = 26.5°, θmin = 2.3° |
| ω scans | |
| Absorption correction: multi-scan ( | |
| 15837 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 | |
| 5393 reflections | (Δ/σ)max = 0.001 |
| 284 parameters | Δρmax = 0.90 e Å−3 |
| 0 restraints | Δρmin = −0.51 e Å−3 |
| Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes. |
| Refinement. Refinement of |
| Cd | 0.669262 (17) | 0.668974 (17) | 0.664886 (14) | 0.02060 (7) | |
| S1 | 0.60096 (7) | 0.69901 (6) | 0.47470 (5) | 0.02501 (15) | |
| S2 | 0.73388 (7) | 0.90040 (6) | 0.53865 (5) | 0.02474 (15) | |
| S3 | 0.47202 (7) | 0.54259 (7) | 0.80306 (6) | 0.02816 (16) | |
| S4 | 0.56208 (7) | 0.77897 (6) | 0.85175 (5) | 0.02633 (15) | |
| N1 | 0.6294 (2) | 0.93184 (19) | 0.36194 (16) | 0.0217 (5) | |
| N2 | 0.3637 (2) | 0.6493 (2) | 0.98885 (17) | 0.0274 (5) | |
| N3 | 0.8838 (2) | 0.62383 (19) | 0.70520 (15) | 0.0188 (4) | |
| N4 | 0.7756 (2) | 0.46118 (19) | 0.61699 (16) | 0.0220 (5) | |
| C1 | 0.6525 (2) | 0.8525 (2) | 0.44916 (19) | 0.0208 (5) | |
| C2 | 0.6688 (3) | 1.0633 (2) | 0.3422 (2) | 0.0274 (6) | |
| H2A | 0.6156 | 1.1102 | 0.4032 | 0.041* | |
| H2B | 0.6525 | 1.1048 | 0.2708 | 0.041* | |
| H2C | 0.7647 | 1.0626 | 0.3393 | 0.041* | |
| C3 | 0.5565 (3) | 0.9003 (2) | 0.2837 (2) | 0.0261 (6) | |
| H3A | 0.4858 | 0.9693 | 0.2754 | 0.031* | |
| H3B | 0.5114 | 0.8209 | 0.3156 | 0.031* | |
| C4 | 0.6490 (3) | 0.8829 (3) | 0.1684 (2) | 0.0286 (6) | |
| H4A | 0.5930 | 0.8765 | 0.1162 | 0.034* | |
| H4B | 0.7002 | 0.9593 | 0.1401 | 0.034* | |
| C5 | 0.7477 (3) | 0.7662 (3) | 0.1679 (2) | 0.0300 (6) | |
| H5A | 0.6968 | 0.6893 | 0.1940 | 0.036* | |
| H5B | 0.8026 | 0.7713 | 0.2212 | 0.036* | |
| C6 | 0.8409 (3) | 0.7531 (3) | 0.0524 (2) | 0.0453 (8) | |
| H6A | 0.7872 | 0.7466 | −0.0006 | 0.068* | |
| H6B | 0.9021 | 0.6764 | 0.0565 | 0.068* | |
| H6C | 0.8933 | 0.8280 | 0.0269 | 0.068* | |
| C7 | 0.4562 (2) | 0.6567 (2) | 0.8919 (2) | 0.0232 (6) | |
| C8 | 0.2758 (3) | 0.5432 (3) | 1.0244 (2) | 0.0350 (7) | |
| H8A | 0.2020 | 0.5592 | 0.9870 | 0.053* | |
| H8B | 0.2387 | 0.5358 | 1.1058 | 0.053* | |
| H8C | 0.3281 | 0.4638 | 1.0041 | 0.053* | |
| C9 | 0.3423 (3) | 0.7429 (3) | 1.0687 (2) | 0.0329 (7) | |
| H9A | 0.4118 | 0.8051 | 1.0410 | 0.039* | |
| H9B | 0.3536 | 0.6986 | 1.1417 | 0.039* | |
| C11 | 0.2043 (3) | 0.8137 (3) | 1.0860 (2) | 0.0350 (7) | |
