| Literature DB >> 21581536 |
Weiguang Zhang1, Zhengjing Jiang, Lude Lu.
Abstract
The asymmetric unit of the title compound, [Cd(C(10)H(8)N(2))(3)](ClO(4))(2)·0.5H(2)O, consists of one complex [Cd(bpy)(3)](2+) cation (bpy = 2,2'-bipyridine), two perchlorate anions and one water molecule with half-occupancy. The central cadmium(II) ion is bound to six N atoms from three bpy ligands in a distorted octa-hedral coordination, with Cd-N bond distances ranging from 2.304 (3) to 2.395 (2) Å.Entities:
Year: 2008 PMID: 21581536 PMCID: PMC2967850 DOI: 10.1107/S1600536808036593
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Cd(C10H8N2)3](ClO4)2·0.5H2O | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 5350 reflections | |
| θ = 2.3–24.2° | |
| µ = 0.93 mm−1 | |
| α = 104.631 (1)° | |
| β = 92.652 (1)° | Block, light red |
| γ = 100.520 (1)° | 0.20 × 0.16 × 0.12 mm |
| Bruker SMART CCD area-detector diffractometer | 6067 independent reflections |
| Radiation source: fine-focus sealed tube | 5114 reflections with |
| graphite | |
| φ and ω scans | θmax = 26.0°, θmin = 1.2° |
| Absorption correction: multi-scan ( | |
| 19563 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 | |
| 6067 reflections | (Δ/σ)max = 0.001 |
| 434 parameters | Δρmax = 0.44 e Å−3 |
| 0 restraints | Δρmin = −0.54 e Å−3 |
| 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 |
| Occ. (<1) | |||||
| Cd1 | 0.49907 (3) | 0.73554 (2) | 0.243298 (12) | 0.03097 (10) | |
| N1 | 0.6598 (3) | 0.6830 (2) | 0.33902 (14) | 0.0294 (6) | |
| N2 | 0.6508 (3) | 0.5860 (2) | 0.18631 (14) | 0.0301 (6) | |
| N3 | 0.3534 (3) | 0.7832 (3) | 0.14562 (14) | 0.0322 (6) | |
| N4 | 0.6676 (3) | 0.8972 (3) | 0.20701 (14) | 0.0317 (6) | |
| N5 | 0.2893 (3) | 0.5889 (3) | 0.28060 (15) | 0.0343 (6) | |
| N6 | 0.3367 (3) | 0.8481 (3) | 0.32562 (14) | 0.0336 (6) | |
| C1 | 0.7042 (3) | 0.5700 (3) | 0.31281 (16) | 0.0275 (6) | |
| C2 | 0.7179 (4) | 0.4891 (3) | 0.35877 (18) | 0.0348 (7) | |
| H2 | 0.7476 | 0.4086 | 0.3390 | 0.042* | |
| C3 | 0.6876 (4) | 0.5275 (3) | 0.43375 (19) | 0.0402 (8) | |
| H3 | 0.6949 | 0.4733 | 0.4661 | 0.048* | |
| C4 | 0.6469 (4) | 0.6444 (4) | 0.46057 (19) | 0.0399 (8) | |
