| Literature DB >> 23633999 |
Illan Morales-Becerril1, Marcos Flores-Alamo, Juventino J Garcia.
Abstract
In the crystal of the title compound, [Ni(CO3)(C14H32P2)], the metal center in each of three independent mol-ecules shows slight tetra-hedral distortion from ideal square-planar coordination geometry, with angles between the normals to the planes defined by the cis-P-Ni-P and cis-O-Ni-O fragments of 3.92 (17), 0.70 (16) and 2.17 (14)° in the three mol-ecules. In the crystal, there are inter-molecular C-H⋯O hydrogen bonds that show a laminar growth in the ab plane.Entities:
Year: 2013 PMID: 23633999 PMCID: PMC3629481 DOI: 10.1107/S1600536813006521
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Ni(CO3)(C14H32P2)] | |
| Monoclinic, | Mo |
| Cell parameters from 6343 reflections | |
| θ = 3.4–29.5° | |
| µ = 1.20 mm−1 | |
| β = 103.618 (4)° | |
| Needle, pale yellow | |
| 0.33 × 0.06 × 0.03 mm |
| Oxford Diffraction Xcalibur (Atlas, Gemini) diffractometer | 10329 independent reflections |
| Graphite monochromator | 7642 reflections with |
| Detector resolution: 10.4685 pixels mm-1 | |
| ω scans | θmax = 25.4°, θmin = 3.4° |
| Absorption correction: analytical ( | |
| 42978 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 | |
| 10329 reflections | (Δ/σ)max = 0.001 |
| 592 parameters | Δρmax = 0.57 e Å−3 |
| 0 restraints | Δρmin = −0.59 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 |
| C1A | 0.0622 (4) | 0.19012 (9) | 0.3969 (3) | 0.0260 (11) | |
| H1A1 | 0.0615 | 0.1964 | 0.4611 | 0.031* | |
| H1A2 | 0.0722 | 0.169 | 0.3969 | 0.031* | |
| C2A | 0.2069 (5) | 0.20374 (10) | 0.3671 (3) | 0.0317 (12) | |
| H2A1 | 0.2366 | 0.1919 | 0.3179 | 0.038* | |
| H2A2 | 0.3014 | 0.2046 | 0.4212 | 0.038* | |
| C3A | 0.2999 (5) | 0.24984 (10) | 0.2547 (3) | 0.0295 (11) | |
| H3A | 0.4108 | 0.2472 | 0.2957 | 0.035* | |
| C4A | 0.2828 (5) | 0.22929 (11) | 0.1706 (3) | 0.0365 (12) | |
| H4A1 | 0.176 | 0.2318 | 0.1283 | 0.055* | |
| H4A2 | 0.2944 | 0.2094 | 0.1929 | 0.055* | |
| H4A3 | 0.3672 | 0.2336 | 0.1373 | 0.055* | |
| C5A | 0.2843 (5) | 0.28071 (11) | 0.2228 (4) | 0.0429 (14) | |
| H5A1 | 0.3655 | 0.2849 | 0.1872 | 0.064* | |
| H5A2 | 0.3015 | 0.2934 | 0.2774 | 0.064* | |
| H5A3 | 0.1757 | 0.2839 | 0.1833 | 0.064* | |
| C6A | 0.1872 (5) | 0.26167 (10) | 0.4291 (3) | 0.0334 (12) | |
| H6A | 0.1319 | 0.2511 | 0.4719 | 0.04* | |
| C7A | 0.3645 (5) | 0.26406 (12) | 0.4821 (3) | 0.0446 (14) | |
| H7A1 | 0.4255 | 0.2745 | 0.444 | 0.067* | |
| H7A2 | 0.4104 | 0.2448 | 0.4955 | 0.067* | |
| H7A3 | 0.3714 | 0.2744 | 0.5409 | 0.067* | |
| C8A | 0.1082 (6) | 0.29068 (12) | 0.4154 (4) | 0.0540 (16) | |
| H8A1 | 0.0955 | 0.298 | 0.4756 | 0.081* | |
| H8A2 | 0.0016 | 0.2891 | 0.3721 | 0.081* | |
