| Literature DB >> 24454152 |
Koji Kubono1, Keita Tani1, Kunihiko Yokoi1, Teruo Shinmyozu2, Kenta Goto2.
Abstract
In the title linear homo-trinuclear complex, [Cd3(C19H18Cl2N2O2)2(C2H3O2)2], the central Cd(II) atom is located on a centre of inversion and has a distorted octa-hedral coordination geometry formed by four O atoms from two bidentate/tetra-dentate Schiff base ligands and two O atoms from two bridging acetate ligands. The coordination geometry of the terminal Cd(II) atom is square-pyramidal with the tetra-dentate part of the ligand in the basal plane and one O atom from an acetate ligand occupying the apical site. The six-membered CdN2C3 ring adopts a chair conformation. The acetate-bridged Cd⋯Cd distance is 3.3071 (2) Å. The crystal structure is stabilized by C-H⋯O hydrogen bonds, which form C(7) chain motifs and give rise to a two-dimensional supra-molecular network structure lying parallel to the ab plane.Entities:
Year: 2013 PMID: 24454152 PMCID: PMC3884977 DOI: 10.1107/S1600536813029413
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Cd3(C19H18Cl2N2O2)2(C2H3O2)2] | |
| Orthorhombic, | Mo |
| Hall symbol: -P 2ac 2ab | Cell parameters from 65865 reflections |
| θ = 3.2–27.5° | |
| µ = 1.71 mm−1 | |
| Prism, colorless | |
| 0.21 × 0.16 × 0.11 mm |
| Rigaku RAPID-HR diffractometer | 4990 reflections with |
| Detector resolution: 10.00 pixels mm-1 | |
| ω scans | θmax = 27.5° |
| Absorption correction: multi-scan ( | |
| 70676 measured reflections | |
| 5107 independent reflections |
| Refinement on | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H-atom parameters constrained | |
| 5107 reflections | (Δ/σ)max = 0.002 |
| 280 parameters | Δρmax = 0.43 e Å−3 |
| 0 restraints | Δρmin = −0.84 e Å−3 |
| Primary atom site location: structure-invariant direct methods |
| 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 was performed using all reflections. The weighted |
| Cd1 | 0.362773 (5) | 0.859740 (9) | 0.441968 (5) | 0.02095 (5) | |
| Cd2 | 0.5000 | 1.0000 | 0.5000 | 0.01883 (5) | |
| Cl1 | 0.51482 (2) | 1.15865 (3) | 0.144318 (18) | 0.02734 (8) | |
| Cl2 | 0.20809 (2) | 1.33156 (4) | 0.66126 (2) | 0.03710 (10) | |
| O1 | 0.45450 (5) | 0.95298 (10) | 0.40088 (5) | 0.0225 (2) | |
| O2 | 0.38433 (5) | 0.99130 (10) | 0.52101 (6) | 0.0257 (3) | |
