| Literature DB >> 21578093 |
Stephan Peitz1, Normen Peulecke, Bernd H Müller, Anke Spannenberg, Uwe Rosenthal.
Abstract
The title compound, [CrCl(2)(CH(3)CN)(2)(C(26)H(36)N(2))]·CH(3)CN, was synthesized by the reaction of CrCl(2)(THF)(2) with N,N'-bis-(2,6-diisopropyl-phen-yl)ethane-1,2-diimine in dichloro-methane/acetonitrile. The chromium center is coordinated by two N atoms of the chelating diimine ligand, two chloride ions in a trans configuration with respect to each other, and by two N atoms of two acetonitrile mol-ecules in a distorted octa-hedral geometry.Entities:
Year: 2009 PMID: 21578093 PMCID: PMC2971420 DOI: 10.1107/S1600536809040094
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [CrCl2(C2H3N)2(C26H36N2)]·C2H3N | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 12659 reflections |
| θ = 2.1–29.6° | |
| µ = 0.52 mm−1 | |
| β = 97.838 (2)° | Prism, brown |
| 0.5 × 0.5 × 0.4 mm | |
| Stoe IPDSII diffractometer | 7489 independent reflections |
| Radiation source: fine-focus sealed tube | 6233 reflections with |
| graphite | |
| ω scans | θmax = 27.0°, θmin = 1.9° |
| Absorption correction: numerical ( | |
| 53468 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 | |
| 7489 reflections | (Δ/σ)max = 0.001 |
| 364 parameters | Δρmax = 0.47 e Å−3 |
| 0 restraints | Δρmin = −0.40 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 |
| N5 | 0.1588 (3) | 0.3180 (4) | 0.4602 (4) | 0.1140 (18) | |
| C31 | 0.1283 (3) | 0.3863 (4) | 0.4315 (3) | 0.0728 (13) | |
| C32 | 0.0890 (2) | 0.4750 (3) | 0.3954 (3) | 0.0679 (11) | |
| H32A | 0.1213 | 0.5336 | 0.4020 | 0.102* | |
| H32B | 0.0490 | 0.4866 | 0.4325 | 0.102* | |
| H32C | 0.0700 | 0.4652 | 0.3271 | 0.102* | |
| C1 | 0.27829 (12) | 0.77519 (18) | 0.13545 (17) | 0.0227 (5) | |
| H1A | 0.2894 | 0.8190 | 0.0857 | 0.027* | |
| C2 | 0.24076 (12) | 0.68549 (18) | 0.11524 (18) | 0.0225 (5) | |
| H2A | 0.2236 | 0.6656 | 0.0508 | 0.027* | |
| C3 | 0.32484 (13) | 0.89587 (17) | 0.25385 (17) | 0.0215 (5) | |
| C4 | 0.27698 (13) | 0.96797 (18) | 0.28368 (18) | 0.0249 (5) | |
| C5 | 0.30411 (14) | 1.06144 (19) | 0.3145 (2) | 0.0301 (6) | |
| H5A | 0.2729 | 1.1101 | 0.3365 | 0.036* | |