| H8A3 | 0.176 | 0.3039 | 0.3895 | 0.081* | |
| C9A | −0.1868 (5) | 0.17146 (9) | 0.2339 (3) | 0.0281 (11) | |
| H9A | −0.1931 | 0.1536 | 0.2704 | 0.034* | |
| C10A | −0.0589 (5) | 0.16688 (11) | 0.1779 (3) | 0.0404 (13) | |
| H10A | −0.0914 | 0.1509 | 0.1343 | 0.061* | |
| H10B | 0.0453 | 0.1624 | 0.2206 | 0.061* | |
| H10C | −0.0484 | 0.1844 | 0.1428 | 0.061* | |
| C11A | −0.3540 (5) | 0.17688 (10) | 0.1700 (3) | 0.0396 (13) | |
| H11A | −0.3556 | 0.1958 | 0.1409 | 0.059* | |
| H11B | −0.4361 | 0.1762 | 0.2069 | 0.059* | |
| H11C | −0.3775 | 0.1621 | 0.1214 | 0.059* | |
| C12A | −0.2795 (5) | 0.20298 (10) | 0.3847 (3) | 0.0304 (11) | |
| H12A | −0.3867 | 0.2059 | 0.34 | 0.036* | |
| C13A | −0.2494 (6) | 0.22872 (12) | 0.4501 (3) | 0.0444 (14) | |
| H13A | −0.3357 | 0.23 | 0.4838 | 0.067* | |
| H13B | −0.2484 | 0.2463 | 0.4136 | 0.067* | |
| H13C | −0.1448 | 0.2265 | 0.4948 | 0.067* | |
| C14A | −0.2903 (6) | 0.17527 (12) | 0.4394 (4) | 0.0522 (15) | |
| H14A | −0.188 | 0.1722 | 0.4855 | 0.078* | |
| H14B | −0.3113 | 0.159 | 0.3962 | 0.078* | |
| H14C | −0.3787 | 0.177 | 0.4715 | 0.078* | |
| C15A | −0.2766 (5) | 0.27222 (9) | 0.1602 (3) | 0.0198 (10) | |
| Ni1A | −0.09895 (6) | 0.241123 (11) | 0.25206 (4) | 0.01761 (14) | |
| O1A | −0.3167 (3) | 0.24726 (6) | 0.1911 (2) | 0.0264 (7) | |
| O2A | −0.1191 (3) | 0.27667 (6) | 0.18928 (19) | 0.0223 (7) | |
| O3A | −0.3730 (3) | 0.28892 (6) | 0.11296 (19) | 0.0271 (7) | |
| P1A | −0.12663 (12) | 0.20091 (2) | 0.31662 (8) | 0.0214 (3) | |
| P2A | 0.15252 (12) | 0.24007 (3) | 0.32275 (8) | 0.0228 (3) | |
| C1B | 0.4161 (4) | 0.03946 (9) | 0.1585 (3) | 0.0208 (10) | |
| H1B1 | 0.4405 | 0.0188 | 0.1704 | 0.025* | |
| H1B2 | 0.297 | 0.0419 | 0.144 | 0.025* | |
| C2B | 0.4810 (4) | 0.04938 (9) | 0.0755 (3) | 0.0201 (10) | |
| H2B1 | 0.4232 | 0.0669 | 0.0478 | 0.024* | |
| H2B2 | 0.4638 | 0.0342 | 0.0271 | 0.024* | |
| C3B | 0.7525 (5) | 0.07725 (9) | 0.0237 (3) | 0.0240 (10) | |
| H3B | 0.7128 | 0.0666 | −0.0362 | 0.029* | |
| C4B | 0.6691 (6) | 0.10641 (10) | 0.0144 (3) | 0.0397 (13) | |
| H4B1 | 0.6932 | 0.116 | 0.0753 | 0.06* | |
| H4B2 | 0.5519 | 0.1038 | −0.0073 | 0.06* | |
| H4B3 | 0.7087 | 0.1182 | −0.0307 | 0.06* | |
| C5B | 0.9357 (5) | 0.08070 (11) | 0.0401 (3) | 0.0389 (13) | |
| H5B1 | 0.9608 | 0.0925 | −0.0097 | 0.058* | |
| H5B2 | 0.986 | 0.0618 | 0.0401 | 0.058* | |
| H5B3 | 0.9781 | 0.09 | 0.1006 | 0.058* | |
| C6B | 0.7921 (4) | 0.02135 (9) | 0.1257 (3) | 0.0187 (10) | |
| H6B | 0.7227 | 0.0085 | 0.1542 | 0.022* | |
| C7B | 0.7946 (5) | 0.00803 (10) | 0.0308 (3) | 0.0270 (11) | |
| H7B1 | 0.8736 | 0.0182 | 0.0037 | 0.04* | |
| H7B2 | 0.6868 | 0.0096 | −0.0112 | 0.04* | |
| H7B3 | 0.825 | −0.0123 | 0.0393 | 0.04* | |