| O3 | 0.40248 (6) | 0.70129 (10) | 0.48903 (5) | 0.0250 (3) | |
| O4 | 0.49801 (6) | 0.79948 (11) | 0.51990 (7) | 0.0299 (3) | |
| N1 | 0.32621 (6) | 0.85897 (10) | 0.33787 (6) | 0.0212 (3) | |
| N2 | 0.25153 (6) | 0.89528 (12) | 0.46924 (6) | 0.0251 (3) | |
| C1 | 0.46601 (7) | 0.99631 (12) | 0.34260 (7) | 0.0194 (3) | |
| C2 | 0.52539 (7) | 1.06800 (13) | 0.33204 (7) | 0.0226 (3) | |
| C3 | 0.53978 (8) | 1.11685 (13) | 0.27195 (7) | 0.0237 (3) | |
| C4 | 0.49576 (7) | 1.09536 (13) | 0.21952 (7) | 0.0214 (3) | |
| C5 | 0.43805 (7) | 1.02528 (13) | 0.22745 (7) | 0.0206 (3) | |
| C6 | 0.42155 (7) | 0.97504 (12) | 0.28852 (7) | 0.0192 (3) | |
| C7 | 0.35682 (7) | 0.90848 (13) | 0.28945 (7) | 0.0208 (3) | |
| C8 | 0.26034 (8) | 0.79767 (13) | 0.32396 (8) | 0.0269 (3) | |
| C9 | 0.19671 (8) | 0.84468 (14) | 0.36087 (8) | 0.0258 (3) | |
| C10 | 0.19962 (8) | 0.82302 (16) | 0.43504 (8) | 0.0300 (4) | |
| C11 | 0.18625 (9) | 0.97609 (16) | 0.34678 (9) | 0.0350 (4) | |
| C12 | 0.13541 (9) | 0.7716 (3) | 0.33557 (11) | 0.0470 (6) | |
| C13 | 0.22970 (8) | 0.97577 (17) | 0.50828 (8) | 0.0267 (3) | |
| C14 | 0.26924 (7) | 1.06011 (15) | 0.54673 (7) | 0.0243 (3) | |
| C15 | 0.22917 (8) | 1.14259 (15) | 0.58208 (8) | 0.0276 (4) | |
| C16 | 0.25948 (8) | 1.22761 (15) | 0.62020 (7) | 0.0280 (4) | |
| C17 | 0.33148 (8) | 1.23407 (15) | 0.62587 (8) | 0.0290 (4) | |
| C18 | 0.37173 (8) | 1.15406 (15) | 0.59164 (8) | 0.0264 (4) | |
| C19 | 0.34295 (8) | 1.06565 (14) | 0.55137 (7) | 0.0224 (3) | |
| C20 | 0.45884 (8) | 0.71155 (13) | 0.52040 (7) | 0.0230 (3) | |
| C21 | 0.47888 (10) | 0.60752 (18) | 0.56294 (10) | 0.0379 (4) | |
| H2 | 0.5561 | 1.0827 | 0.3673 | 0.0271* | |
| H3 | 0.5797 | 1.1651 | 0.2663 | 0.0284* | |
| H5 | 0.4088 | 1.0104 | 0.1912 | 0.0247* | |
| H7 | 0.3342 | 0.9006 | 0.2486 | 0.0250* | |
| H8A | 0.2661 | 0.7125 | 0.3345 | 0.0322* | |
| H8B | 0.2510 | 0.8036 | 0.2767 | 0.0322* | |
| H10A | 0.1534 | 0.8400 | 0.4538 | 0.0360* | |
| H10B | 0.2099 | 0.7381 | 0.4429 | 0.0360* | |
| H11A | 0.1455 | 1.0048 | 0.3705 | 0.0420* | |
| H11B | 0.1793 | 0.9876 | 0.2999 | 0.0420* | |
| H11C | 0.2272 | 1.0205 | 0.3609 | 0.0420* | |
| H12A | 0.1283 | 0.7884 | 0.2892 | 0.0564* | |
| H12B | 0.0935 | 0.7928 | 0.3599 | 0.0564* | |
| H12C | 0.1452 | 0.6869 | 0.3414 | 0.0564* | |
| H13 | 0.1808 | 0.9810 | 0.5127 | 0.0320* | |