| H4 | 0.6284 | 0.6735 | 0.5122 | 0.048* | |
| C5 | 0.6330 (4) | 0.7198 (3) | 0.41210 (17) | 0.0336 (7) | |
| H5 | 0.6034 | 0.8006 | 0.4310 | 0.040* | |
| C6 | 0.7320 (4) | 0.5340 (3) | 0.23180 (17) | 0.0280 (6) | |
| C7 | 0.8391 (4) | 0.4527 (3) | 0.20353 (19) | 0.0373 (8) | |
| H7 | 0.8951 | 0.4154 | 0.2360 | 0.045* | |
| C8 | 0.8633 (4) | 0.4266 (3) | 0.1278 (2) | 0.0411 (8) | |
| H8 | 0.9369 | 0.3718 | 0.1077 | 0.049* | |
| C9 | 0.7789 (4) | 0.4813 (3) | 0.08131 (19) | 0.0398 (8) | |
| H9 | 0.7934 | 0.4651 | 0.0290 | 0.048* | |
| C10 | 0.6737 (4) | 0.5596 (3) | 0.11315 (18) | 0.0352 (7) | |
| H10 | 0.6146 | 0.5965 | 0.0815 | 0.042* | |
| C11 | 0.4207 (4) | 0.8910 (3) | 0.12777 (17) | 0.0312 (7) | |
| C12 | 0.3271 (5) | 0.9441 (4) | 0.0842 (2) | 0.0444 (9) | |
| H12 | 0.3754 | 1.0210 | 0.0723 | 0.053* | |
| C13 | 0.1647 (5) | 0.8857 (4) | 0.0582 (2) | 0.0491 (9) | |
| H13 | 0.0998 | 0.9217 | 0.0282 | 0.059* | |
| C14 | 0.0970 (4) | 0.7748 (4) | 0.07580 (19) | 0.0447 (9) | |
| H14 | −0.0149 | 0.7320 | 0.0580 | 0.054* | |
| C15 | 0.1953 (4) | 0.7269 (3) | 0.12003 (19) | 0.0414 (8) | |
| H15 | 0.1485 | 0.6505 | 0.1329 | 0.050* | |
| C16 | 0.5991 (4) | 0.9476 (3) | 0.15684 (17) | 0.0330 (7) | |
| C17 | 0.6922 (5) | 1.0456 (4) | 0.1331 (2) | 0.0464 (9) | |
| H17 | 0.6415 | 1.0839 | 0.0996 | 0.056* | |
| C18 | 0.8591 (5) | 1.0872 (4) | 0.1585 (2) | 0.0555 (11) | |
| H18 | 0.9249 | 1.1541 | 0.1423 | 0.067* | |
| C19 | 0.9301 (4) | 1.0308 (4) | 0.2077 (2) | 0.0468 (9) | |
| H19 | 1.0460 | 1.0556 | 0.2244 | 0.056* | |
| C20 | 0.8297 (4) | 0.9392 (3) | 0.23142 (19) | 0.0409 (8) | |
| H20 | 0.8769 | 0.9030 | 0.2671 | 0.049* | |
| C21 | 0.2114 (4) | 0.6420 (3) | 0.34008 (17) | 0.0365 (8) | |
| C22 | 0.1362 (4) | 0.5700 (4) | 0.3857 (2) | 0.0515 (11) | |
| H22 | 0.0852 | 0.6096 | 0.4283 | 0.062* | |
| C23 | 0.1353 (5) | 0.4418 (5) | 0.3693 (2) | 0.0656 (14) | |
| H23 | 0.0832 | 0.3916 | 0.4001 | 0.079* | |
| C24 | 0.2102 (5) | 0.3873 (4) | 0.3083 (3) | 0.0612 (13) | |
| H24 | 0.2092 | 0.2981 | 0.2950 | 0.073* | |
| C25 | 0.2881 (4) | 0.4648 (3) | 0.2658 (2) | 0.0450 (9) | |
| H25 | 0.3432 | 0.4270 | 0.2241 | 0.054* | |
