| Literature DB >> 22058698 |
Ahmed Raza Khan1, Yohannes Tesema, Ray J Butcher, Yilma Gultneh.
Abstract
The crystal structure of the title compound, [Ni(2)(C(27)H(24)Br(3)N(4)O(3))(CH(3)CO(2))(CH(3)OH)(H(2)O)]·2CH(3)OH·H(2)O contains [L(OAc){(CH(3)OH)Ni}{(H(2)O)Ni}] mol-ecules {H(3)L = 2-(5-bromo-2-hy-droxy-phen-yl)-1,3-bis-[4-(5-bromo-2-hy-droxy-phen-yl)-3-aza-but-3-en-yl]-1,3-imidazolidine} with additional water and two methanol solvent mol-ecules. In this instance, one of the two Ni atoms is coordinated to a water and the other to a methanol mol-ecule. The Ni-O and Ni-N distances, as well as the angles about the metal atoms, show quite regular octa-hedra around the central ions. The Ni-O(phenol)-Ni and Ni-O(acetate)-Ni angles are not similar [95.26 (13) and 97.34 (13)°, respectively], indicating that this subtle solvate exchange induces significant differences in the conformation adopted. The coordinated methanol ligand is involved in an intra-molecular hydrogen bond to the uncoordinated O atom of the bridging acetate ligand, while the coordinated water mol-ecule forms a hydrogen bond with the one of the methanol solvent mol-ecules. The water solvent mol-ecule forms strong hydrogen bonds to both phenolate O atoms. The remaining methanol solvent mol-ecule also forms a hydrogen bond with this solvent water mol-ecule.Entities:
Year: 2011 PMID: 22058698 PMCID: PMC3201549 DOI: 10.1107/S1600536811035409
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Ni2(C27H24Br3N4O3)(C2H3O2)(CH4O)(H2O)]·2CH4O·H2O | |
| Orthorhombic, | Mo |
| Hall symbol: P 2c -2n | Cell parameters from 7492 reflections |
| θ = 2.3–26.7° | |
| µ = 4.10 mm−1 | |
| Needle, brown | |
| 0.49 × 0.12 × 0.06 mm |
| Bruker SMART 1000 CCD diffractometer | 8737 independent reflections |
| Radiation source: fine-focus sealed tube | 6627 reflections with |
| graphite | |
| φ and ω scans | θmax = 28.3°, θmin = 1.8° |
| Absorption correction: multi-scan ( | |
| 25239 measured reflections |
| Refinement on | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
| H atoms treated by a mixture of independent and constrained refinement | |
| (Δ/σ)max = 0.001 | |
| 8737 reflections | Δρmax = 0.71 e Å−3 |
| 479 parameters | Δρmin = −0.73 e Å−3 |
| 7 restraints | Absolute structure: Flack (1983), 3686 Friedel pairs |
| Primary atom site location: structure-invariant direct methods | Flack parameter: 0.007 (8) |
| 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 |
| Ni1A | 0.91124 (4) | 0.76904 (3) | 0.22387 (4) | 0.02018 (13) | |
| Ni1B | 0.94953 (4) | 0.60931 (3) | 0.27176 (4) | 0.02102 (13) | |
| Br | 0.94521 (4) | 0.74287 (4) | 0.73692 (4) | 0.04501 (16) | |
| Br1A | 1.18571 (4) | 1.09747 (3) | 0.11852 (4) | 0.04143 (15) | |
| Br1B | 1.35626 (4) | 0.37081 (3) | 0.29322 (5) | 0.04296 (16) | |
| O1 | 0.9917 (2) | 0.71201 (17) | 0.3177 (2) | 0.0215 (7) | |
| O1A | 1.0148 (2) | 0.80326 (17) | 0.1449 (2) | 0.0242 (7) | |
| O1B | 1.0661 (2) | 0.58968 (18) | 0.2059 (2) | 0.0270 (8) | |
| O11A | 0.9104 (2) | 0.67067 (18) | 0.1578 (2) | 0.0223 (7) | |
| O2AA | 0.8697 (3) | 0.5877 (2) | 0.0550 (3) | 0.0340 (9) | |
| O1W | 0.8185 (2) | 0.8101 (2) | 0.1226 (3) | 0.0331 (8) | |
| H1W1 | 0.7642 (13) | 0.808 (3) | 0.119 (4) | 0.050* | |
| H1W2 | 0.835 (3) | 0.844 (2) | 0.089 (4) | 0.050* | |
| O2W | 1.1295 (2) | 0.69264 (18) | 0.0972 (2) | 0.0261 (8) | |
| H2W1 | 1.106 (3) | 0.6574 (16) | 0.119 (4) | 0.039* | |
| H2W2 | 1.096 (3) | 0.7270 (17) | 0.113 (4) | 0.039* | |