| H15 | 0.1801 | 1.1390 | 0.5794 | 0.0332* | |
| H17 | 0.3524 | 1.2925 | 0.6528 | 0.0348* | |
| H18 | 0.4207 | 1.1589 | 0.5954 | 0.0317* | |
| H21A | 0.4760 | 0.6309 | 0.6088 | 0.0454* | |
| H21B | 0.5264 | 0.5831 | 0.5527 | 0.0454* | |
| H21C | 0.4472 | 0.5412 | 0.5548 | 0.0454* |
| Cd1 | 0.01340 (7) | 0.02433 (7) | 0.02512 (8) | 0.00059 (3) | 0.00053 (3) | 0.00617 (4) |
| Cd2 | 0.01134 (8) | 0.02545 (9) | 0.01971 (9) | 0.00049 (5) | 0.00088 (5) | 0.00179 (5) |
| Cl1 | 0.02882 (18) | 0.03126 (18) | 0.02194 (17) | −0.00684 (14) | 0.00090 (14) | 0.00652 (13) |
| Cl2 | 0.0367 (3) | 0.0413 (3) | 0.0332 (2) | 0.01901 (18) | 0.01043 (17) | 0.00549 (17) |
| O1 | 0.0169 (5) | 0.0313 (6) | 0.0192 (5) | −0.0029 (4) | 0.0008 (4) | 0.0037 (4) |
| O2 | 0.0130 (5) | 0.0361 (6) | 0.0279 (6) | 0.0022 (4) | 0.0028 (5) | −0.0027 (5) |
| O3 | 0.0213 (5) | 0.0280 (6) | 0.0257 (5) | 0.0032 (5) | 0.0015 (4) | 0.0065 (4) |
| O4 | 0.0257 (6) | 0.0267 (6) | 0.0372 (7) | 0.0003 (4) | 0.0035 (5) | 0.0063 (5) |
| N1 | 0.0161 (6) | 0.0207 (6) | 0.0269 (7) | −0.0006 (5) | 0.0010 (5) | −0.0003 (5) |
| N2 | 0.0147 (6) | 0.0366 (7) | 0.0241 (7) | −0.0010 (6) | 0.0008 (5) | 0.0066 (5) |
| C1 | 0.0156 (7) | 0.0212 (7) | 0.0214 (7) | 0.0021 (5) | 0.0024 (6) | 0.0014 (5) |
| C2 | 0.0158 (7) | 0.0299 (7) | 0.0219 (7) | −0.0024 (6) | −0.0010 (5) | 0.0017 (6) |
| C3 | 0.0177 (7) | 0.0270 (7) | 0.0263 (7) | −0.0040 (6) | 0.0016 (6) | 0.0014 (6) |
| C4 | 0.0210 (7) | 0.0232 (7) | 0.0200 (7) | 0.0003 (5) | 0.0026 (5) | 0.0029 (6) |
| C5 | 0.0187 (7) | 0.0228 (6) | 0.0203 (7) | 0.0007 (6) | −0.0012 (5) | −0.0006 (6) |
| C6 | 0.0157 (6) | 0.0194 (6) | 0.0224 (7) | 0.0010 (5) | 0.0019 (5) | −0.0007 (5) |
| C7 | 0.0176 (7) | 0.0208 (7) | 0.0241 (7) | 0.0008 (5) | −0.0004 (5) | −0.0033 (6) |
| C8 | 0.0214 (7) | 0.0223 (7) | 0.0369 (8) | −0.0065 (6) | 0.0044 (6) | −0.0052 (6) |
| C9 | 0.0176 (7) | 0.0291 (8) | 0.0306 (8) | −0.0044 (6) | 0.0003 (6) | −0.0040 (6) |
| C10 | 0.0177 (7) | 0.0377 (9) | 0.0346 (9) | −0.0084 (7) | 0.0026 (6) | 0.0049 (7) |
| C11 | 0.0314 (9) | 0.0352 (9) | 0.0383 (9) | 0.0094 (7) | −0.0095 (8) | 0.0005 (8) |
| C12 | 0.0240 (9) | 0.0685 (15) | 0.0485 (12) | −0.0192 (9) | 0.0050 (8) | −0.0235 (11) |
| C13 | 0.0124 (7) | 0.0436 (9) | 0.0241 (7) | 0.0026 (7) | 0.0018 (6) | 0.0069 (7) |