| C6 | 0.37644 (15) | 1.0852 (2) | 0.3138 (2) | 0.0329 (6) | |
| H6A | 0.3945 | 1.1490 | 0.3369 | 0.039* | |
| C7 | 0.42186 (14) | 1.0162 (2) | 0.2795 (2) | 0.0315 (6) | |
| H7A | 0.4705 | 1.0343 | 0.2762 | 0.038* | |
| C8 | 0.39764 (13) | 0.91987 (19) | 0.24949 (19) | 0.0264 (5) | |
| C9 | 0.19649 (13) | 0.9481 (2) | 0.2747 (2) | 0.0320 (6) | |
| H9A | 0.1893 | 0.8732 | 0.2716 | 0.038* | |
| C10 | 0.16000 (18) | 0.9923 (3) | 0.1792 (3) | 0.0591 (10) | |
| H10A | 0.1831 | 0.9654 | 0.1257 | 0.089* | |
| H10B | 0.1647 | 1.0660 | 0.1809 | 0.089* | |
| H10C | 0.1088 | 0.9740 | 0.1699 | 0.089* | |
| C11 | 0.16168 (17) | 0.9872 (3) | 0.3605 (3) | 0.0514 (9) | |
| H11A | 0.1863 | 0.9579 | 0.4205 | 0.077* | |
| H11B | 0.1107 | 0.9679 | 0.3524 | 0.077* | |
| H11C | 0.1657 | 1.0609 | 0.3636 | 0.077* | |
| C12 | 0.44939 (14) | 0.8477 (2) | 0.2111 (2) | 0.0335 (6) | |
| H12A | 0.4234 | 0.7826 | 0.1952 | 0.040* | |
| C13 | 0.47405 (18) | 0.8879 (3) | 0.1183 (3) | 0.0487 (8) | |
| H13A | 0.4319 | 0.9012 | 0.0703 | 0.073* | |
| H13B | 0.5049 | 0.8377 | 0.0927 | 0.073* | |
| H13C | 0.5012 | 0.9507 | 0.1324 | 0.073* | |
| C14 | 0.51433 (16) | 0.8257 (3) | 0.2870 (3) | 0.0483 (8) | |
| H14A | 0.4977 | 0.7995 | 0.3457 | 0.073* | |
| H14B | 0.5417 | 0.8880 | 0.3022 | 0.073* | |
| H14C | 0.5453 | 0.7754 | 0.2616 | 0.073* | |
| C15 | 0.17107 (13) | 0.55834 (18) | 0.17315 (17) | 0.0223 (5) | |
| C16 | 0.09994 (13) | 0.5968 (2) | 0.15552 (18) | 0.0257 (5) | |
| C17 | 0.04407 (15) | 0.5284 (2) | 0.1314 (2) | 0.0344 (6) | |
| H17A | −0.0040 | 0.5526 | 0.1185 | 0.041* | |
| C18 | 0.05677 (16) | 0.4263 (2) | 0.1257 (2) | 0.0390 (7) | |
| H18A | 0.0177 | 0.3812 | 0.1089 | 0.047* | |
| C19 | 0.12614 (16) | 0.3896 (2) | 0.1445 (2) | 0.0374 (7) | |
| H19A | 0.1342 | 0.3190 | 0.1413 | 0.045* | |
| C20 | 0.18483 (14) | 0.45424 (19) | 0.16800 (19) | 0.0282 (5) | |
| C21 | 0.08221 (13) | 0.7084 (2) | 0.1614 (2) | 0.0293 (6) | |
| H21A | 0.1275 | 0.7449 | 0.1872 | 0.035* | |
| C22 | 0.05521 (16) | 0.7513 (2) | 0.0607 (2) | 0.0401 (7) | |
| H22A | 0.0913 | 0.7388 | 0.0174 | 0.060* | |
| H22B | 0.0474 | 0.8242 | 0.0657 | 0.060* | |
| H22C | 0.0098 | 0.7184 | 0.0348 | 0.060* | |
| C23 | 0.02642 (16) | 0.7285 (3) | 0.2299 (2) | 0.0448 (8) | |