| O1M | 0.8879 (2) | 0.51575 (18) | 0.2106 (3) | 0.0320 (9) | |
| H1M | 0.8806 | 0.5361 | 0.1585 | 0.038* | |
| O2M | 1.1750 (3) | 0.6277 (2) | −0.0678 (3) | 0.0433 (10) | |
| H2M | 1.1557 | 0.6474 | −0.0185 | 0.052* | |
| O3M | 0.8398 (3) | 0.9221 (3) | −0.0041 (3) | 0.0471 (11) | |
| H3M | 0.7981 | 0.8972 | −0.0278 | 0.057* | |
| N1 | 0.7953 (2) | 0.7411 (2) | 0.3129 (3) | 0.0208 (9) | |
| N2 | 0.8242 (3) | 0.6225 (2) | 0.3479 (3) | 0.0212 (9) | |
| N1A | 0.9061 (2) | 0.8629 (2) | 0.2906 (3) | 0.0227 (9) | |
| N1B | 0.9873 (3) | 0.5495 (2) | 0.3811 (3) | 0.0237 (9) | |
| C1 | 0.9803 (3) | 0.7248 (3) | 0.4090 (3) | 0.0230 (11) | |
| C2 | 1.0506 (3) | 0.7471 (3) | 0.4670 (4) | 0.0336 (13) | |
| H2A | 1.1075 | 0.7582 | 0.4392 | 0.040* | |
| C3 | 1.0418 (4) | 0.7540 (3) | 0.5630 (4) | 0.0380 (14) | |
| H3A | 1.0920 | 0.7689 | 0.6001 | 0.046* | |
| C4 | 0.9591 (4) | 0.7391 (3) | 0.6046 (4) | 0.0309 (12) | |
| C5 | 0.8851 (3) | 0.7210 (3) | 0.5493 (3) | 0.0255 (11) | |
| H5A | 0.8275 | 0.7132 | 0.5775 | 0.031* | |
| C6 | 0.8950 (3) | 0.7144 (3) | 0.4532 (3) | 0.0219 (11) | |
| C7 | 0.8156 (3) | 0.6939 (3) | 0.3951 (3) | 0.0233 (11) | |
| H7A | 0.7608 | 0.6927 | 0.4364 | 0.028* | |
| C8 | 0.7254 (3) | 0.6988 (3) | 0.2607 (3) | 0.0239 (11) | |
| H8A | 0.7336 | 0.7040 | 0.1921 | 0.029* | |
| H8B | 0.6635 | 0.7149 | 0.2777 | 0.029* | |
| C9 | 0.7410 (3) | 0.6207 (3) | 0.2912 (4) | 0.0267 (11) | |
| H9A | 0.6892 | 0.6029 | 0.3288 | 0.032* | |
| H9B | 0.7489 | 0.5891 | 0.2359 | 0.032* | |
| C1A | 0.7612 (4) | 0.8134 (3) | 0.3400 (4) | 0.0293 (12) | |
| H1AA | 0.7203 | 0.8085 | 0.3947 | 0.035* | |
| H1AB | 0.7253 | 0.8337 | 0.2874 | 0.035* | |
| C2A | 0.8367 (4) | 0.8651 (3) | 0.3643 (4) | 0.0286 (12) | |
| H2AA | 0.8123 | 0.9146 | 0.3700 | 0.034* | |
| H2AB | 0.8640 | 0.8515 | 0.4253 | 0.034* | |
| C3A | 0.9487 (3) | 0.9210 (2) | 0.2692 (4) | 0.0243 (10) | |
| H3AA | 0.9335 | 0.9634 | 0.3031 | 0.029* | |
| C4A | 1.0182 (3) | 0.9272 (3) | 0.1972 (3) | 0.0235 (11) | |
| C5A | 1.0590 (3) | 0.9946 (3) | 0.1885 (3) | 0.0276 (12) | |
| H5AA | 1.0396 | 1.0331 | 0.2275 | 0.033* | |
| C6A | 1.1270 (3) | 1.0062 (3) | 0.1243 (4) | 0.0311 (12) | |
| C7A | 1.1550 (4) | 0.9513 (3) | 0.0658 (4) | 0.0302 (12) | |
| H7AA | 1.2014 | 0.9597 | 0.0208 | 0.036* | |
| C8A | 1.1158 (3) | 0.8849 (3) | 0.0731 (4) | 0.0259 (11) | |
| H8AA | 1.1348 | 0.8478 | 0.0315 | 0.031* | |
| C9A | 1.0476 (3) | 0.8692 (3) | 0.1405 (3) | 0.0211 (10) | |
| C1B | 0.8263 (3) | 0.5603 (3) | 0.4150 (3) | 0.0266 (12) | |
| H1BA | 0.8070 | 0.5161 | 0.3816 | 0.032* | |
| H1BB | 0.7823 | 0.5693 | 0.4661 | 0.032* | |
| C2B | 0.9192 (3) | 0.5476 (3) | 0.4575 (3) | 0.0268 (12) | |
| H2BA | 0.9328 | 0.5855 | 0.5044 | 0.032* | |
| H2BB | 0.9208 | 0.5003 | 0.4894 | 0.032* | |
| C3B | 1.0569 (3) | 0.5090 (3) | 0.3867 (4) | 0.0258 (11) | |
| H3BA | 1.0640 | 0.4810 | 0.4421 | 0.031* | |
| C4B | 1.1270 (3) | 0.5023 (3) | 0.3140 (3) | 0.0220 (10) | |
| C5B | 1.1949 (3) | 0.4516 (3) | 0.3329 (4) | 0.0284 (12) | |
| H5BA | 1.1935 | 0.4248 | 0.3897 | 0.034* | |
| C6B | 1.2640 (3) | 0.4404 (2) | 0.2688 (4) | 0.0255 (11) | |
| C7B | 1.2655 (3) | 0.4783 (3) | 0.1860 (4) | 0.0267 (11) | |
| H7BA | 1.3128 | 0.4701 | 0.1420 | 0.032* | |
| C8B | 1.1996 (3) | 0.5278 (3) | 0.1668 (4) | 0.0254 (11) | |
| H8BA | 1.2023 | 0.5538 | 0.1095 | 0.030* | |
| C9B | 1.1275 (3) | 0.5415 (2) | 0.2293 (4) | 0.0221 (10) | |
| C1AA | 0.8968 (3) | 0.6495 (3) | 0.0734 (4) | 0.0246 (11) | |