| C14 | 0.0163 (7) | 0.0363 (8) | 0.0202 (7) | 0.0053 (6) | 0.0014 (5) | 0.0065 (6) |
| C15 | 0.0168 (7) | 0.0435 (10) | 0.0225 (8) | 0.0096 (6) | 0.0038 (6) | 0.0092 (6) |
| C16 | 0.0263 (8) | 0.0345 (8) | 0.0232 (7) | 0.0124 (7) | 0.0062 (6) | 0.0062 (6) |
| C17 | 0.0266 (8) | 0.0328 (8) | 0.0276 (8) | 0.0027 (7) | 0.0027 (6) | 0.0011 (7) |
| C18 | 0.0181 (7) | 0.0338 (8) | 0.0273 (8) | 0.0029 (6) | 0.0008 (6) | 0.0020 (6) |
| C19 | 0.0151 (7) | 0.0308 (8) | 0.0213 (7) | 0.0033 (6) | 0.0027 (5) | 0.0058 (6) |
| C20 | 0.0210 (7) | 0.0262 (7) | 0.0218 (7) | 0.0046 (6) | 0.0051 (6) | 0.0042 (6) |
| C21 | 0.0333 (10) | 0.0339 (9) | 0.0463 (11) | −0.0015 (8) | −0.0108 (8) | 0.0164 (8) |
| Cd1—O1 | 2.2253 (11) | C9—C12 | 1.532 (3) |
| Cd1—O2 | 2.2370 (12) | C13—C14 | 1.452 (3) |
| Cd1—O3 | 2.1698 (12) | C14—C15 | 1.410 (3) |
| Cd1—N1 | 2.2513 (13) | C14—C19 | 1.428 (2) |
| Cd1—N2 | 2.2555 (12) | C15—C16 | 1.368 (3) |
| Cd2—O1 | 2.2794 (11) | C16—C17 | 1.397 (3) |
| Cd2—O1i | 2.2794 (11) | C17—C18 | 1.382 (3) |
| Cd2—O2 | 2.2767 (10) | C18—C19 | 1.409 (3) |
| Cd2—O2i | 2.2767 (10) | C20—C21 | 1.512 (3) |
| Cd2—O4 | 2.2959 (13) | C2—H2 | 0.950 |
| Cd2—O4i | 2.2959 (13) | C3—H3 | 0.950 |
| Cl1—C4 | 1.7403 (15) | C5—H5 | 0.950 |
| Cl2—C16 | 1.7512 (17) | C7—H7 | 0.950 |
| O1—C1 | 1.3115 (18) | C8—H8A | 0.990 |
| O2—C19 | 1.3147 (19) | C8—H8B | 0.990 |
| O3—C20 | 1.2698 (19) | C10—H10A | 0.990 |
| O4—C20 | 1.246 (2) | C10—H10B | 0.990 |
| N1—C7 | 1.2842 (19) | C11—H11A | 0.980 |
| N1—C8 | 1.475 (2) | C11—H11B | 0.980 |
| N2—C10 | 1.470 (2) | C11—H11C | 0.980 |
| N2—C13 | 1.282 (3) | C12—H12A | 0.980 |
| C1—C2 | 1.419 (2) | C12—H12B | 0.980 |
| C1—C6 | 1.424 (2) | C12—H12C | 0.980 |
| C2—C3 | 1.379 (2) | C13—H13 | 0.950 |
| C3—C4 | 1.393 (2) | C15—H15 | 0.950 |
| C4—C5 | 1.375 (2) | C17—H17 | 0.950 |
| C5—C6 | 1.412 (2) | C18—H18 | 0.950 |
| C6—C7 | 1.458 (2) | C21—H21A | 0.980 |
| C8—C9 | 1.538 (3) | C21—H21B | 0.980 |
| C9—C10 | 1.544 (3) | C21—H21C | 0.980 |
| C9—C11 | 1.522 (3) | ||
| O1—Cd1—O2 | 79.30 (4) | N2—C13—C14 | 129.06 (14) |
| O1—Cd1—O3 | 106.02 (5) | C13—C14—C15 | 114.99 (13) |
| O1—Cd1—N1 | 83.76 (4) | C13—C14—C19 | 126.08 (14) |
| O1—Cd1—N2 | 140.20 (5) | C15—C14—C19 | 118.93 (14) |
| O2—Cd1—O3 | 98.98 (5) | C14—C15—C16 | 121.40 (15) |
| O2—Cd1—N1 | 138.58 (5) | Cl2—C16—C15 | 120.08 (12) |