| C26 | 0.2157 (4) | 0.7800 (3) | 0.35443 (17) | 0.0357 (8) | |
| C27 | 0.0983 (4) | 0.8389 (5) | 0.3950 (2) | 0.0543 (11) | |
| H27 | 0.0124 | 0.7901 | 0.4149 | 0.065* | |
| C28 | 0.1078 (5) | 0.9681 (5) | 0.4058 (2) | 0.0625 (13) | |
| H28 | 0.0298 | 1.0098 | 0.4339 | 0.075* | |
| C29 | 0.2321 (6) | 1.0361 (4) | 0.3754 (2) | 0.0587 (12) | |
| H29 | 0.2398 | 1.1251 | 0.3814 | 0.070* | |
| C30 | 0.3449 (5) | 0.9735 (4) | 0.3362 (2) | 0.0434 (9) | |
| H30 | 0.4317 | 1.0209 | 0.3159 | 0.052* | |
| Cl1 | 0.30915 (10) | 0.28250 (8) | 0.06302 (4) | 0.03444 (19) | |
| O1 | 0.2886 (4) | 0.4107 (3) | 0.07130 (16) | 0.0558 (7) | |
| O2 | 0.4439 (3) | 0.2792 (3) | 0.11403 (16) | 0.0599 (8) | |
| O3 | 0.3387 (6) | 0.2297 (4) | −0.01150 (18) | 0.1051 (14) | |
| O4 | 0.1617 (4) | 0.2129 (3) | 0.0806 (2) | 0.0909 (13) | |
| Cl2 | 0.75289 (11) | 0.16580 (8) | 0.41261 (5) | 0.0389 (2) | |
| O5 | 0.7279 (3) | 0.0316 (2) | 0.40528 (15) | 0.0488 (6) | |
| O6 | 0.6449 (3) | 0.2223 (3) | 0.46332 (17) | 0.0605 (8) | |
| O7 | 0.9241 (3) | 0.2243 (3) | 0.44150 (15) | 0.0558 (7) | |
| O8 | 0.7206 (4) | 0.1863 (2) | 0.34000 (15) | 0.0639 (8) | |
| O9 | 0.4144 (9) | 0.1855 (6) | 0.2510 (3) | 0.0752 (19) | 0.50 |
| H9A | 0.4323 | 0.2135 | 0.2125 | 0.090* | 0.50 |
| H9B | 0.5080 | 0.1881 | 0.2741 | 0.090* | 0.50 |
| Cd1 | 0.03118 (15) | 0.03525 (17) | 0.03679 (15) | 0.01384 (10) | 0.01081 (10) | 0.02177 (11) |
| N1 | 0.0266 (13) | 0.0319 (15) | 0.0321 (13) | 0.0070 (11) | 0.0015 (10) | 0.0123 (11) |
| N2 | 0.0314 (14) | 0.0286 (14) | 0.0346 (14) | 0.0091 (11) | 0.0050 (11) | 0.0136 (11) |
| N3 | 0.0347 (14) | 0.0329 (15) | 0.0339 (14) | 0.0088 (12) | 0.0074 (11) | 0.0158 (12) |
| N4 | 0.0332 (14) | 0.0316 (15) | 0.0331 (14) | 0.0070 (11) | 0.0079 (11) | 0.0123 (12) |
| N5 | 0.0298 (14) | 0.0376 (17) | 0.0343 (14) | −0.0015 (12) | −0.0016 (11) | 0.0144 (12) |
| N6 | 0.0276 (13) | 0.0422 (17) | 0.0334 (14) | 0.0115 (12) | 0.0054 (11) | 0.0108 (12) |
| C1 | 0.0245 (15) | 0.0268 (16) | 0.0332 (15) | 0.0059 (12) | 0.0013 (12) | 0.0115 (13) |
| C2 | 0.0365 (17) | 0.0321 (18) | 0.0413 (18) | 0.0124 (14) | 0.0049 (14) | 0.0155 (15) |