| C2AA | 0.9144 (4) | 0.7004 (3) | −0.0069 (4) | 0.0354 (14) | |
| H2AC | 0.9538 | 0.6769 | −0.0531 | 0.053* | |
| H2AD | 0.9441 | 0.7440 | 0.0168 | 0.053* | |
| H2AE | 0.8567 | 0.7134 | −0.0366 | 0.053* | |
| C1M | 0.9324 (4) | 0.4483 (3) | 0.1970 (5) | 0.0475 (17) | |
| H1MA | 0.8951 | 0.4175 | 0.1565 | 0.071* | |
| H1MB | 0.9411 | 0.4246 | 0.2578 | 0.071* | |
| H1MC | 0.9915 | 0.4564 | 0.1673 | 0.071* | |
| C2M | 1.1886 (5) | 0.6806 (4) | −0.1371 (5) | 0.067 (2) | |
| H2MA | 1.2129 | 0.6579 | −0.1939 | 0.101* | |
| H2MB | 1.2317 | 0.7167 | −0.1141 | 0.101* | |
| H2MC | 1.1306 | 0.7039 | −0.1517 | 0.101* | |
| C3M | 0.9083 (6) | 0.9318 (7) | −0.0695 (6) | 0.119 (5) | |
| H3M1 | 0.9358 | 0.8851 | −0.0844 | 0.178* | |
| H3M2 | 0.9546 | 0.9640 | −0.0436 | 0.178* | |
| H3M3 | 0.8829 | 0.9531 | −0.1267 | 0.178* |
| Ni1A | 0.0220 (3) | 0.0193 (3) | 0.0192 (3) | 0.0021 (2) | 0.0017 (3) | 0.0004 (3) |
| Ni1B | 0.0247 (3) | 0.0203 (3) | 0.0181 (3) | 0.0015 (2) | 0.0013 (3) | 0.0023 (3) |
| Br | 0.0482 (3) | 0.0678 (4) | 0.0190 (3) | 0.0032 (3) | −0.0009 (3) | −0.0048 (3) |
| Br1A | 0.0510 (4) | 0.0299 (3) | 0.0434 (3) | −0.0129 (3) | −0.0024 (3) | 0.0073 (3) |
| Br1B | 0.0395 (3) | 0.0385 (3) | 0.0509 (4) | 0.0175 (2) | 0.0036 (3) | 0.0121 (3) |
| O1 | 0.0211 (17) | 0.0257 (18) | 0.0178 (17) | 0.0023 (13) | 0.0012 (13) | 0.0022 (14) |
| O1A | 0.0263 (18) | 0.0211 (19) | 0.0253 (19) | 0.0010 (14) | 0.0037 (14) | −0.0027 (15) |
| O1B | 0.0300 (19) | 0.0273 (19) | 0.0239 (19) | 0.0065 (14) | 0.0047 (14) | 0.0101 (15) |
| O11A | 0.0271 (18) | 0.0228 (19) | 0.0169 (17) | 0.0012 (14) | −0.0042 (14) | 0.0006 (14) |
| O2AA | 0.046 (2) | 0.031 (2) | 0.025 (2) | −0.0039 (17) | −0.0010 (17) | −0.0087 (17) |
| O1W | 0.0222 (17) | 0.036 (2) | 0.041 (2) | 0.0025 (17) | −0.0027 (17) | 0.016 (2) |
| O2W | 0.0271 (19) | 0.0209 (19) | 0.030 (2) | 0.0018 (15) | 0.0038 (15) | 0.0039 (16) |
| O1M | 0.038 (2) | 0.026 (2) | 0.032 (2) | −0.0018 (16) | −0.0003 (17) | 0.0011 (17) |
| O2M | 0.065 (3) | 0.034 (2) | 0.032 (2) | 0.007 (2) | 0.003 (2) | −0.0002 (19) |
| O3M | 0.043 (3) | 0.057 (3) | 0.042 (3) | −0.008 (2) | 0.0026 (19) | 0.019 (2) |
| N1 | 0.0168 (19) | 0.025 (2) | 0.021 (2) | 0.0044 (16) | 0.0005 (15) | 0.0000 (18) |
| N2 | 0.026 (2) | 0.020 (2) | 0.018 (2) | −0.0001 (17) | −0.0020 (16) | 0.0008 (17) |
| N1A | 0.0210 (19) | 0.020 (2) | 0.027 (2) | 0.0050 (16) | 0.0055 (19) | 0.0004 (18) |
| N1B | 0.030 (2) | 0.026 (2) | 0.015 (2) | 0.0004 (18) | −0.0009 (17) | 0.0049 (18) |
| C1 | 0.025 (3) | 0.023 (3) | 0.020 (2) | 0.007 (2) | 0.000 (2) | −0.005 (2) |
| C2 | 0.023 (3) | 0.050 (4) | 0.028 (3) | 0.002 (3) | −0.001 (2) | −0.010 (3) |
| C3 | 0.031 (3) | 0.056 (4) | 0.027 (3) | 0.003 (3) | −0.008 (2) | −0.011 (3) |
| C4 | 0.035 (3) | 0.036 (3) | 0.021 (3) | 0.008 (2) | −0.001 (2) | −0.001 (2) |
| C5 | 0.025 (3) | 0.030 (3) | 0.021 (3) | 0.001 (2) | 0.003 (2) | 0.000 (2) |
| C6 | 0.024 (3) | 0.022 (3) | 0.019 (2) | 0.005 (2) | −0.002 (2) | 0.000 (2) |
| C7 | 0.023 (3) | 0.025 (3) | 0.023 (3) | −0.001 (2) | 0.004 (2) | 0.000 (2) |
| C8 | 0.023 (2) | 0.026 (3) | 0.023 (3) | 0.0025 (19) | 0.0003 (19) | 0.001 (2) |
| C9 | 0.024 (2) | 0.029 (3) | 0.027 (3) | −0.006 (2) | −0.001 (2) | 0.003 (2) |
| C1A | 0.032 (3) | 0.030 (3) | 0.026 (3) | 0.003 (2) | 0.003 (2) | 0.001 (2) |
| C2A | 0.036 (3) | 0.023 (3) | 0.027 (3) | 0.006 (2) | 0.014 (2) | −0.002 (2) |
| C3A | 0.029 (2) | 0.017 (2) | 0.027 (3) | 0.002 (2) | −0.001 (2) | −0.006 (2) |