| O2—Cd1—N2 | 83.07 (5) | Cl2—C16—C17 | 119.27 (13) |
| O3—Cd1—N1 | 122.04 (4) | C15—C16—C17 | 120.65 (15) |
| O3—Cd1—N2 | 111.83 (5) | C16—C17—C18 | 118.89 (15) |
| N1—Cd1—N2 | 86.44 (5) | C17—C18—C19 | 122.53 (15) |
| O1—Cd2—O1i | 180.00 (6) | O2—C19—C14 | 123.11 (14) |
| O1—Cd2—O2 | 77.36 (4) | O2—C19—C18 | 119.28 (14) |
| O1—Cd2—O2i | 102.64 (4) | C14—C19—C18 | 117.60 (14) |
| O1—Cd2—O4 | 85.63 (5) | O3—C20—O4 | 126.03 (15) |
| O1—Cd2—O4i | 94.37 (5) | O3—C20—C21 | 116.22 (14) |
| O1i—Cd2—O2 | 102.64 (4) | O4—C20—C21 | 117.74 (15) |
| O1i—Cd2—O2i | 77.36 (4) | C1—C2—H2 | 119.118 |
| O1i—Cd2—O4 | 94.37 (5) | C3—C2—H2 | 119.114 |
| O1i—Cd2—O4i | 85.63 (5) | C2—C3—H3 | 120.024 |
| O2—Cd2—O2i | 180.00 (6) | C4—C3—H3 | 120.026 |
| O2—Cd2—O4 | 84.69 (4) | C4—C5—H5 | 119.399 |
| O2—Cd2—O4i | 95.31 (4) | C6—C5—H5 | 119.406 |
| O2i—Cd2—O4 | 95.31 (4) | N1—C7—H7 | 115.542 |
| O2i—Cd2—O4i | 84.69 (4) | C6—C7—H7 | 115.541 |
| O4—Cd2—O4i | 180.00 (7) | N1—C8—H8A | 108.369 |
| Cd1—O1—Cd2 | 94.46 (4) | N1—C8—H8B | 108.371 |
| Cd1—O1—C1 | 131.04 (9) | C9—C8—H8A | 108.384 |
| Cd2—O1—C1 | 131.54 (9) | C9—C8—H8B | 108.387 |
| Cd1—O2—Cd2 | 94.22 (5) | H8A—C8—H8B | 107.442 |
| Cd1—O2—C19 | 130.77 (10) | N2—C10—H10A | 108.721 |
| Cd2—O2—C19 | 131.19 (10) | N2—C10—H10B | 108.717 |
| Cd1—O3—C20 | 116.99 (10) | C9—C10—H10A | 108.725 |
| Cd2—O4—C20 | 142.52 (11) | C9—C10—H10B | 108.728 |
| Cd1—N1—C7 | 126.10 (10) | H10A—C10—H10B | 107.633 |
| Cd1—N1—C8 | 117.13 (10) | C9—C11—H11A | 109.477 |
| C7—N1—C8 | 116.76 (13) | C9—C11—H11B | 109.476 |
| Cd1—N2—C10 | 115.62 (10) | C9—C11—H11C | 109.471 |
| Cd1—N2—C13 | 126.45 (11) | H11A—C11—H11B | 109.472 |
| C10—N2—C13 | 117.80 (13) | H11A—C11—H11C | 109.461 |
| O1—C1—C2 | 119.22 (13) | H11B—C11—H11C | 109.470 |
| O1—C1—C6 | 123.16 (13) | C9—C12—H12A | 109.468 |
| C2—C1—C6 | 117.62 (13) | C9—C12—H12B | 109.476 |
| C1—C2—C3 | 121.77 (14) | C9—C12—H12C | 109.467 |
| C2—C3—C4 | 119.95 (14) | H12A—C12—H12B | 109.466 |
| Cl1—C4—C3 | 119.06 (11) | H12A—C12—H12C | 109.472 |
| Cl1—C4—C5 | 120.77 (11) | H12B—C12—H12C | 109.479 |
| C3—C4—C5 | 120.17 (14) | N2—C13—H13 | 115.482 |
| C4—C5—C6 | 121.20 (13) | C14—C13—H13 | 115.461 |
| C1—C6—C5 | 119.28 (13) | C14—C15—H15 | 119.306 |
| C1—C6—C7 | 126.39 (13) | C16—C15—H15 | 119.296 |
| C5—C6—C7 | 114.28 (13) | C16—C17—H17 | 120.554 |
| N1—C7—C6 | 128.92 (14) | C18—C17—H17 | 120.553 |