| H11A | 0.1347 | 0.7521 | 1.1166 | 0.042* | |
| H11B | 0.1916 | 0.8560 | 1.0128 | 0.042* | |
| C12 | 0.1862 (3) | 0.9133 (3) | 1.1660 (2) | 0.0400 (7) | |
| H12A | 0.2177 | 0.8748 | 1.2328 | 0.048* | |
| H12B | 0.2427 | 0.9843 | 1.1285 | 0.048* | |
| C13 | 0.0408 (3) | 0.9657 (3) | 1.2032 (3) | 0.0484 (9) | |
| H13A | 0.0119 | 1.0120 | 1.1383 | 0.073* | |
| H13B | 0.0329 | 1.0237 | 1.2592 | 0.073* | |
| H13C | −0.0165 | 0.8953 | 1.2361 | 0.073* | |
| C14 | 0.9307 (3) | 0.7054 (2) | 0.7554 (2) | 0.0249 (6) | |
| H14 | 0.8736 | 0.7775 | 0.7797 | 0.030* | |
| C15 | 1.0578 (3) | 0.6896 (3) | 0.7734 (2) | 0.0299 (6) | |
| H15 | 1.0872 | 0.7486 | 0.8106 | 0.036* | |
| C16 | 1.1413 (3) | 0.5869 (3) | 0.7364 (2) | 0.0327 (7) | |
| H16 | 1.2303 | 0.5749 | 0.7459 | 0.039* | |
| C17 | 1.0942 (3) | 0.5005 (2) | 0.6848 (2) | 0.0257 (6) | |
| H17 | 1.1504 | 0.4285 | 0.6590 | 0.031* | |
| C18 | 0.9638 (2) | 0.5211 (2) | 0.67166 (18) | 0.0185 (5) | |
| C19 | 0.9038 (2) | 0.4298 (2) | 0.62209 (19) | 0.0190 (5) | |
| C20 | 0.9733 (3) | 0.3185 (2) | 0.5849 (2) | 0.0243 (6) | |
| H20 | 1.0649 | 0.2995 | 0.5867 | 0.029* | |
| C21 | 0.9076 (3) | 0.2359 (2) | 0.5453 (2) | 0.0299 (6) | |
| H21 | 0.9535 | 0.1592 | 0.5200 | 0.036* | |
| C22 | 0.7746 (3) | 0.2662 (3) | 0.5428 (2) | 0.0304 (6) | |
| H22 | 0.7265 | 0.2101 | 0.5177 | 0.037* | |
| C23 | 0.7136 (3) | 0.3805 (3) | 0.5781 (2) | 0.0287 (6) | |
| H23 | 0.6231 | 0.4030 | 0.5744 | 0.034* |
| Cd | 0.01478 (10) | 0.02502 (11) | 0.02106 (10) | 0.00349 (7) | −0.00428 (8) | −0.00391 (7) |
| S1 | 0.0271 (4) | 0.0231 (3) | 0.0261 (3) | −0.0007 (3) | −0.0104 (3) | −0.0012 (3) |
| S2 | 0.0229 (3) | 0.0269 (4) | 0.0250 (3) | 0.0008 (3) | −0.0077 (3) | −0.0042 (3) |
| S3 | 0.0179 (3) | 0.0379 (4) | 0.0285 (4) | −0.0019 (3) | −0.0040 (3) | −0.0068 (3) |
| S4 | 0.0222 (3) | 0.0264 (4) | 0.0254 (3) | 0.0025 (3) | 0.0001 (3) | −0.0016 (3) |
| N1 | 0.0219 (12) | 0.0217 (11) | 0.0210 (11) | 0.0041 (9) | −0.0064 (9) | −0.0031 (9) |
| N2 | 0.0221 (12) | 0.0335 (13) | 0.0215 (11) | −0.0001 (10) | −0.0003 (10) | 0.0018 (9) |
| N3 | 0.0158 (11) | 0.0228 (11) | 0.0161 (10) | −0.0001 (9) | −0.0010 (9) | −0.0037 (8) |
| N4 | 0.0172 (11) | 0.0250 (12) | 0.0240 (11) | −0.0005 (9) | −0.0045 (9) | −0.0050 (9) |
| C1 | 0.0137 (12) | 0.0230 (13) | 0.0221 (13) | 0.0065 (10) | 0.0000 (10) | −0.0050 (10) |