| C8B | 0.9599 (4) | 0.02111 (10) | 0.1927 (3) | 0.0289 (11) | |
| H8B1 | 0.9987 | 0.0013 | 0.2028 | 0.043* | |
| H8B2 | 0.9531 | 0.0296 | 0.2526 | 0.043* | |
| H8B3 | 1.0354 | 0.0323 | 0.1658 | 0.043* | |
| C9B | 0.3595 (4) | 0.08739 (10) | 0.2764 (3) | 0.0267 (11) | |
| H9B | 0.2538 | 0.0774 | 0.2725 | 0.032* | |
| C10B | 0.4088 (5) | 0.10235 (11) | 0.3715 (4) | 0.0437 (14) | |
| H10D | 0.515 | 0.1114 | 0.378 | 0.065* | |
| H10E | 0.4146 | 0.0882 | 0.4213 | 0.065* | |
| H10F | 0.3283 | 0.117 | 0.3759 | 0.065* | |
| C11B | 0.3360 (5) | 0.10932 (11) | 0.1977 (4) | 0.0439 (14) | |
| H11D | 0.2513 | 0.123 | 0.2037 | 0.066* | |
| H11E | 0.3038 | 0.0994 | 0.1374 | 0.066* | |
| H11F | 0.4377 | 0.1197 | 0.2012 | 0.066* | |
| C12B | 0.5298 (4) | 0.03565 (10) | 0.3619 (3) | 0.0239 (10) | |
| H12B | 0.5646 | 0.0473 | 0.4202 | 0.029* | |
| C13B | 0.6622 (5) | 0.01380 (10) | 0.3618 (3) | 0.0307 (11) | |
| H13D | 0.6762 | 0.0016 | 0.4173 | 0.046* | |
| H13E | 0.7639 | 0.0238 | 0.3625 | 0.046* | |
| H13F | 0.632 | 0.0019 | 0.3055 | 0.046* | |
| C14B | 0.3705 (5) | 0.02115 (11) | 0.3657 (3) | 0.0383 (13) | |
| H14D | 0.3359 | 0.0086 | 0.3113 | 0.057* | |
| H14E | 0.2876 | 0.0358 | 0.3651 | 0.057* | |
| H14F | 0.3857 | 0.0098 | 0.423 | 0.057* | |
| C15B | 0.9336 (4) | 0.10590 (9) | 0.3390 (3) | 0.0195 (10) | |
| Ni1B | 0.73598 (5) | 0.077729 (11) | 0.24982 (4) | 0.01499 (13) | |
| O1B | 0.7989 (3) | 0.09799 (6) | 0.36375 (18) | 0.0198 (7) | |
| O2B | 0.9390 (3) | 0.09517 (6) | 0.25715 (19) | 0.0204 (7) | |
| O3B | 1.0375 (3) | 0.12153 (6) | 0.38621 (19) | 0.0250 (7) | |
| P1B | 0.50899 (11) | 0.06037 (2) | 0.26289 (7) | 0.0180 (3) | |
| P2B | 0.69677 (11) | 0.05682 (2) | 0.11706 (7) | 0.0153 (2) | |
| C1C | 0.0137 (4) | 0.14384 (9) | 0.6708 (3) | 0.0212 (10) | |
| H1C1 | −0.0619 | 0.1474 | 0.7115 | 0.025* | |
| H1C2 | 0.0272 | 0.162 | 0.6385 | 0.025* | |
| C2C | −0.0556 (4) | 0.12052 (9) | 0.5987 (3) | 0.0229 (10) | |
| H2C1 | −0.0037 | 0.1217 | 0.5453 | 0.027* | |
| H2C2 | −0.1735 | 0.1234 | 0.5749 | 0.027* | |
| C3C | −0.0352 (4) | 0.05938 (9) | 0.5589 (3) | 0.0188 (9) | |
| H3C | −0.1338 | 0.0641 | 0.5091 | 0.023* | |
| C4C | 0.1129 (5) | 0.06146 (10) | 0.5169 (3) | 0.0300 (11) | |
| H4C1 | 0.2098 | 0.0556 | 0.5636 | 0.045* | |
| H4C2 | 0.1257 | 0.0813 | 0.4978 | 0.045* | |
| H4C3 | 0.098 | 0.0488 | 0.4624 | 0.045* | |
| C5C | −0.0524 (5) | 0.02856 (9) | 0.5923 (3) | 0.0237 (10) | |
| H5C1 | −0.0582 | 0.0152 | 0.5402 | 0.036* | |
| H5C2 | −0.1514 | 0.027 | 0.6152 | 0.036* | |
| H5C3 | 0.0415 | 0.0238 | 0.6428 | 0.036* | |
| C6C | −0.1881 (4) | 0.08059 (10) | 0.7094 (3) | 0.0225 (10) | |
| H6C | −0.2004 | 0.0993 | 0.7402 | 0.027* | |
| C7C | −0.3499 (4) | 0.07530 (10) | 0.6393 (3) | 0.0290 (11) | |