| C4A | 0.026 (2) | 0.021 (3) | 0.024 (3) | −0.001 (2) | −0.002 (2) | 0.005 (2) |
| C5A | 0.029 (3) | 0.029 (3) | 0.025 (3) | 0.002 (2) | −0.002 (2) | −0.001 (2) |
| C6A | 0.031 (3) | 0.029 (3) | 0.034 (3) | −0.003 (2) | −0.004 (2) | 0.007 (3) |
| C7A | 0.032 (3) | 0.031 (3) | 0.028 (3) | 0.002 (2) | 0.004 (2) | 0.010 (2) |
| C8A | 0.029 (3) | 0.025 (3) | 0.025 (3) | 0.004 (2) | 0.002 (2) | 0.005 (2) |
| C9A | 0.021 (2) | 0.022 (3) | 0.021 (2) | 0.0049 (19) | −0.0039 (19) | 0.003 (2) |
| C1B | 0.030 (3) | 0.028 (3) | 0.021 (3) | 0.002 (2) | 0.009 (2) | 0.008 (2) |
| C2B | 0.031 (3) | 0.027 (3) | 0.022 (3) | 0.003 (2) | 0.010 (2) | 0.008 (2) |
| C3B | 0.029 (3) | 0.024 (3) | 0.024 (3) | 0.002 (2) | −0.003 (2) | 0.009 (2) |
| C4B | 0.022 (2) | 0.022 (3) | 0.021 (3) | −0.0018 (19) | −0.0024 (19) | 0.007 (2) |
| C5B | 0.032 (3) | 0.021 (3) | 0.032 (3) | −0.001 (2) | −0.002 (2) | 0.005 (2) |
| C6B | 0.027 (3) | 0.019 (2) | 0.031 (3) | 0.0052 (19) | −0.001 (2) | 0.004 (2) |
| C7B | 0.027 (3) | 0.024 (3) | 0.029 (3) | 0.006 (2) | 0.007 (2) | −0.004 (2) |
| C8B | 0.029 (3) | 0.023 (3) | 0.024 (3) | 0.002 (2) | 0.003 (2) | 0.004 (2) |
| C9B | 0.028 (2) | 0.018 (2) | 0.021 (2) | 0.0002 (19) | 0.000 (2) | 0.000 (2) |
| C1AA | 0.023 (3) | 0.028 (3) | 0.022 (3) | 0.004 (2) | 0.000 (2) | −0.001 (2) |
| C2AA | 0.040 (3) | 0.043 (4) | 0.023 (3) | −0.005 (3) | −0.005 (2) | 0.006 (3) |
| C1M | 0.049 (4) | 0.029 (3) | 0.064 (5) | −0.001 (3) | −0.007 (3) | −0.009 (3) |
| C2M | 0.082 (6) | 0.065 (5) | 0.055 (5) | −0.010 (4) | −0.001 (4) | 0.014 (4) |
| C3M | 0.048 (5) | 0.231 (13) | 0.077 (7) | 0.013 (7) | 0.019 (4) | 0.088 (8) |
| Ni1A—N1A | 1.986 (4) | C7—H7A | 1.0000 |
| Ni1A—O1A | 2.000 (3) | C8—C9 | 1.529 (7) |
| Ni1A—O11A | 2.053 (3) | C8—H8A | 0.9900 |
| Ni1A—O1 | 2.077 (3) | C8—H8B | 0.9900 |
| Ni1A—O1W | 2.129 (3) | C9—H9A | 0.9900 |
| Ni1A—N1 | 2.190 (4) | C9—H9B | 0.9900 |
| Ni1A—Ni1B | 3.0927 (9) | C1A—C2A | 1.510 (7) |
| Ni1B—O1B | 1.991 (3) | C1A—H1AA | 0.9900 |
| Ni1B—N1B | 1.992 (4) | C1A—H1AB | 0.9900 |
| Ni1B—O11A | 2.065 (3) | C2A—H2AA | 0.9900 |
| Ni1B—O1 | 2.109 (3) | C2A—H2AB | 0.9900 |
| Ni1B—O1M | 2.144 (3) | C3A—C4A | 1.455 (7) |
| Ni1B—N2 | 2.157 (4) | C3A—H3AA | 0.9500 |
| Br—C4 | 1.898 (5) | C4A—C5A | 1.392 (7) |
| Br1A—C6A | 1.904 (5) | C4A—C9A | 1.413 (7) |
| Br1B—C6B | 1.907 (5) | C5A—C6A | 1.373 (7) |
| O1—C1 | 1.333 (5) | C5A—H5AA | 0.9500 |
| O1A—C9A | 1.317 (6) | C6A—C7A | 1.378 (8) |
| O1B—C9B | 1.315 (5) | C7A—C8A | 1.365 (7) |
| O11A—C1AA | 1.282 (6) | C7A—H7AA | 0.9500 |
| O2AA—C1AA | 1.243 (6) | C8A—C9A | 1.421 (7) |
| O1W—H1W1 | 0.802 (19) | C8A—H8AA | 0.9500 |
| O1W—H1W2 | 0.823 (19) | C1B—C2B | 1.515 (7) |
| O2W—H2W1 | 0.803 (19) | C1B—H1BA | 0.9900 |
| O2W—H2W2 | 0.832 (19) | C1B—H1BB | 0.9900 |
| O1M—C1M | 1.426 (6) | C2B—H2BA | 0.9900 |
| O1M—H1M | 0.8400 | C2B—H2BB | 0.9900 |
| O2M—C2M | 1.406 (8) | C3B—C4B | 1.469 (7) |
| O2M—H2M | 0.8400 | C3B—H3BA | 0.9500 |
| O3M—C3M | 1.385 (8) | C4B—C5B | 1.400 (7) |
| O3M—H3M | 0.8400 | C4B—C9B | 1.409 (6) |
| N1—C1A | 1.485 (6) | C5B—C6B | 1.383 (7) |
| N1—C7 | 1.493 (6) | C5B—H5BA | 0.9500 |
| N1—C8 | 1.493 (6) | C6B—C7B | 1.374 (7) |
| N2—C9 | 1.469 (6) | C7B—C8B | 1.365 (7) |
| N2—C7 | 1.490 (6) | C7B—H7BA | 0.9500 |
| N2—C1B | 1.499 (6) | C8B—C9B | 1.409 (7) |
| N1A—C3A | 1.284 (6) | C8B—H8BA | 0.9500 |
| N1A—C2A | 1.466 (6) | C1AA—C2AA | 1.505 (7) |
| N1B—C3B | 1.274 (6) | C2AA—H2AC | 0.9800 |