| C3 | 0.044 (2) | 0.044 (2) | 0.0403 (18) | 0.0098 (16) | 0.0021 (15) | 0.0245 (16) |
| C4 | 0.0398 (19) | 0.052 (2) | 0.0304 (16) | 0.0107 (16) | 0.0043 (14) | 0.0142 (16) |
| C5 | 0.0330 (17) | 0.0354 (19) | 0.0342 (16) | 0.0093 (14) | 0.0040 (13) | 0.0104 (14) |
| C6 | 0.0260 (15) | 0.0258 (16) | 0.0349 (16) | 0.0062 (12) | 0.0033 (12) | 0.0120 (13) |
| C7 | 0.0389 (18) | 0.0336 (18) | 0.0431 (18) | 0.0155 (15) | 0.0008 (14) | 0.0117 (15) |
| C8 | 0.0415 (19) | 0.0353 (19) | 0.048 (2) | 0.0167 (15) | 0.0110 (15) | 0.0067 (16) |
| C9 | 0.048 (2) | 0.038 (2) | 0.0345 (17) | 0.0082 (16) | 0.0124 (15) | 0.0109 (15) |
| C10 | 0.0399 (18) | 0.0368 (19) | 0.0338 (17) | 0.0095 (15) | 0.0081 (14) | 0.0163 (14) |
| C11 | 0.0402 (18) | 0.0288 (17) | 0.0295 (15) | 0.0120 (14) | 0.0088 (13) | 0.0123 (13) |
| C12 | 0.053 (2) | 0.042 (2) | 0.047 (2) | 0.0158 (17) | 0.0025 (17) | 0.0229 (17) |
| C13 | 0.055 (2) | 0.054 (2) | 0.049 (2) | 0.0261 (19) | −0.0013 (17) | 0.0233 (19) |
| C14 | 0.0367 (19) | 0.056 (2) | 0.0426 (19) | 0.0150 (17) | −0.0029 (15) | 0.0124 (17) |
| C15 | 0.0425 (19) | 0.039 (2) | 0.0441 (19) | 0.0038 (15) | 0.0016 (15) | 0.0179 (16) |
| C16 | 0.0432 (18) | 0.0288 (17) | 0.0329 (16) | 0.0102 (14) | 0.0127 (14) | 0.0153 (14) |
| C17 | 0.054 (2) | 0.044 (2) | 0.048 (2) | 0.0061 (17) | 0.0139 (17) | 0.0257 (17) |
| C18 | 0.059 (3) | 0.042 (2) | 0.065 (3) | −0.0041 (19) | 0.023 (2) | 0.020 (2) |
| C19 | 0.0372 (19) | 0.045 (2) | 0.053 (2) | 0.0009 (16) | 0.0099 (16) | 0.0086 (18) |
| C20 | 0.041 (2) | 0.038 (2) | 0.0427 (19) | 0.0066 (16) | 0.0029 (15) | 0.0106 (16) |
| C21 | 0.0248 (16) | 0.053 (2) | 0.0295 (16) | −0.0026 (14) | −0.0019 (12) | 0.0162 (15) |
| C22 | 0.0375 (19) | 0.074 (3) | 0.0388 (19) | −0.0165 (19) | −0.0037 (15) | 0.0289 (19) |
| C23 | 0.050 (2) | 0.088 (4) | 0.054 (3) | −0.028 (2) | −0.015 (2) | 0.044 (3) |
| C24 | 0.061 (3) | 0.047 (2) | 0.071 (3) | −0.018 (2) | −0.025 (2) | 0.035 (2) |
| C25 | 0.043 (2) | 0.039 (2) | 0.051 (2) | −0.0024 (16) | −0.0087 (16) | 0.0181 (17) |
| C26 | 0.0251 (16) | 0.056 (2) | 0.0271 (15) | 0.0074 (15) | 0.0023 (12) | 0.0129 (15) |