| H7C1 | −0.3472 | 0.0566 | 0.6094 | 0.044* | |
| H7C2 | −0.3682 | 0.0904 | 0.5916 | 0.044* | |
| H7C3 | −0.4379 | 0.0756 | 0.672 | 0.044* | |
| C8C | −0.1566 (5) | 0.05835 (10) | 0.7871 (3) | 0.0281 (11) | |
| H8C1 | −0.2466 | 0.0583 | 0.8181 | 0.042* | |
| H8C2 | −0.0558 | 0.063 | 0.8325 | 0.042* | |
| H8C3 | −0.147 | 0.0393 | 0.7605 | 0.042* | |
| C9C | 0.3637 (4) | 0.14924 (9) | 0.6907 (3) | 0.0233 (10) | |
| H9C | 0.3468 | 0.1705 | 0.6917 | 0.028* | |
| C10C | 0.3441 (5) | 0.14000 (11) | 0.5898 (3) | 0.0353 (12) | |
| H10G | 0.4288 | 0.1489 | 0.5643 | 0.053* | |
| H10H | 0.2376 | 0.146 | 0.5531 | 0.053* | |
| H10I | 0.3533 | 0.1191 | 0.5869 | 0.053* | |
| C11C | 0.5336 (4) | 0.14270 (10) | 0.7485 (3) | 0.0286 (11) | |
| H11G | 0.5498 | 0.1219 | 0.7526 | 0.043* | |
| H11H | 0.5465 | 0.1507 | 0.8114 | 0.043* | |
| H11I | 0.6137 | 0.1514 | 0.7187 | 0.043* | |
| C12C | 0.2326 (5) | 0.14893 (9) | 0.8573 (3) | 0.0241 (10) | |
| H12C | 0.3496 | 0.1475 | 0.8901 | 0.029* | |
| C13C | 0.1385 (6) | 0.13196 (11) | 0.9153 (3) | 0.0457 (14) | |
| H13G | 0.159 | 0.1401 | 0.9784 | 0.069* | |
| H13H | 0.1734 | 0.1119 | 0.9188 | 0.069* | |
| H13I | 0.0225 | 0.133 | 0.886 | 0.069* | |
| C14C | 0.1893 (5) | 0.18064 (10) | 0.8518 (3) | 0.0333 (12) | |
| H14G | 0.073 | 0.1829 | 0.8248 | 0.05* | |
| H14H | 0.2504 | 0.1905 | 0.8125 | 0.05* | |
| H14I | 0.2166 | 0.1889 | 0.9147 | 0.05* | |
| C15C | 0.3927 (4) | 0.05090 (9) | 0.8190 (3) | 0.0196 (10) | |
| Ni1C | 0.21570 (5) | 0.085830 (11) | 0.74854 (4) | 0.01691 (13) | |
| O1C | 0.4212 (3) | 0.07890 (6) | 0.82835 (19) | 0.0234 (7) | |
| O2C | 0.2466 (3) | 0.04613 (6) | 0.76615 (19) | 0.0220 (7) | |
| O3C | 0.4888 (3) | 0.03226 (6) | 0.85383 (19) | 0.0231 (7) | |
| P1C | 0.21058 (12) | 0.13190 (2) | 0.74185 (8) | 0.0189 (3) | |
| P2C | −0.01785 (11) | 0.08543 (2) | 0.65341 (7) | 0.0171 (2) |
| C1A | 0.030 (2) | 0.016 (3) | 0.028 (3) | 0.0080 (19) | −0.0017 (19) | 0.005 (2) |
| C2A | 0.026 (2) | 0.030 (3) | 0.035 (3) | 0.009 (2) | −0.001 (2) | 0.006 (2) |
| C3A | 0.018 (2) | 0.035 (3) | 0.034 (3) | −0.001 (2) | 0.0039 (19) | −0.001 (2) |
| C4A | 0.034 (3) | 0.041 (3) | 0.037 (3) | −0.001 (2) | 0.015 (2) | −0.003 (3) |
| C5A | 0.038 (3) | 0.047 (4) | 0.047 (4) | −0.008 (2) | 0.016 (2) | 0.012 (3) |
| C6A | 0.027 (2) | 0.035 (3) | 0.034 (3) | −0.004 (2) | 0.000 (2) | −0.010 (2) |
| C7A | 0.032 (3) | 0.054 (4) | 0.042 (3) | −0.004 (2) | −0.005 (2) | −0.014 (3) |
| C8A | 0.061 (3) | 0.046 (4) | 0.046 (4) | 0.009 (3) | −0.006 (3) | −0.017 (3) |
| C9A | 0.035 (2) | 0.011 (2) | 0.033 (3) | −0.0028 (19) | −0.004 (2) | 0.002 (2) |
| C10A | 0.050 (3) | 0.029 (3) | 0.039 (3) | 0.003 (2) | 0.004 (2) | −0.014 (2) |
| C11A | 0.041 (3) | 0.022 (3) | 0.045 (3) | 0.001 (2) | −0.011 (2) | −0.003 (2) |