| C2 | 0.0314 (15) | 0.0216 (14) | 0.0284 (14) | 0.0027 (11) | −0.0085 (12) | −0.0022 (11) |
| C3 | 0.0248 (14) | 0.0284 (15) | 0.0270 (14) | 0.0011 (12) | −0.0123 (12) | −0.0009 (11) |
| C4 | 0.0344 (16) | 0.0305 (15) | 0.0232 (13) | −0.0031 (12) | −0.0128 (13) | 0.0002 (11) |
| C5 | 0.0317 (16) | 0.0310 (15) | 0.0271 (14) | −0.0011 (12) | −0.0055 (13) | −0.0069 (12) |
| C6 | 0.048 (2) | 0.054 (2) | 0.0311 (16) | 0.0015 (16) | −0.0035 (15) | −0.0122 (14) |
| C7 | 0.0152 (13) | 0.0302 (14) | 0.0215 (13) | 0.0075 (11) | −0.0060 (11) | 0.0014 (11) |
| C8 | 0.0290 (16) | 0.0405 (17) | 0.0288 (15) | −0.0032 (13) | −0.0003 (13) | 0.0053 (12) |
| C9 | 0.0273 (15) | 0.0460 (18) | 0.0215 (13) | 0.0018 (13) | −0.0010 (12) | −0.0041 (12) |
| C11 | 0.0304 (16) | 0.0350 (16) | 0.0338 (16) | 0.0017 (13) | −0.0018 (13) | −0.0003 (13) |
| C12 | 0.0358 (18) | 0.0343 (17) | 0.0392 (17) | −0.0016 (14) | 0.0066 (15) | −0.0009 (13) |
| C13 | 0.0395 (19) | 0.0323 (18) | 0.061 (2) | 0.0016 (15) | 0.0080 (17) | −0.0069 (15) |
| C14 | 0.0211 (14) | 0.0278 (14) | 0.0253 (13) | 0.0004 (11) | −0.0039 (11) | −0.0073 (11) |
| C15 | 0.0240 (15) | 0.0383 (17) | 0.0312 (15) | −0.0058 (13) | −0.0098 (13) | −0.0086 (12) |
| C16 | 0.0184 (14) | 0.0440 (18) | 0.0383 (16) | −0.0010 (13) | −0.0133 (13) | −0.0032 (13) |
| C17 | 0.0200 (14) | 0.0277 (14) | 0.0282 (14) | 0.0059 (11) | −0.0071 (12) | −0.0036 (11) |
| C18 | 0.0153 (12) | 0.0236 (13) | 0.0136 (11) | −0.0004 (10) | −0.0012 (10) | 0.0022 (10) |
| C19 | 0.0173 (13) | 0.0191 (13) | 0.0172 (12) | 0.0008 (10) | −0.0007 (10) | 0.0005 (9) |
| C20 | 0.0189 (13) | 0.0248 (14) | 0.0242 (13) | 0.0002 (11) | 0.0009 (11) | 0.0003 (11) |
| C21 | 0.0354 (16) | 0.0219 (14) | 0.0283 (14) | −0.0002 (12) | −0.0004 (13) | −0.0054 (11) |
| C22 | 0.0337 (16) | 0.0295 (15) | 0.0290 (14) | −0.0090 (13) | −0.0048 (13) | −0.0064 (12) |
| C23 | 0.0217 (14) | 0.0325 (16) | 0.0325 (15) | −0.0020 (12) | −0.0057 (12) | −0.0075 (12) |
| Cd—S1 | 2.6104 (7) | C6—H6C | 0.9800 |
| Cd—S2 | 2.7685 (7) | C8—H8A | 0.9800 |
| Cd—S3 | 2.6468 (7) | C8—H8B | 0.9800 |
| Cd—S4 | 2.6783 (7) | C8—H8C | 0.9800 |
| Cd—N3 | 2.379 (2) | C9—C11 | 1.514 (4) |
| Cd—N4 | 2.441 (2) | C9—H9A | 0.9900 |
| S1—C1 | 1.733 (3) | C9—H9B | 0.9900 |
| S2—C1 | 1.721 (2) | C11—C12 | 1.522 (4) |