| N1—C8—C9 | 115.61 (13) | C17—C18—H18 | 118.727 |
| C8—C9—C10 | 113.76 (13) | C19—C18—H18 | 118.741 |
| C8—C9—C11 | 110.32 (13) | C20—C21—H21A | 109.462 |
| C8—C9—C12 | 105.37 (14) | C20—C21—H21B | 109.465 |
| C10—C9—C11 | 110.26 (14) | C20—C21—H21C | 109.462 |
| C10—C9—C12 | 106.13 (14) | H21A—C21—H21B | 109.487 |
| C11—C9—C12 | 110.83 (15) | H21A—C21—H21C | 109.485 |
| N2—C10—C9 | 114.13 (14) | H21B—C21—H21C | 109.466 |
| O1—Cd1—O2—Cd2 | −28.74 (4) | O4—Cd2—O2—C19 | 142.33 (11) |
| O1—Cd1—O2—C19 | 130.57 (11) | O2—Cd2—O4i—C20i | 156.99 (16) |
| O2—Cd1—O1—Cd2 | 28.71 (4) | O4i—Cd2—O2—Cd1 | 121.51 (5) |
| O2—Cd1—O1—C1 | −133.05 (10) | O4i—Cd2—O2—C19 | −37.67 (11) |
| O1—Cd1—O3—C20 | 39.81 (8) | O2i—Cd2—O4—C20 | −156.99 (16) |
| O3—Cd1—O1—Cd2 | −67.66 (5) | O4—Cd2—O2i—Cd1i | −121.51 (5) |
| O3—Cd1—O1—C1 | 130.58 (9) | O4—Cd2—O2i—C19i | 37.67 (11) |
| O1—Cd1—N1—C7 | −4.33 (9) | O2i—Cd2—O4i—C20i | −23.01 (16) |
| O1—Cd1—N1—C8 | 176.77 (8) | O4i—Cd2—O2i—Cd1i | 58.49 (5) |
| N1—Cd1—O1—Cd2 | 170.75 (5) | O4i—Cd2—O2i—C19i | −142.33 (11) |
| N1—Cd1—O1—C1 | 8.98 (9) | Cd1—O1—C1—C2 | 170.40 (7) |
| O1—Cd1—N2—C10 | 120.25 (8) | Cd1—O1—C1—C6 | −9.61 (19) |
| O1—Cd1—N2—C13 | −55.53 (13) | Cd2—O1—C1—C2 | 15.04 (18) |
| N2—Cd1—O1—Cd2 | 93.98 (7) | Cd2—O1—C1—C6 | −164.98 (8) |
| N2—Cd1—O1—C1 | −67.79 (12) | Cd1—O2—C19—C14 | 12.4 (2) |
| O2—Cd1—O3—C20 | −41.55 (8) | Cd1—O2—C19—C18 | −168.95 (8) |
| O3—Cd1—O2—Cd2 | 76.00 (5) | Cd2—O2—C19—C14 | 164.46 (9) |
| O3—Cd1—O2—C19 | −124.68 (10) | Cd2—O2—C19—C18 | −16.9 (2) |
| O2—Cd1—N1—C7 | 61.70 (12) | Cd1—O3—C20—O4 | −9.83 (19) |
| O2—Cd1—N1—C8 | −117.20 (7) | Cd1—O3—C20—C21 | 169.05 (7) |
| N1—Cd1—O2—Cd2 | −96.32 (6) | Cd2—O4—C20—O3 | 22.9 (3) |
| N1—Cd1—O2—C19 | 62.99 (12) | Cd2—O4—C20—C21 | −155.94 (13) |
| O2—Cd1—N2—C10 | −175.73 (9) | Cd1—N1—C7—C6 | 0.7 (2) |
| O2—Cd1—N2—C13 | 8.50 (10) | Cd1—N1—C8—C9 | 58.78 (13) |
| N2—Cd1—O2—Cd2 | −172.89 (5) | C7—N1—C8—C9 | −120.22 (14) |
| N2—Cd1—O2—C19 | −13.58 (10) | C8—N1—C7—C6 | 179.65 (12) |
| O3—Cd1—N1—C7 | −109.35 (9) | Cd1—N2—C10—C9 | −64.13 (14) |
| O3—Cd1—N1—C8 | 71.75 (9) | Cd1—N2—C13—C14 | −3.0 (3) |
| N1—Cd1—O3—C20 | 132.47 (7) | C10—N2—C13—C14 | −178.65 (14) |
| O3—Cd1—N2—C10 | −78.79 (8) | C13—N2—C10—C9 | 112.03 (16) |
| O3—Cd1—N2—C13 | 105.43 (10) | O1—C1—C2—C3 | −179.39 (12) |