| C12A | 0.034 (2) | 0.026 (3) | 0.033 (3) | −0.003 (2) | 0.011 (2) | 0.007 (2) |
| C13A | 0.048 (3) | 0.052 (4) | 0.039 (3) | 0.019 (3) | 0.021 (2) | 0.005 (3) |
| C14A | 0.054 (3) | 0.049 (4) | 0.060 (4) | 0.001 (3) | 0.027 (3) | 0.025 (3) |
| C15A | 0.031 (2) | 0.014 (2) | 0.013 (2) | 0.0052 (19) | 0.0028 (18) | −0.0026 (19) |
| Ni1A | 0.0189 (3) | 0.0126 (3) | 0.0195 (3) | 0.0011 (2) | 0.0009 (2) | 0.0015 (2) |
| O1A | 0.0207 (15) | 0.0216 (18) | 0.0339 (19) | −0.0012 (13) | 0.0005 (12) | 0.0099 (15) |
| O2A | 0.0219 (15) | 0.0147 (17) | 0.0279 (18) | 0.0003 (12) | 0.0011 (12) | 0.0043 (13) |
| O3A | 0.0320 (16) | 0.0214 (18) | 0.0234 (18) | 0.0081 (14) | −0.0024 (13) | 0.0046 (14) |
| P1A | 0.0227 (6) | 0.0149 (6) | 0.0240 (7) | 0.0013 (5) | 0.0001 (5) | 0.0031 (5) |
| P2A | 0.0190 (5) | 0.0212 (7) | 0.0257 (7) | −0.0001 (5) | 0.0004 (5) | 0.0001 (5) |
| C1B | 0.0146 (19) | 0.024 (3) | 0.021 (3) | −0.0017 (18) | 0.0000 (17) | −0.003 (2) |
| C2B | 0.0146 (19) | 0.027 (3) | 0.018 (2) | 0.0008 (18) | 0.0021 (16) | −0.004 (2) |
| C3B | 0.036 (2) | 0.023 (3) | 0.014 (2) | −0.010 (2) | 0.0070 (18) | 0.000 (2) |
| C4B | 0.064 (3) | 0.022 (3) | 0.031 (3) | −0.012 (2) | 0.007 (2) | 0.006 (2) |
| C5B | 0.045 (3) | 0.049 (4) | 0.027 (3) | −0.024 (3) | 0.018 (2) | 0.002 (2) |
| C6B | 0.018 (2) | 0.014 (2) | 0.023 (3) | −0.0004 (17) | 0.0038 (17) | 0.0015 (19) |
| C7B | 0.024 (2) | 0.025 (3) | 0.031 (3) | 0.0029 (19) | 0.0052 (19) | −0.011 (2) |
| C8B | 0.023 (2) | 0.029 (3) | 0.032 (3) | 0.002 (2) | 0.0027 (19) | −0.001 (2) |
| C9B | 0.019 (2) | 0.032 (3) | 0.031 (3) | 0.000 (2) | 0.0095 (18) | −0.011 (2) |
| C10B | 0.027 (2) | 0.049 (4) | 0.056 (4) | 0.003 (2) | 0.012 (2) | −0.027 (3) |
| C11B | 0.036 (3) | 0.034 (3) | 0.062 (4) | 0.013 (2) | 0.012 (2) | −0.002 (3) |
| C12B | 0.023 (2) | 0.032 (3) | 0.018 (3) | −0.010 (2) | 0.0069 (18) | −0.005 (2) |
| C13B | 0.037 (3) | 0.034 (3) | 0.022 (3) | −0.003 (2) | 0.008 (2) | 0.007 (2) |
| C14B | 0.034 (3) | 0.053 (4) | 0.030 (3) | −0.011 (2) | 0.012 (2) | 0.008 (3) |
| C15B | 0.023 (2) | 0.013 (2) | 0.018 (3) | −0.0016 (18) | −0.0032 (18) | 0.0047 (19) |
| Ni1B | 0.0141 (2) | 0.0162 (3) | 0.0144 (3) | −0.0024 (2) | 0.0028 (2) | −0.0025 (2) |
| O1B | 0.0186 (14) | 0.0237 (17) | 0.0173 (17) | −0.0043 (12) | 0.0044 (12) | −0.0058 (13) |
| O2B | 0.0173 (14) | 0.0265 (18) | 0.0169 (17) | −0.0090 (12) | 0.0031 (11) | −0.0040 (14) |
| O3B | 0.0250 (15) | 0.0214 (18) | 0.0246 (18) | −0.0047 (13) | −0.0021 (12) | −0.0014 (14) |
| P1B | 0.0153 (5) | 0.0207 (6) | 0.0184 (7) | −0.0013 (5) | 0.0047 (4) | −0.0047 (5) |
| P2B | 0.0162 (5) | 0.0151 (6) | 0.0145 (6) | −0.0025 (4) | 0.0036 (4) | −0.0006 (5) |