| S3—C7 | 1.727 (3) | C11—H11A | 0.9900 |
| S4—C7 | 1.725 (3) | C11—H11B | 0.9900 |
| N1—C1 | 1.332 (3) | C12—C13 | 1.518 (4) |
| N1—C2 | 1.469 (3) | C12—H12A | 0.9900 |
| N1—C3 | 1.471 (3) | C12—H12B | 0.9900 |
| N2—C7 | 1.327 (3) | C13—H13A | 0.9800 |
| N2—C9 | 1.469 (3) | C13—H13B | 0.9800 |
| N2—C8 | 1.472 (3) | C13—H13C | 0.9800 |
| N3—C14 | 1.338 (3) | C14—C15 | 1.377 (4) |
| N3—C18 | 1.344 (3) | C14—H14 | 0.9500 |
| N4—C23 | 1.337 (3) | C15—C16 | 1.372 (4) |
| N4—C19 | 1.344 (3) | C15—H15 | 0.9500 |
| C2—H2A | 0.9800 | C16—C17 | 1.389 (4) |
| C2—H2B | 0.9800 | C16—H16 | 0.9500 |
| C2—H2C | 0.9800 | C17—C18 | 1.388 (3) |
| C3—C4 | 1.526 (3) | C17—H17 | 0.9500 |
| C3—H3A | 0.9900 | C18—C19 | 1.489 (3) |
| C3—H3B | 0.9900 | C19—C20 | 1.390 (3) |
| C4—C5 | 1.516 (4) | C20—C21 | 1.382 (4) |
| C4—H4A | 0.9900 | C20—H20 | 0.9500 |
| C4—H4B | 0.9900 | C21—C22 | 1.383 (4) |
| C5—C6 | 1.522 (4) | C21—H21 | 0.9500 |
| C5—H5A | 0.9900 | C22—C23 | 1.383 (4) |
| C5—H5B | 0.9900 | C22—H22 | 0.9500 |
| C6—H6A | 0.9800 | C23—H23 | 0.9500 |
| C6—H6B | 0.9800 | ||
| N3—Cd—N4 | 67.00 (7) | N2—C7—S4 | 121.3 (2) |
| N3—Cd—S1 | 130.89 (5) | N2—C7—S3 | 119.9 (2) |
| N4—Cd—S1 | 87.19 (5) | S4—C7—S3 | 118.79 (14) |
| N3—Cd—S3 | 115.46 (5) | N2—C8—H8A | 109.5 |
| N4—Cd—S3 | 86.24 (5) | N2—C8—H8B | 109.5 |
| S1—Cd—S3 | 102.91 (2) | H8A—C8—H8B | 109.5 |
| N3—Cd—S4 | 93.32 (5) | N2—C8—H8C | 109.5 |
| N4—Cd—S4 | 137.16 (5) | H8A—C8—H8C | 109.5 |
| S1—Cd—S4 | 130.38 (2) | H8B—C8—H8C | 109.5 |
| S3—Cd—S4 | 67.82 (2) | N2—C9—C11 | 112.8 (2) |
| N3—Cd—S2 | 94.02 (5) | N2—C9—H9A | 109.0 |
| N4—Cd—S2 | 125.32 (5) | C11—C9—H9A | 109.0 |
| S1—Cd—S2 | 67.03 (2) | N2—C9—H9B | 109.0 |
| S3—Cd—S2 | 144.43 (2) | C11—C9—H9B | 109.0 |
| S4—Cd—S2 | 92.26 (2) | H9A—C9—H9B | 107.8 |
| C1—S1—Cd | 89.21 (8) | C9—C11—C12 | 111.9 (3) |
| C1—S2—Cd | 84.39 (8) | C9—C11—H11A | 109.2 |
| C7—S3—Cd | 87.18 (9) | C12—C11—H11A | 109.2 |
| C7—S4—Cd | 86.21 (9) | C9—C11—H11B | 109.2 |
| C1—N1—C2 | 120.7 (2) | C12—C11—H11B | 109.2 |
| C1—N1—C3 | 124.2 (2) | H11A—C11—H11B | 107.9 |
| C2—N1—C3 | 114.95 (19) | C13—C12—C11 | 112.5 (3) |
| C7—N2—C9 | 123.5 (2) | C13—C12—H12A | 109.1 |
| C7—N2—C8 | 121.3 (2) | C11—C12—H12A | 109.1 |
| C9—N2—C8 | 115.2 (2) | C13—C12—H12B | 109.1 |
| C14—N3—C18 | 118.6 (2) | C11—C12—H12B | 109.1 |
| C14—N3—Cd | 120.22 (16) | H12A—C12—H12B | 107.8 |