| N1B—C2B | 1.481 (6) | C2AA—H2AD | 0.9800 |
| C1—C2 | 1.388 (7) | C2AA—H2AE | 0.9800 |
| C1—C6 | 1.419 (7) | C1M—H1MA | 0.9800 |
| C2—C3 | 1.380 (7) | C1M—H1MB | 0.9800 |
| C2—H2A | 0.9500 | C1M—H1MC | 0.9800 |
| C3—C4 | 1.383 (8) | C2M—H2MA | 0.9800 |
| C3—H3A | 0.9500 | C2M—H2MB | 0.9800 |
| C4—C5 | 1.387 (7) | C2M—H2MC | 0.9800 |
| C5—C6 | 1.383 (7) | C3M—H3M1 | 0.9800 |
| C5—H5A | 0.9500 | C3M—H3M2 | 0.9800 |
| C6—C7 | 1.484 (7) | C3M—H3M3 | 0.9800 |
| N1A—Ni1A—O1A | 91.15 (14) | C9—C8—H8A | 110.8 |
| N1A—Ni1A—O11A | 177.16 (14) | N1—C8—H8B | 110.8 |
| O1A—Ni1A—O11A | 91.63 (13) | C9—C8—H8B | 110.8 |
| N1A—Ni1A—O1 | 99.20 (15) | H8A—C8—H8B | 108.9 |
| O1A—Ni1A—O1 | 95.07 (13) | N2—C9—C8 | 105.1 (4) |
| O11A—Ni1A—O1 | 81.13 (13) | N2—C9—H9A | 110.7 |
| N1A—Ni1A—O1W | 89.21 (16) | C8—C9—H9A | 110.7 |
| O1A—Ni1A—O1W | 89.69 (14) | N2—C9—H9B | 110.7 |
| O11A—Ni1A—O1W | 90.22 (14) | C8—C9—H9B | 110.7 |
| O1—Ni1A—O1W | 170.23 (14) | H9A—C9—H9B | 108.8 |
| N1A—Ni1A—N1 | 84.31 (15) | N1—C1A—C2A | 112.6 (4) |
| O1A—Ni1A—N1 | 175.19 (14) | N1—C1A—H1AA | 109.1 |
| O11A—Ni1A—N1 | 92.89 (14) | C2A—C1A—H1AA | 109.1 |
| O1—Ni1A—N1 | 87.26 (13) | N1—C1A—H1AB | 109.1 |
| O1W—Ni1A—N1 | 88.65 (14) | C2A—C1A—H1AB | 109.1 |
| N1A—Ni1A—Ni1B | 137.86 (12) | H1AA—C1A—H1AB | 107.8 |
| O1A—Ni1A—Ni1B | 106.81 (9) | N1A—C2A—C1A | 109.4 (4) |
| O11A—Ni1A—Ni1B | 41.47 (9) | N1A—C2A—H2AA | 109.8 |
| O1—Ni1A—Ni1B | 42.76 (9) | C1A—C2A—H2AA | 109.8 |
| O1W—Ni1A—Ni1B | 127.59 (11) | N1A—C2A—H2AB | 109.8 |
| N1—Ni1A—Ni1B | 77.74 (10) | C1A—C2A—H2AB | 109.8 |
| O1B—Ni1B—N1B | 91.46 (15) | H2AA—C2A—H2AB | 108.2 |
| O1B—Ni1B—O11A | 88.35 (13) | N1A—C3A—C4A | 125.3 (4) |
| N1B—Ni1B—O11A | 179.59 (16) | N1A—C3A—H3AA | 117.3 |
| O1B—Ni1B—O1 | 93.27 (14) | C4A—C3A—H3AA | 117.3 |
| N1B—Ni1B—O1 | 100.24 (15) | C5A—C4A—C9A | 120.0 (4) |
| O11A—Ni1B—O1 | 80.13 (13) | C5A—C4A—C3A | 116.0 (4) |
| O1B—Ni1B—O1M | 91.50 (14) | C9A—C4A—C3A | 123.9 (4) |
| N1B—Ni1B—O1M | 89.16 (16) | C6A—C5A—C4A | 121.0 (5) |
| O11A—Ni1B—O1M | 90.49 (13) | C6A—C5A—H5AA | 119.5 |
| O1—Ni1B—O1M | 169.33 (13) | C4A—C5A—H5AA | 119.5 |
| O1B—Ni1B—N2 | 175.60 (14) | C5A—C6A—C7A | 120.4 (5) |
| N1B—Ni1B—N2 | 84.77 (16) | C5A—C6A—Br1A | 120.0 (4) |
| O11A—Ni1B—N2 | 95.40 (14) | C7A—C6A—Br1A | 119.6 (4) |
| O1—Ni1B—N2 | 89.65 (13) | C8A—C7A—C6A | 119.6 (5) |
| O1M—Ni1B—N2 | 86.18 (14) | C8A—C7A—H7AA | 120.2 |
| O1B—Ni1B—Ni1A | 103.23 (10) | C6A—C7A—H7AA | 120.2 |
| N1B—Ni1B—Ni1A | 139.22 (12) | C7A—C8A—C9A | 122.4 (5) |
| O11A—Ni1B—Ni1A | 41.19 (9) | C7A—C8A—H8AA | 118.8 |
| O1—Ni1B—Ni1A | 41.98 (8) | C9A—C8A—H8AA | 118.8 |
| O1M—Ni1B—Ni1A | 127.49 (10) | O1A—C9A—C4A | 124.6 (4) |
| N2—Ni1B—Ni1A | 81.14 (11) | O1A—C9A—C8A | 118.8 (4) |
| C1—O1—Ni1A | 117.8 (3) | C4A—C9A—C8A | 116.6 (4) |
| C1—O1—Ni1B | 115.3 (3) | N2—C1B—C2B | 113.2 (4) |
| Ni1A—O1—Ni1B | 95.26 (13) | N2—C1B—H1BA | 108.9 |
| C9A—O1A—Ni1A | 127.0 (3) | C2B—C1B—H1BA | 108.9 |
| C9B—O1B—Ni1B | 126.8 (3) | N2—C1B—H1BB | 108.9 |
| C1AA—O11A—Ni1A | 134.7 (3) | C2B—C1B—H1BB | 108.9 |
| C1AA—O11A—Ni1B | 127.8 (3) | H1BA—C1B—H1BB | 107.8 |
| Ni1A—O11A—Ni1B | 97.34 (13) | N1B—C2B—C1B | 108.3 (4) |
| Ni1A—O1W—H1W1 | 132 (4) | N1B—C2B—H2BA | 110.0 |
| Ni1A—O1W—H1W2 | 119 (4) | C1B—C2B—H2BA | 110.0 |
| H1W1—O1W—H1W2 | 107 (3) | N1B—C2B—H2BB | 110.0 |
| H2W1—O2W—H2W2 | 105 (3) | C1B—C2B—H2BB | 110.0 |
| C1M—O1M—Ni1B | 124.8 (3) | H2BA—C2B—H2BB | 108.4 |
| C1M—O1M—H1M | 109.5 | N1B—C3B—C4B | 124.9 (5) |