| H23A | 0.0440 | 0.7012 | 0.2940 | 0.067* | |
| H23B | −0.0192 | 0.6957 | 0.2046 | 0.067* | |
| H23C | 0.0188 | 0.8014 | 0.2348 | 0.067* | |
| C24 | 0.26105 (15) | 0.4138 (2) | 0.1798 (2) | 0.0331 (6) | |
| H24A | 0.2930 | 0.4647 | 0.2173 | 0.040* | |
| C25 | 0.28633 (18) | 0.4018 (3) | 0.0804 (3) | 0.0496 (8) | |
| H25A | 0.2807 | 0.4662 | 0.0456 | 0.074* | |
| H25B | 0.2573 | 0.3499 | 0.0433 | 0.074* | |
| H25C | 0.3371 | 0.3817 | 0.0889 | 0.074* | |
| C26 | 0.2691 (2) | 0.3140 (2) | 0.2351 (3) | 0.0593 (10) | |
| H26A | 0.2531 | 0.3227 | 0.2985 | 0.089* | |
| H26B | 0.3198 | 0.2932 | 0.2437 | 0.089* | |
| H26C | 0.2397 | 0.2622 | 0.1984 | 0.089* | |
| Cl1 | 0.39614 (3) | 0.60550 (5) | 0.26626 (5) | 0.03066 (15) | |
| Cl2 | 0.19247 (3) | 0.71492 (5) | 0.38646 (4) | 0.02861 (14) | |
| Cr1 | 0.29054 (2) | 0.67426 (3) | 0.31096 (3) | 0.01897 (9) | |
| N1 | 0.29772 (10) | 0.79602 (14) | 0.22866 (14) | 0.0200 (4) | |
| N2 | 0.23010 (10) | 0.62865 (14) | 0.19125 (14) | 0.0191 (4) | |
| N3 | 0.35525 (11) | 0.75068 (17) | 0.42260 (15) | 0.0273 (5) | |
| C27 | 0.38699 (14) | 0.8105 (2) | 0.46731 (19) | 0.0298 (6) | |
| C28 | 0.42740 (19) | 0.8893 (3) | 0.5229 (2) | 0.0474 (8) | |
| H28A | 0.4790 | 0.8737 | 0.5293 | 0.071* | |
| H28B | 0.4123 | 0.8932 | 0.5873 | 0.071* | |
| H28C | 0.4183 | 0.9541 | 0.4898 | 0.071* | |
| N4 | 0.29488 (12) | 0.54279 (17) | 0.39918 (16) | 0.0306 (5) | |
| C29 | 0.30724 (16) | 0.4809 (2) | 0.4545 (2) | 0.0364 (6) | |
| C30 | 0.3258 (2) | 0.4026 (3) | 0.5276 (3) | 0.0606 (10) | |
| H30A | 0.3728 | 0.3735 | 0.5200 | 0.091* | |
| H30B | 0.2891 | 0.3494 | 0.5196 | 0.091* | |
| H30C | 0.3279 | 0.4323 | 0.5923 | 0.091* |
| N5 | 0.094 (3) | 0.100 (4) | 0.139 (5) | −0.025 (3) | −0.018 (3) | 0.045 (3) |
| C31 | 0.072 (3) | 0.080 (3) | 0.063 (3) | −0.039 (3) | 0.000 (2) | 0.012 (2) |
| C32 | 0.075 (3) | 0.072 (3) | 0.056 (2) | −0.030 (2) | 0.005 (2) | 0.004 (2) |
| C1 | 0.0220 (11) | 0.0240 (12) | 0.0226 (12) | 0.0000 (9) | 0.0053 (9) | 0.0049 (9) |
| C2 | 0.0225 (11) | 0.0237 (12) | 0.0212 (11) | 0.0004 (9) | 0.0028 (9) | 0.0000 (9) |
| C3 | 0.0218 (11) | 0.0196 (11) | 0.0223 (12) | −0.0035 (9) | 0.0004 (9) | 0.0033 (9) |