| C27 | 0.0343 (19) | 0.097 (4) | 0.0361 (19) | 0.026 (2) | 0.0081 (15) | 0.016 (2) |
| C28 | 0.053 (3) | 0.103 (4) | 0.041 (2) | 0.050 (3) | 0.0073 (18) | 0.011 (2) |
| C29 | 0.075 (3) | 0.057 (3) | 0.047 (2) | 0.041 (2) | −0.010 (2) | 0.003 (2) |
| C30 | 0.043 (2) | 0.040 (2) | 0.048 (2) | 0.0144 (16) | −0.0003 (16) | 0.0095 (17) |
| Cl1 | 0.0324 (4) | 0.0375 (5) | 0.0363 (4) | 0.0062 (3) | 0.0032 (3) | 0.0155 (3) |
| O1 | 0.0639 (18) | 0.0448 (16) | 0.0671 (18) | 0.0208 (14) | 0.0003 (14) | 0.0238 (14) |
| O2 | 0.0509 (16) | 0.0511 (17) | 0.080 (2) | 0.0109 (13) | −0.0190 (14) | 0.0257 (15) |
| O3 | 0.184 (4) | 0.103 (3) | 0.0511 (19) | 0.082 (3) | 0.038 (2) | 0.0193 (19) |
| O4 | 0.0405 (16) | 0.090 (3) | 0.167 (4) | 0.0002 (16) | 0.0150 (19) | 0.087 (3) |
| Cl2 | 0.0446 (5) | 0.0342 (5) | 0.0418 (4) | 0.0122 (4) | 0.0064 (4) | 0.0137 (4) |
| O5 | 0.0504 (15) | 0.0356 (14) | 0.0681 (17) | 0.0119 (11) | 0.0114 (13) | 0.0242 (13) |
| O6 | 0.0511 (16) | 0.0616 (18) | 0.0702 (19) | 0.0283 (14) | 0.0178 (14) | 0.0060 (15) |
| O7 | 0.0423 (14) | 0.0619 (18) | 0.0617 (17) | −0.0040 (13) | 0.0091 (12) | 0.0235 (14) |
| O8 | 0.109 (2) | 0.0407 (16) | 0.0478 (15) | 0.0232 (16) | −0.0063 (15) | 0.0195 (13) |
| O9 | 0.105 (5) | 0.075 (4) | 0.066 (4) | 0.045 (4) | 0.018 (3) | 0.036 (3) |
| Cd1—N4 | 2.304 (3) | C13—H13 | 0.9500 |
| Cd1—N2 | 2.312 (3) | C14—C15 | 1.377 (5) |
| Cd1—N6 | 2.330 (3) | C14—H14 | 0.9500 |
| Cd1—N3 | 2.329 (3) | C15—H15 | 0.9500 |
| Cd1—N5 | 2.383 (3) | C16—C17 | 1.380 (5) |
| Cd1—N1 | 2.395 (2) | C17—C18 | 1.375 (5) |
| N1—C1 | 1.340 (4) | C17—H17 | 0.9500 |
| N1—C5 | 1.343 (4) | C18—C19 | 1.382 (6) |
| N2—C10 | 1.332 (4) | C18—H18 | 0.9500 |
| N2—C6 | 1.341 (4) | C19—C20 | 1.356 (5) |
| N3—C15 | 1.334 (4) | C19—H19 | 0.9500 |
| N3—C11 | 1.341 (4) | C20—H20 | 0.9500 |
| N4—C20 | 1.337 (4) | C21—C22 | 1.384 (5) |
| N4—C16 | 1.341 (4) | C21—C26 | 1.471 (5) |
| N5—C25 | 1.325 (4) | C22—C23 | 1.368 (6) |
| N5—C21 | 1.349 (4) | C22—H22 | 0.9500 |
| N6—C30 | 1.336 (4) | C23—C24 | 1.362 (7) |
| N6—C26 | 1.342 (4) | C23—H23 | 0.9500 |
| C1—C2 | 1.390 (4) | C24—C25 | 1.389 (5) |
| C1—C6 | 1.481 (4) | C24—H24 | 0.9500 |