| Ni1B—O1M—H1M | 92.8 | N1B—C3B—H3BA | 117.6 |
| C2M—O2M—H2M | 109.5 | C4B—C3B—H3BA | 117.6 |
| C3M—O3M—H3M | 109.5 | C5B—C4B—C9B | 120.5 (4) |
| C1A—N1—C7 | 113.2 (4) | C5B—C4B—C3B | 115.0 (4) |
| C1A—N1—C8 | 111.8 (4) | C9B—C4B—C3B | 124.4 (4) |
| C7—N1—C8 | 102.7 (4) | C6B—C5B—C4B | 120.0 (5) |
| C1A—N1—Ni1A | 101.6 (3) | C6B—C5B—H5BA | 120.0 |
| C7—N1—Ni1A | 115.9 (3) | C4B—C5B—H5BA | 120.0 |
| C8—N1—Ni1A | 112.0 (3) | C7B—C6B—C5B | 120.1 (4) |
| C9—N2—C7 | 101.4 (4) | C7B—C6B—Br1B | 119.4 (4) |
| C9—N2—C1B | 110.6 (4) | C5B—C6B—Br1B | 120.4 (4) |
| C7—N2—C1B | 113.5 (4) | C8B—C7B—C6B | 120.3 (5) |
| C9—N2—Ni1B | 115.8 (3) | C8B—C7B—H7BA | 119.8 |
| C7—N2—Ni1B | 113.6 (3) | C6B—C7B—H7BA | 119.8 |
| C1B—N2—Ni1B | 102.4 (3) | C7B—C8B—C9B | 122.1 (5) |
| C3A—N1A—C2A | 119.2 (4) | C7B—C8B—H8BA | 119.0 |
| C3A—N1A—Ni1A | 127.1 (3) | C9B—C8B—H8BA | 119.0 |
| C2A—N1A—Ni1A | 113.2 (3) | O1B—C9B—C4B | 124.3 (4) |
| C3B—N1B—C2B | 119.1 (4) | O1B—C9B—C8B | 118.8 (4) |
| C3B—N1B—Ni1B | 127.1 (3) | C4B—C9B—C8B | 116.9 (4) |
| C2B—N1B—Ni1B | 113.5 (3) | O2AA—C1AA—O11A | 122.1 (5) |
| O1—C1—C2 | 122.7 (5) | O2AA—C1AA—C2AA | 118.3 (5) |
| O1—C1—C6 | 121.4 (4) | O11A—C1AA—C2AA | 119.6 (5) |
| C2—C1—C6 | 115.9 (5) | C1AA—C2AA—H2AC | 109.5 |
| C3—C2—C1 | 123.2 (5) | C1AA—C2AA—H2AD | 109.5 |
| C3—C2—H2A | 118.4 | H2AC—C2AA—H2AD | 109.5 |
| C1—C2—H2A | 118.4 | C1AA—C2AA—H2AE | 109.5 |
| C2—C3—C4 | 119.3 (5) | H2AC—C2AA—H2AE | 109.5 |
| C2—C3—H3A | 120.4 | H2AD—C2AA—H2AE | 109.5 |
| C4—C3—H3A | 120.4 | O1M—C1M—H1MA | 109.5 |
| C3—C4—C5 | 119.9 (5) | O1M—C1M—H1MB | 109.5 |
| C3—C4—Br | 120.9 (4) | H1MA—C1M—H1MB | 109.5 |
| C5—C4—Br | 119.2 (4) | O1M—C1M—H1MC | 109.5 |
| C6—C5—C4 | 120.0 (5) | H1MA—C1M—H1MC | 109.5 |
| C6—C5—H5A | 120.0 | H1MB—C1M—H1MC | 109.5 |
| C4—C5—H5A | 120.0 | O2M—C2M—H2MA | 109.5 |
| C5—C6—C1 | 121.4 (5) | O2M—C2M—H2MB | 109.5 |
| C5—C6—C7 | 119.5 (4) | H2MA—C2M—H2MB | 109.5 |
| C1—C6—C7 | 119.1 (4) | O2M—C2M—H2MC | 109.5 |
| C6—C7—N2 | 114.4 (4) | H2MA—C2M—H2MC | 109.5 |
| C6—C7—N1 | 116.5 (4) | H2MB—C2M—H2MC | 109.5 |
| N2—C7—N1 | 100.6 (4) | O3M—C3M—H3M1 | 109.5 |
| C6—C7—H7A | 108.3 | O3M—C3M—H3M2 | 109.5 |
| N2—C7—H7A | 108.3 | H3M1—C3M—H3M2 | 109.5 |
| N1—C7—H7A | 108.3 | O3M—C3M—H3M3 | 109.5 |
| N1—C8—C9 | 104.6 (4) | H3M1—C3M—H3M3 | 109.5 |
| N1—C8—H8A | 110.8 | H3M2—C3M—H3M3 | 109.5 |
| N1A—Ni1A—Ni1B—O1B | −112.42 (19) | O1M—Ni1B—N2—C1B | 69.5 (3) |
| O1A—Ni1A—Ni1B—O1B | −1.01 (14) | Ni1A—Ni1B—N2—C1B | −161.6 (3) |
| O11A—Ni1A—Ni1B—O1B | 71.72 (18) | O1A—Ni1A—N1A—C3A | 9.8 (4) |
| O1—Ni1A—Ni1B—O1B | −80.01 (16) | O1—Ni1A—N1A—C3A | 105.1 (4) |
| O1W—Ni1A—Ni1B—O1B | 102.02 (17) | O1W—Ni1A—N1A—C3A | −79.9 (4) |
| N1—Ni1A—Ni1B—O1B | −179.38 (15) | N1—Ni1A—N1A—C3A | −168.6 (4) |
| N1A—Ni1A—Ni1B—N1B | −4.2 (2) | Ni1B—Ni1A—N1A—C3A | 126.8 (4) |
| O1A—Ni1A—Ni1B—N1B | 107.2 (2) | O1A—Ni1A—N1A—C2A | −178.3 (3) |
| O11A—Ni1A—Ni1B—N1B | 179.9 (2) | O1—Ni1A—N1A—C2A | −82.9 (3) |
| O1—Ni1A—Ni1B—N1B | 28.2 (2) | O1W—Ni1A—N1A—C2A | 92.1 (3) |
| O1W—Ni1A—Ni1B—N1B | −149.8 (2) | N1—Ni1A—N1A—C2A | 3.3 (3) |
| N1—Ni1A—Ni1B—N1B | −71.2 (2) | Ni1B—Ni1A—N1A—C2A | −61.3 (4) |
| N1A—Ni1A—Ni1B—O11A | 175.9 (2) | O1B—Ni1B—N1B—C3B | −8.8 (5) |
| O1A—Ni1A—Ni1B—O11A | −72.73 (17) | O1—Ni1B—N1B—C3B | −102.4 (4) |
| O1—Ni1A—Ni1B—O11A | −151.73 (19) | O1M—Ni1B—N1B—C3B | 82.7 (5) |
| O1W—Ni1A—Ni1B—O11A | 30.3 (2) | N2—Ni1B—N1B—C3B | 168.9 (5) |
| N1—Ni1A—Ni1B—O11A | 108.89 (18) | Ni1A—Ni1B—N1B—C3B | −121.1 (4) |