| C18—N3—Cd | 121.00 (15) | C12—C13—H13A | 109.5 |
| C23—N4—C19 | 118.4 (2) | C12—C13—H13B | 109.5 |
| C23—N4—Cd | 122.04 (16) | H13A—C13—H13B | 109.5 |
| C19—N4—Cd | 119.35 (15) | C12—C13—H13C | 109.5 |
| N1—C1—S2 | 120.62 (19) | H13A—C13—H13C | 109.5 |
| N1—C1—S1 | 120.58 (19) | H13B—C13—H13C | 109.5 |
| S2—C1—S1 | 118.80 (14) | N3—C14—C15 | 123.0 (2) |
| N1—C2—H2A | 109.5 | N3—C14—H14 | 118.5 |
| N1—C2—H2B | 109.5 | C15—C14—H14 | 118.5 |
| H2A—C2—H2B | 109.5 | C16—C15—C14 | 118.6 (2) |
| N1—C2—H2C | 109.5 | C16—C15—H15 | 120.7 |
| H2A—C2—H2C | 109.5 | C14—C15—H15 | 120.7 |
| H2B—C2—H2C | 109.5 | C15—C16—C17 | 119.3 (2) |
| N1—C3—C4 | 112.5 (2) | C15—C16—H16 | 120.3 |
| N1—C3—H3A | 109.1 | C17—C16—H16 | 120.3 |
| C4—C3—H3A | 109.1 | C18—C17—C16 | 118.9 (2) |
| N1—C3—H3B | 109.1 | C18—C17—H17 | 120.6 |
| C4—C3—H3B | 109.1 | C16—C17—H17 | 120.6 |
| H3A—C3—H3B | 107.8 | N3—C18—C17 | 121.5 (2) |
| C5—C4—C3 | 113.9 (2) | N3—C18—C19 | 116.3 (2) |
| C5—C4—H4A | 108.8 | C17—C18—C19 | 122.1 (2) |
| C3—C4—H4A | 108.8 | N4—C19—C20 | 121.6 (2) |
| C5—C4—H4B | 108.8 | N4—C19—C18 | 115.3 (2) |
| C3—C4—H4B | 108.8 | C20—C19—C18 | 123.1 (2) |
| H4A—C4—H4B | 107.7 | C21—C20—C19 | 119.2 (2) |
| C4—C5—C6 | 112.7 (2) | C21—C20—H20 | 120.4 |
| C4—C5—H5A | 109.1 | C19—C20—H20 | 120.4 |
| C6—C5—H5A | 109.1 | C20—C21—C22 | 119.3 (2) |
| C4—C5—H5B | 109.1 | C20—C21—H21 | 120.3 |
| C6—C5—H5B | 109.1 | C22—C21—H21 | 120.3 |
| H5A—C5—H5B | 107.8 | C21—C22—C23 | 118.0 (2) |
| C5—C6—H6A | 109.5 | C21—C22—H22 | 121.0 |
| C5—C6—H6B | 109.5 | C23—C22—H22 | 121.0 |
| H6A—C6—H6B | 109.5 | N4—C23—C22 | 123.4 (2) |
| C5—C6—H6C | 109.5 | N4—C23—H23 | 118.3 |
| H6A—C6—H6C | 109.5 | C22—C23—H23 | 118.3 |
| H6B—C6—H6C | 109.5 | ||
| N3—Cd—S1—C1 | −78.98 (10) | Cd—S2—C1—S1 | −7.09 (13) |
| N4—Cd—S1—C1 | −134.92 (9) | Cd—S1—C1—N1 | −172.43 (19) |
| S3—Cd—S1—C1 | 139.60 (8) | Cd—S1—C1—S2 | 7.49 (13) |
| S4—Cd—S1—C1 | 67.87 (8) | C1—N1—C3—C4 | −108.9 (3) |
| S2—Cd—S1—C1 | −4.42 (8) | C2—N1—C3—C4 | 75.2 (3) |
| N3—Cd—S2—C1 | 137.55 (9) | N1—C3—C4—C5 | 68.0 (3) |
| N4—Cd—S2—C1 | 73.04 (10) | C3—C4—C5—C6 | −178.6 (2) |
| S1—Cd—S2—C1 | 4.47 (8) | C9—N2—C7—S4 | 0.6 (3) |
| S3—Cd—S2—C1 | −75.42 (9) | C8—N2—C7—S4 | −178.37 (19) |
| S4—Cd—S2—C1 | −128.96 (8) | C9—N2—C7—S3 | −179.28 (19) |
| N3—Cd—S3—C7 | 82.82 (10) | C8—N2—C7—S3 | 1.8 (3) |