| C4 | 0.0244 (12) | 0.0209 (11) | 0.0284 (13) | −0.0001 (9) | 0.0005 (10) | 0.0035 (10) |
| C5 | 0.0306 (13) | 0.0212 (12) | 0.0386 (15) | 0.0017 (10) | 0.0050 (11) | 0.0013 (11) |
| C6 | 0.0366 (14) | 0.0213 (12) | 0.0397 (15) | −0.0096 (11) | 0.0020 (12) | −0.0012 (11) |
| C7 | 0.0254 (13) | 0.0298 (14) | 0.0388 (15) | −0.0088 (10) | 0.0028 (11) | 0.0012 (11) |
| C8 | 0.0235 (12) | 0.0268 (12) | 0.0290 (13) | −0.0027 (10) | 0.0039 (10) | 0.0030 (10) |
| C9 | 0.0222 (12) | 0.0241 (13) | 0.0491 (17) | 0.0017 (10) | 0.0028 (11) | −0.0021 (12) |
| C10 | 0.0368 (17) | 0.059 (2) | 0.075 (3) | 0.0022 (16) | −0.0151 (17) | 0.0134 (19) |
| C11 | 0.0326 (16) | 0.0463 (18) | 0.079 (3) | 0.0003 (14) | 0.0208 (16) | −0.0147 (17) |
| C12 | 0.0227 (12) | 0.0334 (14) | 0.0460 (16) | −0.0069 (10) | 0.0104 (11) | −0.0077 (12) |
| C13 | 0.0465 (18) | 0.053 (2) | 0.0511 (19) | −0.0157 (15) | 0.0244 (15) | −0.0143 (16) |
| C14 | 0.0292 (15) | 0.0533 (19) | 0.063 (2) | 0.0093 (14) | 0.0066 (14) | −0.0056 (17) |
| C15 | 0.0253 (12) | 0.0227 (12) | 0.0188 (11) | −0.0049 (9) | 0.0026 (9) | −0.0016 (9) |
| C16 | 0.0210 (11) | 0.0328 (13) | 0.0232 (12) | −0.0038 (10) | 0.0023 (9) | −0.0027 (10) |
| C17 | 0.0255 (13) | 0.0437 (16) | 0.0335 (15) | −0.0083 (12) | 0.0027 (11) | −0.0029 (12) |
| C18 | 0.0350 (15) | 0.0412 (16) | 0.0402 (16) | −0.0197 (13) | 0.0034 (13) | −0.0052 (13) |
| C19 | 0.0450 (17) | 0.0249 (13) | 0.0415 (16) | −0.0119 (12) | 0.0035 (13) | −0.0029 (12) |
| C20 | 0.0345 (14) | 0.0241 (12) | 0.0254 (13) | −0.0051 (10) | 0.0028 (10) | −0.0013 (10) |
| C21 | 0.0205 (12) | 0.0336 (14) | 0.0332 (14) | 0.0015 (10) | 0.0013 (10) | −0.0064 (11) |
| C22 | 0.0350 (15) | 0.0423 (16) | 0.0419 (17) | 0.0061 (13) | 0.0013 (13) | 0.0014 (13) |
| C23 | 0.0336 (15) | 0.059 (2) | 0.0427 (17) | 0.0101 (14) | 0.0077 (13) | −0.0114 (15) |
| C24 | 0.0373 (15) | 0.0211 (12) | 0.0394 (15) | 0.0021 (11) | −0.0006 (12) | −0.0004 (11) |
| C25 | 0.0441 (18) | 0.054 (2) | 0.051 (2) | 0.0076 (15) | 0.0073 (15) | −0.0061 (16) |
| C26 | 0.062 (2) | 0.0332 (17) | 0.081 (3) | 0.0076 (16) | 0.004 (2) | 0.0178 (17) |
| Cl1 | 0.0237 (3) | 0.0302 (3) | 0.0383 (4) | 0.0063 (2) | 0.0051 (2) | 0.0025 (3) |