| N1A—Ni1A—Ni1B—O1 | −32.4 (2) | O1B—Ni1B—N1B—C2B | 178.6 (3) |
| O1A—Ni1A—Ni1B—O1 | 79.00 (16) | O1—Ni1B—N1B—C2B | 85.0 (3) |
| O11A—Ni1A—Ni1B—O1 | 151.73 (19) | O1M—Ni1B—N1B—C2B | −89.9 (3) |
| O1W—Ni1A—Ni1B—O1 | −177.97 (19) | N2—Ni1B—N1B—C2B | −3.7 (3) |
| N1—Ni1A—Ni1B—O1 | −99.37 (16) | Ni1A—Ni1B—N1B—C2B | 66.3 (4) |
| N1A—Ni1A—Ni1B—O1M | 145.2 (2) | Ni1A—O1—C1—C2 | −123.0 (5) |
| O1A—Ni1A—Ni1B—O1M | −103.37 (16) | Ni1B—O1—C1—C2 | 125.7 (5) |
| O11A—Ni1A—Ni1B—O1M | −30.64 (18) | Ni1A—O1—C1—C6 | 58.6 (5) |
| O1—Ni1A—Ni1B—O1M | 177.62 (18) | Ni1B—O1—C1—C6 | −52.7 (5) |
| O1W—Ni1A—Ni1B—O1M | −0.34 (18) | O1—C1—C2—C3 | −173.7 (5) |
| N1—Ni1A—Ni1B—O1M | 78.25 (16) | C6—C1—C2—C3 | 4.7 (8) |
| N1A—Ni1A—Ni1B—N2 | 67.03 (19) | C1—C2—C3—C4 | −0.9 (9) |
| O1A—Ni1A—Ni1B—N2 | 178.43 (15) | C2—C3—C4—C5 | −3.3 (9) |
| O11A—Ni1A—Ni1B—N2 | −108.83 (18) | C2—C3—C4—Br | 176.7 (5) |
| O1—Ni1A—Ni1B—N2 | 99.43 (16) | C3—C4—C5—C6 | 3.2 (8) |
| O1W—Ni1A—Ni1B—N2 | −78.53 (17) | Br—C4—C5—C6 | −176.7 (4) |
| N1—Ni1A—Ni1B—N2 | 0.06 (15) | C4—C5—C6—C1 | 0.9 (8) |
| N1A—Ni1A—O1—C1 | 36.4 (3) | C4—C5—C6—C7 | 179.0 (5) |
| O1A—Ni1A—O1—C1 | 128.4 (3) | O1—C1—C6—C5 | 173.8 (5) |
| O11A—Ni1A—O1—C1 | −140.7 (3) | C2—C1—C6—C5 | −4.7 (7) |
| N1—Ni1A—O1—C1 | −47.3 (3) | O1—C1—C6—C7 | −4.4 (7) |
| Ni1B—Ni1A—O1—C1 | −122.2 (4) | C2—C1—C6—C7 | 177.1 (5) |
| N1A—Ni1A—O1—Ni1B | 158.64 (13) | C5—C6—C7—N2 | −114.7 (5) |
| O1A—Ni1A—O1—Ni1B | −109.37 (13) | C1—C6—C7—N2 | 63.5 (6) |
| O11A—Ni1A—O1—Ni1B | −18.51 (12) | C5—C6—C7—N1 | 128.4 (5) |
| N1—Ni1A—O1—Ni1B | 74.85 (14) | C1—C6—C7—N1 | −53.3 (6) |
| O1B—Ni1B—O1—C1 | −129.7 (3) | C9—N2—C7—C6 | −175.4 (4) |
| N1B—Ni1B—O1—C1 | −37.6 (3) | C1B—N2—C7—C6 | 66.0 (5) |
| O11A—Ni1B—O1—C1 | 142.6 (3) | Ni1B—N2—C7—C6 | −50.5 (5) |
| O1M—Ni1B—O1—C1 | 113.9 (7) | C9—N2—C7—N1 | −49.7 (4) |
| N2—Ni1B—O1—C1 | 47.0 (3) | C1B—N2—C7—N1 | −168.4 (4) |
| Ni1A—Ni1B—O1—C1 | 124.1 (3) | Ni1B—N2—C7—N1 | 75.2 (3) |
| O1B—Ni1B—O1—Ni1A | 106.20 (13) | C1A—N1—C7—C6 | −69.7 (5) |
| N1B—Ni1B—O1—Ni1A | −161.72 (14) | C8—N1—C7—C6 | 169.6 (4) |
| O11A—Ni1B—O1—Ni1A | 18.45 (12) | Ni1A—N1—C7—C6 | 47.1 (5) |
| O1M—Ni1B—O1—Ni1A | −10.2 (8) | C1A—N1—C7—N2 | 166.1 (4) |
| N2—Ni1B—O1—Ni1A | −77.09 (14) | C8—N1—C7—N2 | 45.4 (4) |
| N1A—Ni1A—O1A—C9A | −8.3 (4) | Ni1A—N1—C7—N2 | −77.1 (4) |
| O11A—Ni1A—O1A—C9A | 171.1 (4) | C1A—N1—C8—C9 | −145.4 (4) |
| O1—Ni1A—O1A—C9A | −107.6 (4) | C7—N1—C8—C9 | −23.7 (4) |
| O1W—Ni1A—O1A—C9A | 80.9 (4) | Ni1A—N1—C8—C9 | 101.4 (4) |
| Ni1B—Ni1A—O1A—C9A | −149.6 (3) | C7—N2—C9—C8 | 34.7 (5) |
| N1B—Ni1B—O1B—C9B | 11.5 (4) | C1B—N2—C9—C8 | 155.4 (4) |
| O11A—Ni1B—O1B—C9B | −168.1 (4) | Ni1B—N2—C9—C8 | −88.7 (4) |
| O1—Ni1B—O1B—C9B | 111.9 (4) | N1—C8—C9—N2 | −6.9 (5) |
| O1M—Ni1B—O1B—C9B | −77.7 (4) | C7—N1—C1A—C2A | 82.8 (5) |
| Ni1A—Ni1B—O1B—C9B | 153.2 (4) | C8—N1—C1A—C2A | −161.8 (4) |
| O1A—Ni1A—O11A—C1AA | −62.1 (4) | Ni1A—N1—C1A—C2A | −42.2 (4) |
| O1—Ni1A—O11A—C1AA | −157.0 (4) | C3A—N1A—C2A—C1A | 145.2 (5) |
| O1W—Ni1A—O11A—C1AA | 27.6 (4) | Ni1A—N1A—C2A—C1A | −27.4 (5) |
| N1—Ni1A—O11A—C1AA | 116.2 (4) | N1—C1A—C2A—N1A | 48.7 (6) |
| Ni1B—Ni1A—O11A—C1AA | −176.0 (5) | C2A—N1A—C3A—C4A | −179.3 (5) |
| O1A—Ni1A—O11A—Ni1B | 113.87 (14) | Ni1A—N1A—C3A—C4A | −7.8 (7) |
| O1—Ni1A—O11A—Ni1B | 18.99 (13) | N1A—C3A—C4A—C5A | −176.9 (5) |
| O1W—Ni1A—O11A—Ni1B | −156.43 (15) | N1A—C3A—C4A—C9A | 0.5 (8) |
| N1—Ni1A—O11A—Ni1B | −67.78 (15) | C9A—C4A—C5A—C6A | 1.0 (7) |
| O1B—Ni1B—O11A—C1AA | 64.0 (4) | C3A—C4A—C5A—C6A | 178.5 (5) |