| C2—C3 | 1.384 (5) | C25—H25 | 0.9500 |
| C2—H2 | 0.9500 | C26—C27 | 1.395 (5) |
| C3—C4 | 1.367 (5) | C27—C28 | 1.375 (6) |
| C3—H3 | 0.9500 | C27—H27 | 0.9500 |
| C4—C5 | 1.378 (5) | C28—C29 | 1.376 (6) |
| C4—H4 | 0.9500 | C28—H28 | 0.9500 |
| C5—H5 | 0.9500 | C29—C30 | 1.374 (5) |
| C6—C7 | 1.391 (4) | C29—H29 | 0.9500 |
| C7—C8 | 1.380 (5) | C30—H30 | 0.9500 |
| C7—H7 | 0.9500 | Cl1—O3 | 1.398 (3) |
| C8—C9 | 1.389 (5) | Cl1—O4 | 1.404 (3) |
| C8—H8 | 0.9500 | Cl1—O2 | 1.425 (2) |
| C9—C10 | 1.374 (5) | Cl1—O1 | 1.425 (3) |
| C9—H9 | 0.9500 | Cl2—O6 | 1.422 (3) |
| C10—H10 | 0.9500 | Cl2—O5 | 1.427 (3) |
| C11—C12 | 1.384 (4) | Cl2—O8 | 1.430 (3) |
| C11—C16 | 1.492 (4) | Cl2—O7 | 1.444 (3) |
| C12—C13 | 1.370 (5) | O9—H9A | 0.8500 |
| C12—H12 | 0.9500 | O9—H9B | 0.8500 |
| C13—C14 | 1.370 (5) | ||
| N4—Cd1—N2 | 92.41 (9) | C11—C12—H12 | 120.0 |
| N4—Cd1—N6 | 101.98 (10) | C12—C13—C14 | 119.3 (3) |
| N2—Cd1—N6 | 162.88 (10) | C12—C13—H13 | 120.4 |
| N4—Cd1—N3 | 71.23 (9) | C14—C13—H13 | 120.4 |
| N2—Cd1—N3 | 106.18 (9) | C13—C14—C15 | 118.3 (3) |
| N6—Cd1—N3 | 87.41 (9) | C13—C14—H14 | 120.8 |
| N4—Cd1—N5 | 170.37 (9) | C15—C14—H14 | 120.8 |
| N2—Cd1—N5 | 96.17 (10) | N3—C15—C14 | 122.8 (3) |
| N6—Cd1—N5 | 70.34 (10) | N3—C15—H15 | 118.6 |
| N3—Cd1—N5 | 102.03 (9) | C14—C15—H15 | 118.6 |
| N4—Cd1—N1 | 107.32 (9) | N4—C16—C17 | 120.7 (3) |
| N2—Cd1—N1 | 70.96 (9) | N4—C16—C11 | 116.7 (3) |
| N6—Cd1—N1 | 95.64 (9) | C17—C16—C11 | 122.6 (3) |
| N3—Cd1—N1 | 176.86 (8) | C18—C17—C16 | 119.4 (4) |
| N5—Cd1—N1 | 79.74 (9) | C18—C17—H17 | 120.3 |
| C1—N1—C5 | 118.7 (3) | C16—C17—H17 | 120.3 |
| C1—N1—Cd1 | 111.40 (18) | C17—C18—C19 | 119.4 (4) |
| C5—N1—Cd1 | 121.4 (2) | C17—C18—H18 | 120.3 |
| C10—N2—C6 | 119.4 (3) | C19—C18—H18 | 120.3 |
| C10—N2—Cd1 | 123.3 (2) | C20—C19—C18 | 118.1 (3) |
| C6—N2—Cd1 | 116.9 (2) | C20—C19—H19 | 120.9 |
| C15—N3—C11 | 119.1 (3) | C18—C19—H19 | 120.9 |
| C15—N3—Cd1 | 123.0 (2) | N4—C20—C19 | 123.1 (3) |
| C11—N3—Cd1 | 116.1 (2) | N4—C20—H20 | 118.4 |
| C20—N4—C16 | 119.1 (3) | C19—C20—H20 | 118.4 |
| C20—N4—Cd1 | 123.3 (2) | N5—C21—C22 | 121.2 (4) |
| C16—N4—Cd1 | 117.5 (2) | N5—C21—C26 | 116.2 (3) |