| C1C | 0.025 (2) | 0.013 (2) | 0.028 (3) | 0.0046 (18) | 0.0096 (18) | 0.009 (2) |
| C2C | 0.020 (2) | 0.022 (3) | 0.025 (3) | 0.0040 (19) | 0.0026 (18) | 0.001 (2) |
| C3C | 0.020 (2) | 0.021 (3) | 0.015 (2) | 0.0029 (18) | 0.0052 (17) | −0.0022 (19) |
| C4C | 0.041 (3) | 0.029 (3) | 0.023 (3) | 0.006 (2) | 0.014 (2) | 0.002 (2) |
| C5C | 0.026 (2) | 0.022 (3) | 0.024 (3) | 0.0001 (19) | 0.0064 (18) | −0.007 (2) |
| C6C | 0.020 (2) | 0.027 (3) | 0.022 (3) | 0.0052 (19) | 0.0075 (17) | −0.005 (2) |
| C7C | 0.023 (2) | 0.030 (3) | 0.035 (3) | −0.002 (2) | 0.0091 (19) | −0.004 (2) |
| C8C | 0.033 (2) | 0.031 (3) | 0.023 (3) | −0.004 (2) | 0.013 (2) | 0.001 (2) |
| C9C | 0.027 (2) | 0.013 (2) | 0.032 (3) | −0.0003 (18) | 0.0121 (19) | 0.004 (2) |
| C10C | 0.034 (3) | 0.044 (3) | 0.032 (3) | 0.001 (2) | 0.015 (2) | 0.012 (2) |
| C11C | 0.021 (2) | 0.028 (3) | 0.037 (3) | −0.004 (2) | 0.0090 (19) | −0.004 (2) |
| C12C | 0.032 (2) | 0.019 (3) | 0.023 (3) | −0.0006 (19) | 0.0099 (19) | 0.000 (2) |
| C13C | 0.074 (4) | 0.034 (3) | 0.040 (4) | −0.012 (3) | 0.034 (3) | −0.006 (3) |
| C14C | 0.044 (3) | 0.023 (3) | 0.034 (3) | −0.001 (2) | 0.010 (2) | −0.008 (2) |
| C15C | 0.019 (2) | 0.024 (3) | 0.017 (3) | −0.002 (2) | 0.0054 (18) | −0.004 (2) |
| Ni1C | 0.0175 (3) | 0.0123 (3) | 0.0202 (3) | 0.0011 (2) | 0.0029 (2) | 0.0022 (2) |
| O1C | 0.0202 (14) | 0.0162 (17) | 0.0295 (19) | −0.0020 (12) | −0.0030 (12) | −0.0007 (14) |
| O2C | 0.0171 (14) | 0.0165 (16) | 0.0277 (18) | 0.0028 (12) | −0.0039 (12) | 0.0004 (13) |
| O3C | 0.0216 (14) | 0.0179 (17) | 0.0268 (18) | 0.0047 (13) | −0.0004 (12) | 0.0065 (14) |
| P1C | 0.0198 (5) | 0.0145 (6) | 0.0228 (7) | 0.0012 (5) | 0.0061 (4) | 0.0027 (5) |
| P2C | 0.0183 (5) | 0.0142 (6) | 0.0185 (6) | 0.0021 (5) | 0.0039 (4) | 0.0007 (5) |
| C1A—C2A | 1.537 (6) | C9B—C10B | 1.532 (6) |
| C1A—P1A | 1.825 (4) | C9B—P1B | 1.832 (4) |
| C1A—H1A1 | 0.99 | C9B—H9B | 1 |
| C1A—H1A2 | 0.99 | C10B—H10D | 0.98 |
| C2A—P2A | 1.833 (4) | C10B—H10E | 0.98 |
| C2A—H2A1 | 0.99 | C10B—H10F | 0.98 |
| C2A—H2A2 | 0.99 | C11B—H11D | 0.98 |
| C3A—C5A | 1.509 (6) | C11B—H11E | 0.98 |
| C3A—C4A | 1.545 (6) | C11B—H11F | 0.98 |
| C3A—P2A | 1.837 (4) | C12B—C13B | 1.517 (6) |
| C3A—H3A | 1 | C12B—C14B | 1.525 (5) |
| C4A—H4A1 | 0.98 | C12B—P1B | 1.834 (4) |
| C4A—H4A2 | 0.98 | C12B—H12B | 1 |
| C4A—H4A3 | 0.98 | C13B—H13D | 0.98 |
| C5A—H5A1 | 0.98 | C13B—H13E | 0.98 |
| C5A—H5A2 | 0.98 | C13B—H13F | 0.98 |
| C5A—H5A3 | 0.98 | C14B—H14D | 0.98 |
| C6A—C8A | 1.501 (6) | C14B—H14E | 0.98 |
| C6A—C7A | 1.530 (5) | C14B—H14F | 0.98 |
| C6A—P2A | 1.827 (5) | C15B—O3B | 1.227 (4) |
| C6A—H6A | 1 | C15B—O2B | 1.316 (5) |
| C7A—H7A1 | 0.98 | C15B—O1B | 1.332 (4) |
| C7A—H7A2 | 0.98 | C15B—Ni1B | 2.287 (4) |