| N4—Cd—S3—C7 | 145.11 (9) | Cd—S4—C7—N2 | −179.9 (2) |
| S1—Cd—S3—C7 | −128.65 (8) | Cd—S4—C7—S3 | −0.02 (13) |
| S4—Cd—S3—C7 | −0.01 (8) | Cd—S3—C7—N2 | 179.86 (19) |
| S2—Cd—S3—C7 | −60.22 (9) | Cd—S3—C7—S4 | 0.02 (13) |
| N3—Cd—S4—C7 | −116.17 (9) | C7—N2—C9—C11 | 116.6 (3) |
| N4—Cd—S4—C7 | −57.04 (11) | C8—N2—C9—C11 | −64.4 (3) |
| S1—Cd—S4—C7 | 88.29 (8) | N2—C9—C11—C12 | −178.0 (2) |
| S3—Cd—S4—C7 | 0.01 (8) | C9—C11—C12—C13 | −168.1 (3) |
| S2—Cd—S4—C7 | 149.67 (8) | C18—N3—C14—C15 | 0.6 (4) |
| N4—Cd—N3—C14 | −176.21 (19) | Cd—N3—C14—C15 | −174.99 (19) |
| S1—Cd—N3—C14 | 119.77 (16) | N3—C14—C15—C16 | 1.2 (4) |
| S3—Cd—N3—C14 | −102.54 (17) | C14—C15—C16—C17 | −1.7 (4) |
| S4—Cd—N3—C14 | −35.56 (17) | C15—C16—C17—C18 | 0.3 (4) |
| S2—Cd—N3—C14 | 56.94 (17) | C14—N3—C18—C17 | −2.1 (3) |
| N4—Cd—N3—C18 | 8.28 (16) | Cd—N3—C18—C17 | 173.52 (17) |
| S1—Cd—N3—C18 | −55.74 (19) | C14—N3—C18—C19 | 176.7 (2) |
| S3—Cd—N3—C18 | 81.95 (17) | Cd—N3—C18—C19 | −7.7 (3) |
| S4—Cd—N3—C18 | 148.92 (16) | C16—C17—C18—N3 | 1.6 (4) |
| S2—Cd—N3—C18 | −118.57 (16) | C16—C17—C18—C19 | −177.1 (2) |
| N3—Cd—N4—C23 | 176.6 (2) | C23—N4—C19—C20 | 2.0 (3) |
| S1—Cd—N4—C23 | −46.31 (18) | Cd—N4—C19—C20 | −173.34 (17) |
| S3—Cd—N4—C23 | 56.83 (18) | C23—N4—C19—C18 | −177.0 (2) |
| S4—Cd—N4—C23 | 107.98 (18) | Cd—N4—C19—C18 | 7.6 (3) |
| S2—Cd—N4—C23 | −105.41 (18) | N3—C18—C19—N4 | −0.2 (3) |
| N3—Cd—N4—C19 | −8.27 (16) | C17—C18—C19—N4 | 178.6 (2) |
| S1—Cd—N4—C19 | 128.86 (17) | N3—C18—C19—C20 | −179.2 (2) |
| S3—Cd—N4—C19 | −128.00 (17) | C17—C18—C19—C20 | −0.4 (4) |
| S4—Cd—N4—C19 | −76.85 (19) | N4—C19—C20—C21 | −2.3 (4) |
| S2—Cd—N4—C19 | 69.76 (18) | C18—C19—C20—C21 | 176.7 (2) |
| C2—N1—C1—S2 | −2.0 (3) | C19—C20—C21—C22 | 0.4 (4) |
| C3—N1—C1—S2 | −177.74 (18) | C20—C21—C22—C23 | 1.5 (4) |
| C2—N1—C1—S1 | 177.93 (18) | C19—N4—C23—C22 | 0.1 (4) |
| C3—N1—C1—S1 | 2.2 (3) | Cd—N4—C23—C22 | 175.32 (19) |
| Cd—S2—C1—N1 | 172.83 (19) | C21—C22—C23—N4 | −1.9 (4) |
| H··· | ||||
| C16—H16···S3i | 0.95 | 2.74 | 3.685 (3) | 172 |
Selected bond lengths (Å)
| Cd—S1 | 2.6104 (7) |
| Cd—S2 | 2.7685 (7) |
| Cd—S3 | 2.6468 (7) |
| Cd—S4 | 2.6783 (7) |
| Cd—N3 | 2.379 (2) |
| Cd—N4 | 2.441 (2) |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| C16—H16⋯S3i | 0.95 | 2.74 | 3.685 (3) | 172 |
Symmetry code: (i) .