| C25—N5—C21 | 118.0 (3) | C22—C21—C26 | 122.5 (3) |
| C25—N5—Cd1 | 122.9 (2) | C23—C22—C21 | 120.0 (4) |
| C21—N5—Cd1 | 114.7 (2) | C23—C22—H22 | 120.0 |
| C30—N6—C26 | 119.6 (3) | C21—C22—H22 | 120.0 |
| C30—N6—Cd1 | 122.2 (2) | C24—C23—C22 | 118.9 (4) |
| C26—N6—Cd1 | 117.6 (2) | C24—C23—H23 | 120.5 |
| N1—C1—C2 | 121.6 (3) | C22—C23—H23 | 120.5 |
| N1—C1—C6 | 116.5 (3) | C23—C24—C25 | 118.6 (4) |
| C2—C1—C6 | 121.8 (3) | C23—C24—H24 | 120.7 |
| C3—C2—C1 | 119.0 (3) | C25—C24—H24 | 120.7 |
| C3—C2—H2 | 120.5 | N5—C25—C24 | 123.2 (4) |
| C1—C2—H2 | 120.5 | N5—C25—H25 | 118.4 |
| C4—C3—C2 | 119.0 (3) | C24—C25—H25 | 118.4 |
| C4—C3—H3 | 120.5 | N6—C26—C27 | 120.6 (4) |
| C2—C3—H3 | 120.5 | N6—C26—C21 | 117.1 (3) |
| C3—C4—C5 | 119.4 (3) | C27—C26—C21 | 122.2 (3) |
| C3—C4—H4 | 120.3 | C28—C27—C26 | 119.5 (4) |
| C5—C4—H4 | 120.3 | C28—C27—H27 | 120.2 |
| N1—C5—C4 | 122.2 (3) | C26—C27—H27 | 120.2 |
| N1—C5—H5 | 118.9 | C27—C28—C29 | 119.0 (4) |
| C4—C5—H5 | 118.9 | C27—C28—H28 | 120.5 |
| N2—C6—C7 | 120.9 (3) | C29—C28—H28 | 120.5 |
| N2—C6—C1 | 116.6 (3) | C30—C29—C28 | 119.1 (4) |
| C7—C6—C1 | 122.5 (3) | C30—C29—H29 | 120.4 |
| C8—C7—C6 | 119.4 (3) | C28—C29—H29 | 120.4 |
| C8—C7—H7 | 120.3 | N6—C30—C29 | 122.2 (4) |
| C6—C7—H7 | 120.3 | N6—C30—H30 | 118.9 |
| C7—C8—C9 | 119.2 (3) | C29—C30—H30 | 118.9 |
| C7—C8—H8 | 120.4 | O3—Cl1—O4 | 110.3 (3) |
| C9—C8—H8 | 120.4 | O3—Cl1—O2 | 110.4 (2) |
| C10—C9—C8 | 118.1 (3) | O4—Cl1—O2 | 108.31 (19) |
| C10—C9—H9 | 120.9 | O3—Cl1—O1 | 109.2 (2) |
| C8—C9—H9 | 120.9 | O4—Cl1—O1 | 108.11 (19) |
| N2—C10—C9 | 123.0 (3) | O2—Cl1—O1 | 110.55 (16) |
| N2—C10—H10 | 118.5 | O6—Cl2—O5 | 110.51 (17) |
| C9—C10—H10 | 118.5 | O6—Cl2—O8 | 109.87 (19) |
| N3—C11—C12 | 120.6 (3) | O5—Cl2—O8 | 109.15 (16) |
| N3—C11—C16 | 116.4 (3) | O6—Cl2—O7 | 108.97 (17) |
| C12—C11—C16 | 123.0 (3) | O5—Cl2—O7 | 109.12 (16) |
| C13—C12—C11 | 120.0 (3) | O8—Cl2—O7 | 109.20 (17) |
| C13—C12—H12 | 120.0 | H9A—O9—H9B | 108.6 |
Selected geometric parameters (Å, °)
| Cd1—N4 | 2.304 (3) |
| Cd1—N2 | 2.312 (3) |
| Cd1—N6 | 2.330 (3) |
| Cd1—N3 | 2.329 (3) |
| Cd1—N5 | 2.383 (3) |
| Cd1—N1 | 2.395 (2) |