| Cl2 | 0.0267 (3) | 0.0366 (3) | 0.0235 (3) | −0.0023 (2) | 0.0070 (2) | −0.0041 (2) |
| Cr1 | 0.01892 (18) | 0.01898 (18) | 0.01855 (18) | −0.00166 (14) | 0.00090 (13) | 0.00088 (15) |
| N1 | 0.0169 (9) | 0.0181 (9) | 0.0250 (10) | −0.0013 (7) | 0.0035 (8) | −0.0003 (8) |
| N2 | 0.0195 (9) | 0.0176 (9) | 0.0205 (10) | −0.0011 (7) | 0.0032 (8) | −0.0017 (8) |
| N3 | 0.0277 (11) | 0.0304 (11) | 0.0227 (11) | −0.0039 (9) | −0.0009 (9) | 0.0016 (9) |
| C27 | 0.0304 (13) | 0.0353 (15) | 0.0234 (13) | −0.0050 (11) | 0.0024 (10) | 0.0041 (11) |
| C28 | 0.057 (2) | 0.0473 (18) | 0.0369 (17) | −0.0224 (16) | 0.0029 (15) | −0.0106 (14) |
| N4 | 0.0340 (12) | 0.0283 (11) | 0.0291 (12) | −0.0043 (9) | 0.0029 (9) | 0.0024 (10) |
| C29 | 0.0433 (16) | 0.0306 (14) | 0.0344 (15) | −0.0051 (12) | 0.0018 (12) | 0.0042 (12) |
| C30 | 0.078 (3) | 0.046 (2) | 0.054 (2) | −0.0021 (18) | −0.0039 (19) | 0.0248 (17) |
| N5—C31 | 1.115 (6) | C16—C17 | 1.391 (4) |
| C31—C32 | 1.441 (7) | C16—C21 | 1.519 (4) |
| C32—H32A | 0.9800 | C17—C18 | 1.376 (4) |
| C32—H32B | 0.9800 | C17—H17A | 0.9500 |
| C32—H32C | 0.9800 | C18—C19 | 1.379 (4) |
| C1—N1 | 1.331 (3) | C18—H18A | 0.9500 |
| C1—C2 | 1.390 (3) | C19—C20 | 1.397 (4) |
| C1—H1A | 0.9500 | C19—H19A | 0.9500 |
| C2—N2 | 1.338 (3) | C20—C24 | 1.512 (4) |
| C2—H2A | 0.9500 | C21—C23 | 1.533 (4) |
| C3—C8 | 1.409 (3) | C21—C22 | 1.537 (4) |
| C3—C4 | 1.411 (3) | C21—H21A | 1.0000 |
| C3—N1 | 1.443 (3) | C22—H22A | 0.9800 |
| C4—C5 | 1.384 (3) | C22—H22B | 0.9800 |
| C4—C9 | 1.519 (3) | C22—H22C | 0.9800 |
| C5—C6 | 1.392 (4) | C23—H23A | 0.9800 |
| C5—H5A | 0.9500 | C23—H23B | 0.9800 |
| C6—C7 | 1.379 (4) | C23—H23C | 0.9800 |
| C6—H6A | 0.9500 | C24—C26 | 1.528 (4) |
| C7—C8 | 1.399 (4) | C24—C25 | 1.534 (4) |
| C7—H7A | 0.9500 | C24—H24A | 1.0000 |
| C8—C12 | 1.511 (4) | C25—H25A | 0.9800 |
| C9—C10 | 1.529 (4) | C25—H25B | 0.9800 |
| C9—C11 | 1.530 (4) | C25—H25C | 0.9800 |
| C9—H9A | 1.0000 | C26—H26A | 0.9800 |
| C10—H10A | 0.9800 | C26—H26B | 0.9800 |
| C10—H10B | 0.9800 | C26—H26C | 0.9800 |
| C10—H10C | 0.9800 | Cl1—Cr1 | 2.3382 (7) |
| C11—H11A | 0.9800 | Cl2—Cr1 | 2.3029 (7) |
| C11—H11B | 0.9800 | Cr1—N2 | 1.9806 (19) |
| C11—H11C | 0.9800 | Cr1—N1 | 1.995 (2) |