| O1—Ni1B—O11A—C1AA | 157.6 (4) | C4A—C5A—C6A—C7A | 1.1 (8) |
| O1M—Ni1B—O11A—C1AA | −27.4 (4) | C4A—C5A—C6A—Br1A | −176.8 (4) |
| N2—Ni1B—O11A—C1AA | −113.7 (4) | C5A—C6A—C7A—C8A | −1.0 (8) |
| Ni1A—Ni1B—O11A—C1AA | 176.4 (5) | Br1A—C6A—C7A—C8A | 176.9 (4) |
| O1B—Ni1B—O11A—Ni1A | −112.37 (15) | C6A—C7A—C8A—C9A | −1.3 (8) |
| O1—Ni1B—O11A—Ni1A | −18.76 (13) | Ni1A—O1A—C9A—C4A | 4.7 (7) |
| O1M—Ni1B—O11A—Ni1A | 156.15 (14) | Ni1A—O1A—C9A—C8A | −173.8 (3) |
| N2—Ni1B—O11A—Ni1A | 69.94 (15) | C5A—C4A—C9A—O1A | 178.4 (4) |
| O1B—Ni1B—O1M—C1M | 39.2 (4) | C3A—C4A—C9A—O1A | 1.1 (8) |
| N1B—Ni1B—O1M—C1M | −52.3 (4) | C5A—C4A—C9A—C8A | −3.1 (7) |
| O11A—Ni1B—O1M—C1M | 127.5 (4) | C3A—C4A—C9A—C8A | 179.6 (5) |
| O1—Ni1B—O1M—C1M | 155.8 (6) | C7A—C8A—C9A—O1A | −178.1 (5) |
| N2—Ni1B—O1M—C1M | −137.1 (4) | C7A—C8A—C9A—C4A | 3.3 (7) |
| Ni1A—Ni1B—O1M—C1M | 147.2 (4) | C9—N2—C1B—C2B | 165.2 (4) |
| N1A—Ni1A—N1—C1A | 20.9 (3) | C7—N2—C1B—C2B | −81.6 (5) |
| O11A—Ni1A—N1—C1A | −158.6 (3) | Ni1B—N2—C1B—C2B | 41.2 (4) |
| O1—Ni1A—N1—C1A | 120.5 (3) | C3B—N1B—C2B—C1B | −146.4 (5) |
| O1W—Ni1A—N1—C1A | −68.4 (3) | Ni1B—N1B—C2B—C1B | 26.8 (5) |
| Ni1B—Ni1A—N1—C1A | 162.6 (3) | N2—C1B—C2B—N1B | −46.9 (6) |
| N1A—Ni1A—N1—C7 | −102.2 (3) | C2B—N1B—C3B—C4B | 176.4 (5) |
| O11A—Ni1A—N1—C7 | 78.3 (3) | Ni1B—N1B—C3B—C4B | 4.2 (8) |
| O1—Ni1A—N1—C7 | −2.7 (3) | N1B—C3B—C4B—C5B | −176.6 (5) |
| O1W—Ni1A—N1—C7 | 168.4 (3) | N1B—C3B—C4B—C9B | 1.8 (8) |
| Ni1B—Ni1A—N1—C7 | 39.4 (3) | C9B—C4B—C5B—C6B | 1.1 (7) |
| N1A—Ni1A—N1—C8 | 140.3 (3) | C3B—C4B—C5B—C6B | 179.5 (5) |
| O11A—Ni1A—N1—C8 | −39.2 (3) | C4B—C5B—C6B—C7B | −0.9 (8) |
| O1—Ni1A—N1—C8 | −120.1 (3) | C4B—C5B—C6B—Br1B | −179.4 (4) |
| O1W—Ni1A—N1—C8 | 51.0 (3) | C5B—C6B—C7B—C8B | 0.7 (8) |
| Ni1B—Ni1A—N1—C8 | −78.0 (3) | Br1B—C6B—C7B—C8B | 179.3 (4) |
| N1B—Ni1B—N2—C9 | −140.4 (3) | C6B—C7B—C8B—C9B | −0.7 (8) |
| O11A—Ni1B—N2—C9 | 39.2 (3) | Ni1B—O1B—C9B—C4B | −9.8 (7) |
| O1—Ni1B—N2—C9 | 119.3 (3) | Ni1B—O1B—C9B—C8B | 170.7 (3) |
| O1M—Ni1B—N2—C9 | −50.9 (3) | C5B—C4B—C9B—O1B | 179.5 (5) |
| Ni1A—Ni1B—N2—C9 | 78.0 (3) | C3B—C4B—C9B—O1B | 1.2 (7) |
| N1B—Ni1B—N2—C7 | 102.8 (3) | C5B—C4B—C9B—C8B | −1.0 (7) |
| O11A—Ni1B—N2—C7 | −77.5 (3) | C3B—C4B—C9B—C8B | −179.3 (5) |
| O1—Ni1B—N2—C7 | 2.5 (3) | C7B—C8B—C9B—O1B | −179.6 (5) |
| O1M—Ni1B—N2—C7 | −167.7 (3) | C7B—C8B—C9B—C4B | 0.8 (7) |
| Ni1A—Ni1B—N2—C7 | −38.8 (3) | Ni1A—O11A—C1AA—O2AA | −154.8 (4) |
| N1B—Ni1B—N2—C1B | −20.0 (3) | Ni1B—O11A—C1AA—O2AA | 30.2 (7) |
| O11A—Ni1B—N2—C1B | 159.6 (3) | Ni1A—O11A—C1AA—C2AA | 25.4 (7) |
| O1—Ni1B—N2—C1B | −120.3 (3) | Ni1B—O11A—C1AA—C2AA | −149.6 (4) |
| H··· | ||||
| O1W—H1W1···O2Wi | 0.80 (2) | 2.01 (2) | 2.810 (5) | 174 (5) |
| O1W—H1W2···O3M | 0.82 (2) | 1.97 (3) | 2.770 (5) | 164 (5) |
| O2W—H2W1···O1B | 0.80 (2) | 1.86 (3) | 2.631 (5) | 160 (6) |
| O2W—H2W2···O1A | 0.83 (2) | 1.91 (2) | 2.744 (5) | 177 (6) |
| O1M—H1M···O2AA | 0.84 | 1.77 | 2.602 (5) | 174. |
| O2M—H2M···O2W | 0.84 | 1.89 | 2.725 (5) | 172. |
| O3M—H3M···O2Mi | 0.84 | 1.96 | 2.753 (6) | 158. |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| O1 | 0.80 (2) | 2.01 (2) | 2.810 (5) | 174 (5) |
| O1 | 0.82 (2) | 1.97 (3) | 2.770 (5) | 164 (5) |
| O2 | 0.80 (2) | 1.86 (3) | 2.631 (5) | 160 (6) |
| O2 | 0.83 (2) | 1.91 (2) | 2.744 (5) | 177 (6) |
| O1 | 0.84 | 1.77 | 2.602 (5) | 174 |
| O2 | 0.84 | 1.89 | 2.725 (5) | 172 |
| O3 | 0.84 | 1.96 | 2.753 (6) | 158 |
Symmetry code: (i) .