| N2—Cd1—O3—C20 | −127.64 (8) | O1—C1—C6—C5 | −179.95 (11) |
| N1—Cd1—N2—C10 | 44.42 (8) | O1—C1—C6—C7 | 2.7 (3) |
| N1—Cd1—N2—C13 | −131.36 (10) | C2—C1—C6—C5 | 0.03 (19) |
| N2—Cd1—N1—C7 | 137.03 (10) | C2—C1—C6—C7 | −177.28 (12) |
| N2—Cd1—N1—C8 | −41.86 (8) | C6—C1—C2—C3 | 0.6 (2) |
| O1—Cd2—O2—Cd1 | 28.21 (4) | C1—C2—C3—C4 | −0.6 (2) |
| O1—Cd2—O2—C19 | −130.97 (11) | C2—C3—C4—Cl1 | 179.67 (12) |
| O2—Cd2—O1—Cd1 | −28.38 (4) | C2—C3—C4—C5 | −0.2 (2) |
| O2—Cd2—O1—C1 | 133.23 (10) | Cl1—C4—C5—C6 | −179.00 (9) |
| O1—Cd2—O2i—Cd1i | 151.79 (4) | C3—C4—C5—C6 | 0.8 (2) |
| O1—Cd2—O2i—C19i | −49.03 (11) | C4—C5—C6—C1 | −0.8 (2) |
| O2i—Cd2—O1—Cd1 | 151.62 (4) | C4—C5—C6—C7 | 176.87 (12) |
| O2i—Cd2—O1—C1 | −46.77 (10) | C1—C6—C7—N1 | 1.8 (3) |
| O1—Cd2—O4—C20 | −54.67 (16) | C5—C6—C7—N1 | −175.58 (13) |
| O4—Cd2—O1—Cd1 | 57.15 (5) | N1—C8—C9—C10 | −66.99 (16) |
| O4—Cd2—O1—C1 | −141.24 (9) | N1—C8—C9—C11 | 57.51 (16) |
| O1—Cd2—O4i—C20i | −125.33 (16) | N1—C8—C9—C12 | 177.18 (11) |
| O4i—Cd2—O1—Cd1 | −122.85 (5) | C8—C9—C10—N2 | 70.18 (17) |
| O4i—Cd2—O1—C1 | 38.76 (9) | C11—C9—C10—N2 | −54.36 (17) |
| O1i—Cd2—O2—Cd1 | −151.79 (4) | C12—C9—C10—N2 | −174.44 (14) |
| O1i—Cd2—O2—C19 | 49.03 (11) | N2—C13—C14—C15 | 176.27 (16) |
| O2—Cd2—O1i—Cd1i | −151.62 (4) | N2—C13—C14—C19 | −3.8 (3) |
| O2—Cd2—O1i—C1i | 46.77 (10) | C13—C14—C15—C16 | −179.71 (14) |
| O1i—Cd2—O2i—Cd1i | −28.21 (4) | C13—C14—C19—O2 | −1.1 (3) |
| O1i—Cd2—O2i—C19i | 130.97 (11) | C13—C14—C19—C18 | −179.75 (14) |
| O2i—Cd2—O1i—Cd1i | 28.38 (4) | C15—C14—C19—O2 | 178.88 (14) |
| O2i—Cd2—O1i—C1i | −133.23 (10) | C15—C14—C19—C18 | 0.2 (2) |
| O1i—Cd2—O4—C20 | 125.33 (16) | C19—C14—C15—C16 | 0.3 (3) |
| O4—Cd2—O1i—Cd1i | 122.85 (5) | C14—C15—C16—Cl2 | 177.90 (13) |
| O4—Cd2—O1i—C1i | −38.76 (9) | C14—C15—C16—C17 | −0.9 (3) |
| O1i—Cd2—O4i—C20i | 54.67 (16) | Cl2—C16—C17—C18 | −177.94 (10) |
| O4i—Cd2—O1i—Cd1i | −57.15 (5) | C15—C16—C17—C18 | 0.8 (3) |
| O4i—Cd2—O1i—C1i | 141.24 (9) | C16—C17—C18—C19 | −0.3 (3) |
| O2—Cd2—O4—C20 | 23.01 (16) | C17—C18—C19—O2 | −178.95 (14) |
| O4—Cd2—O2—Cd1 | −58.49 (5) | C17—C18—C19—C14 | −0.2 (3) |
| H··· | ||||
| C15—H15···O3ii | 0.95 | 2.54 | 3.248 (2) | 131 |
Hydrogen-bond geometry (Å, °)
|
|
| H⋯ |
|
|
|---|---|---|---|---|
| C15—H15⋯O3i | 0.95 | 2.54 | 3.248 (2) | 131 |
Symmetry code: (i) .