| C7A—H7A3 | 0.98 | Ni1B—O2B | 1.887 (2) |
| C8A—H8A1 | 0.98 | Ni1B—O1B | 1.890 (3) |
| C8A—H8A2 | 0.98 | Ni1B—P2B | 2.1399 (12) |
| C8A—H8A3 | 0.98 | Ni1B—P1B | 2.1415 (11) |
| C9A—C10A | 1.526 (6) | C1C—C2C | 1.536 (6) |
| C9A—C11A | 1.529 (5) | C1C—P1C | 1.838 (4) |
| C9A—P1A | 1.826 (4) | C1C—H1C1 | 0.99 |
| C9A—H9A | 1 | C1C—H1C2 | 0.99 |
| C10A—H10A | 0.98 | C2C—P2C | 1.817 (4) |
| C10A—H10B | 0.98 | C2C—H2C1 | 0.99 |
| C10A—H10C | 0.98 | C2C—H2C2 | 0.99 |
| C11A—H11A | 0.98 | C3C—C4C | 1.531 (5) |
| C11A—H11B | 0.98 | C3C—C5C | 1.536 (6) |
| C11A—H11C | 0.98 | C3C—P2C | 1.827 (4) |
| C12A—C13A | 1.521 (7) | C3C—H3C | 1 |
| C12A—C14A | 1.536 (6) | C4C—H4C1 | 0.98 |
| C12A—P1A | 1.821 (4) | C4C—H4C2 | 0.98 |
| C12A—H12A | 1 | C4C—H4C3 | 0.98 |
| C13A—H13A | 0.98 | C5C—H5C1 | 0.98 |
| C13A—H13B | 0.98 | C5C—H5C2 | 0.98 |
| C13A—H13C | 0.98 | C5C—H5C3 | 0.98 |
| C14A—H14A | 0.98 | C6C—C8C | 1.520 (6) |
| C14A—H14B | 0.98 | C6C—C7C | 1.533 (5) |
| C14A—H14C | 0.98 | C6C—P2C | 1.841 (4) |
| C15A—O3A | 1.221 (4) | C6C—H6C | 1 |
| C15A—O2A | 1.322 (4) | C7C—H7C1 | 0.98 |
| C15A—O1A | 1.322 (5) | C7C—H7C2 | 0.98 |
| C15A—Ni1A | 2.291 (4) | C7C—H7C3 | 0.98 |
| Ni1A—O1A | 1.879 (2) | C8C—H8C1 | 0.98 |
| Ni1A—O2A | 1.885 (3) | C8C—H8C2 | 0.98 |
| Ni1A—P1A | 2.1390 (12) | C8C—H8C3 | 0.98 |
| Ni1A—P2A | 2.1460 (11) | C9C—C10C | 1.520 (6) |
| C1B—C2B | 1.526 (5) | C9C—C11C | 1.524 (5) |
| C1B—P1B | 1.835 (4) | C9C—P1C | 1.837 (4) |
| C1B—H1B1 | 0.99 | C9C—H9C | 1 |
| C1B—H1B2 | 0.99 | C10C—H10G | 0.98 |
| C2B—P2B | 1.825 (3) | C10C—H10H | 0.98 |
| C2B—H2B1 | 0.99 | C10C—H10I | 0.98 |
| C2B—H2B2 | 0.99 | C11C—H11G | 0.98 |
| C3B—C4B | 1.523 (6) | C11C—H11H | 0.98 |
| C3B—C5B | 1.527 (5) | C11C—H11I | 0.98 |
| C3B—P2B | 1.825 (4) | C12C—C14C | 1.520 (6) |
| C3B—H3B | 1 | C12C—C13C | 1.522 (6) |
| C4B—H4B1 | 0.98 | C12C—P1C | 1.847 (4) |
| C4B—H4B2 | 0.98 | C12C—H12C | 1 |
| C4B—H4B3 | 0.98 | C13C—H13G | 0.98 |
| C5B—H5B1 | 0.98 | C13C—H13H | 0.98 |
| C5B—H5B2 | 0.98 | C13C—H13I | 0.98 |
| C5B—H5B3 | 0.98 | C14C—H14G | 0.98 |
| C6B—C8B | 1.532 (5) | C14C—H14H | 0.98 |
| C6B—C7B | 1.535 (5) | C14C—H14I | 0.98 |
| C6B—P2B | 1.831 (4) | C15C—O3C | 1.220 (4) |
| C6B—H6B | 1 | C15C—O2C | 1.320 (4) |
| C7B—H7B1 | 0.98 | C15C—O1C | 1.328 (5) |
| C7B—H7B2 | 0.98 | C15C—Ni1C | 2.291 (4) |
| C7B—H7B3 | 0.98 | Ni1C—O2C | 1.877 (3) |
| C8B—H8B1 | 0.98 | Ni1C—O1C | 1.889 (2) |
| C8B—H8B2 | 0.98 | Ni1C—P2C | 2.1433 (10) |
| C8B—H8B3 | 0.98 | Ni1C—P1C | 2.1481 (12) |
| C9B—C11B | 1.523 (6) | ||
| C2A—C1A—P1A | 110.0 (3) | C9B—C10B—H10F | 109.5 |
| C2A—C1A—H1A1 | 109.7 | H10D—C10B—H10F | 109.5 |
| P1A—C1A—H1A1 | 109.7 | H10E—C10B—H10F | 109.5 |
| C2A—C1A—H1A2 | 109.7 | C9B—C11B—H11D | 109.5 |