| C12—C14 | 1.528 (4) | Cr1—N3 | 2.099 (2) |
| C12—C13 | 1.530 (4) | Cr1—N4 | 2.128 (2) |
| C12—H12A | 1.0000 | N3—C27 | 1.127 (3) |
| C13—H13A | 0.9800 | C27—C28 | 1.450 (4) |
| C13—H13B | 0.9800 | C28—H28A | 0.9800 |
| C13—H13C | 0.9800 | C28—H28B | 0.9800 |
| C14—H14A | 0.9800 | C28—H28C | 0.9800 |
| C14—H14B | 0.9800 | N4—C29 | 1.128 (4) |
| C14—H14C | 0.9800 | C29—C30 | 1.465 (4) |
| C15—C20 | 1.406 (3) | C30—H30A | 0.9800 |
| C15—C16 | 1.417 (3) | C30—H30B | 0.9800 |
| C15—N2 | 1.441 (3) | C30—H30C | 0.9800 |
| N5—C31—C32 | 179.4 (6) | C18—C19—C20 | 121.3 (3) |
| C31—C32—H32A | 109.5 | C18—C19—H19A | 119.3 |
| C31—C32—H32B | 109.5 | C20—C19—H19A | 119.3 |
| H32A—C32—H32B | 109.5 | C19—C20—C15 | 118.0 (3) |
| C31—C32—H32C | 109.5 | C19—C20—C24 | 120.6 (2) |
| H32A—C32—H32C | 109.5 | C15—C20—C24 | 121.2 (2) |
| H32B—C32—H32C | 109.5 | C16—C21—C23 | 112.0 (2) |
| N1—C1—C2 | 116.0 (2) | C16—C21—C22 | 111.0 (2) |
| N1—C1—H1A | 122.0 | C23—C21—C22 | 109.8 (2) |
| C2—C1—H1A | 122.0 | C16—C21—H21A | 108.0 |
| N2—C2—C1 | 116.5 (2) | C23—C21—H21A | 108.0 |
| N2—C2—H2A | 121.7 | C22—C21—H21A | 108.0 |
| C1—C2—H2A | 121.8 | C21—C22—H22A | 109.5 |
| C8—C3—C4 | 121.2 (2) | C21—C22—H22B | 109.5 |
| C8—C3—N1 | 120.4 (2) | H22A—C22—H22B | 109.5 |
| C4—C3—N1 | 118.4 (2) | C21—C22—H22C | 109.5 |
| C5—C4—C3 | 118.4 (2) | H22A—C22—H22C | 109.5 |
| C5—C4—C9 | 119.9 (2) | H22B—C22—H22C | 109.5 |
| C3—C4—C9 | 121.4 (2) | C21—C23—H23A | 109.5 |
| C4—C5—C6 | 121.1 (2) | C21—C23—H23B | 109.5 |
| C4—C5—H5A | 119.4 | H23A—C23—H23B | 109.5 |
| C6—C5—H5A | 119.4 | C21—C23—H23C | 109.5 |
| C7—C6—C5 | 119.9 (2) | H23A—C23—H23C | 109.5 |
| C7—C6—H6A | 120.0 | H23B—C23—H23C | 109.5 |
| C5—C6—H6A | 120.0 | C20—C24—C26 | 112.8 (3) |
| C6—C7—C8 | 121.3 (2) | C20—C24—C25 | 110.0 (2) |
| C6—C7—H7A | 119.4 | C26—C24—C25 | 110.2 (3) |
| C8—C7—H7A | 119.4 | C20—C24—H24A | 107.9 |
| C7—C8—C3 | 118.0 (2) | C26—C24—H24A | 107.9 |
| C7—C8—C12 | 119.1 (2) | C25—C24—H24A | 107.9 |
| C3—C8—C12 | 122.9 (2) | C24—C25—H25A | 109.5 |
| C4—C9—C10 | 109.0 (2) | C24—C25—H25B | 109.5 |
| C4—C9—C11 | 113.6 (2) | H25A—C25—H25B | 109.5 |
| C10—C9—C11 | 111.4 (3) | C24—C25—H25C | 109.5 |
| C4—C9—H9A | 107.5 | H25A—C25—H25C | 109.5 |
| C10—C9—H9A | 107.5 | H25B—C25—H25C | 109.5 |
| C11—C9—H9A | 107.5 | C24—C26—H26A | 109.5 |
| C9—C10—H10A | 109.5 | C24—C26—H26B | 109.5 |
| C9—C10—H10B | 109.5 | H26A—C26—H26B | 109.5 |
| H10A—C10—H10B | 109.5 | C24—C26—H26C | 109.5 |
| C9—C10—H10C | 109.5 | H26A—C26—H26C | 109.5 |
| H10A—C10—H10C | 109.5 | H26B—C26—H26C | 109.5 |
| H10B—C10—H10C | 109.5 | N2—Cr1—N1 | 80.59 (8) |
| C9—C11—H11A | 109.5 | N2—Cr1—N3 | 168.26 (8) |
| C9—C11—H11B | 109.5 | N1—Cr1—N3 | 87.72 (8) |
| H11A—C11—H11B | 109.5 | N2—Cr1—N4 | 102.18 (8) |
| C9—C11—H11C | 109.5 | N1—Cr1—N4 | 173.95 (8) |
| H11A—C11—H11C | 109.5 | N3—Cr1—N4 | 89.57 (9) |
| H11B—C11—H11C | 109.5 | N2—Cr1—Cl2 | 93.30 (6) |
| C8—C12—C14 | 111.3 (2) | N1—Cr1—Cl2 | 101.24 (6) |
| C8—C12—C13 | 111.2 (2) | N3—Cr1—Cl2 | 87.90 (6) |
| C14—C12—C13 | 110.5 (2) | N4—Cr1—Cl2 | 84.06 (7) |
| C8—C12—H12A | 107.9 | N2—Cr1—Cl1 | 93.62 (6) |
| C14—C12—H12A | 107.9 | N1—Cr1—Cl1 | 92.03 (6) |
| C13—C12—H12A | 107.9 | N3—Cr1—Cl1 | 87.83 (6) |
| C12—C13—H13A | 109.5 | N4—Cr1—Cl1 | 82.46 (7) |
| C12—C13—H13B | 109.5 | Cl2—Cr1—Cl1 | 165.88 (3) |
| H13A—C13—H13B | 109.5 | C1—N1—C3 | 117.9 (2) |
| C12—C13—H13C | 109.5 | C1—N1—Cr1 | 111.36 (15) |
| H13A—C13—H13C | 109.5 | C3—N1—Cr1 | 130.52 (15) |
| H13B—C13—H13C | 109.5 | C2—N2—C15 | 114.74 (19) |
| C12—C14—H14A | 109.5 | C2—N2—Cr1 | 111.55 (15) |
| C12—C14—H14B | 109.5 | C15—N2—Cr1 | 132.96 (15) |
| H14A—C14—H14B | 109.5 | C27—N3—Cr1 | 163.3 (2) |
| C12—C14—H14C | 109.5 | N3—C27—C28 | 178.6 (3) |
| H14A—C14—H14C | 109.5 | C27—C28—H28A | 109.5 |
| H14B—C14—H14C | 109.5 | C27—C28—H28B | 109.5 |
| C20—C15—C16 | 121.2 (2) | H28A—C28—H28B | 109.5 |
| C20—C15—N2 | 120.1 (2) | C27—C28—H28C | 109.5 |
| C16—C15—N2 | 118.6 (2) | H28A—C28—H28C | 109.5 |
| C17—C16—C15 | 117.8 (2) | H28B—C28—H28C | 109.5 |
| C17—C16—C21 | 119.0 (2) | C29—N4—Cr1 | 168.1 (2) |
| C15—C16—C21 | 123.2 (2) | N4—C29—C30 | 177.9 (3) |
| C18—C17—C16 | 121.6 (3) | C29—C30—H30A | 109.5 |
| C18—C17—H17A | 119.2 | C29—C30—H30B | 109.5 |
| C16—C17—H17A | 119.2 | H30A—C30—H30B | 109.5 |
| C17—C18—C19 | 120.1 (3) | C29—C30—H30C | 109.5 |
| C17—C18—H18A | 120.0 | H30A—C30—H30C | 109.5 |
| C19—C18—H18A | 120.0 | H30B—C30—H30C | 109.5 |