| P1A—C1A—H1A2 | 109.7 | C9B—C11B—H11E | 109.5 |
| H1A1—C1A—H1A2 | 108.2 | H11D—C11B—H11E | 109.5 |
| C1A—C2A—P2A | 109.4 (3) | C9B—C11B—H11F | 109.5 |
| C1A—C2A—H2A1 | 109.8 | H11D—C11B—H11F | 109.5 |
| P2A—C2A—H2A1 | 109.8 | H11E—C11B—H11F | 109.5 |
| C1A—C2A—H2A2 | 109.8 | C13B—C12B—C14B | 111.6 (4) |
| P2A—C2A—H2A2 | 109.8 | C13B—C12B—P1B | 110.7 (3) |
| H2A1—C2A—H2A2 | 108.2 | C14B—C12B—P1B | 112.8 (3) |
| C5A—C3A—C4A | 110.9 (4) | C13B—C12B—H12B | 107.2 |
| C5A—C3A—P2A | 112.6 (3) | C14B—C12B—H12B | 107.2 |
| C4A—C3A—P2A | 109.7 (3) | P1B—C12B—H12B | 107.2 |
| C5A—C3A—H3A | 107.8 | C12B—C13B—H13D | 109.5 |
| C4A—C3A—H3A | 107.8 | C12B—C13B—H13E | 109.5 |
| P2A—C3A—H3A | 107.8 | H13D—C13B—H13E | 109.5 |
| C3A—C4A—H4A1 | 109.5 | C12B—C13B—H13F | 109.5 |
| C3A—C4A—H4A2 | 109.5 | H13D—C13B—H13F | 109.5 |
| H4A1—C4A—H4A2 | 109.5 | H13E—C13B—H13F | 109.5 |
| C3A—C4A—H4A3 | 109.5 | C12B—C14B—H14D | 109.5 |
| H4A1—C4A—H4A3 | 109.5 | C12B—C14B—H14E | 109.5 |
| H4A2—C4A—H4A3 | 109.5 | H14D—C14B—H14E | 109.5 |
| C3A—C5A—H5A1 | 109.5 | C12B—C14B—H14F | 109.5 |
| C3A—C5A—H5A2 | 109.5 | H14D—C14B—H14F | 109.5 |
| H5A1—C5A—H5A2 | 109.5 | H14E—C14B—H14F | 109.5 |
| C3A—C5A—H5A3 | 109.5 | O3B—C15B—O2B | 124.7 (4) |
| H5A1—C5A—H5A3 | 109.5 | O3B—C15B—O1B | 124.0 (4) |
| H5A2—C5A—H5A3 | 109.5 | O2B—C15B—O1B | 111.3 (3) |
| C8A—C6A—C7A | 111.0 (4) | O3B—C15B—Ni1B | 178.6 (3) |
| C8A—C6A—P2A | 113.8 (3) | O2B—C15B—Ni1B | 55.59 (18) |
| C7A—C6A—P2A | 114.8 (3) | O1B—C15B—Ni1B | 55.71 (18) |
| C8A—C6A—H6A | 105.4 | O2B—Ni1B—O1B | 70.75 (11) |
| C7A—C6A—H6A | 105.4 | O2B—Ni1B—P2B | 101.06 (9) |
| P2A—C6A—H6A | 105.4 | O1B—Ni1B—P2B | 171.81 (8) |
| C6A—C7A—H7A1 | 109.5 | O2B—Ni1B—P1B | 171.17 (9) |
| C6A—C7A—H7A2 | 109.5 | O1B—Ni1B—P1B | 100.44 (8) |
| H7A1—C7A—H7A2 | 109.5 | P2B—Ni1B—P1B | 87.75 (4) |
| C6A—C7A—H7A3 | 109.5 | O2B—Ni1B—C15B | 35.14 (13) |
| H7A1—C7A—H7A3 | 109.5 | O1B—Ni1B—C15B | 35.62 (13) |
| H7A2—C7A—H7A3 | 109.5 | P2B—Ni1B—C15B | 136.19 (11) |
| C6A—C8A—H8A1 | 109.5 | P1B—Ni1B—C15B | 136.06 (12) |
| C6A—C8A—H8A2 | 109.5 | C15B—O1B—Ni1B | 88.7 (2) |
| H8A1—C8A—H8A2 | 109.5 | C15B—O2B—Ni1B | 89.3 (2) |
| C6A—C8A—H8A3 | 109.5 | C9B—P1B—C12B | 106.5 (2) |
| H8A1—C8A—H8A3 | 109.5 | C9B—P1B—C1B | 106.47 (18) |
| H8A2—C8A—H8A3 | 109.5 | C12B—P1B—C1B | 106.0 (2) |
| C10A—C9A—C11A | 111.6 (4) | C9B—P1B—Ni1B | 114.38 (15) |
| C10A—C9A—P1A | 110.0 (3) | C12B—P1B—Ni1B | 112.86 (12) |
| C11A—C9A—P1A | 111.1 (3) | C1B—P1B—Ni1B | 110.11 (13) |
| C10A—C9A—H9A | 108 | C2B—P2B—C3B | 105.38 (18) |
| C11A—C9A—H9A | 108 | C2B—P2B—C6B | 104.17 (18) |
| P1A—C9A—H9A | 108 | C3B—P2B—C6B | 109.5 (2) |
| C9A—C10A—H10A | 109.5 | C2B—P2B—Ni1B | 108.71 (14) |
| C9A—C10A—H10B | 109.5 | C3B—P2B—Ni1B | 116.09 (15) |
| H10A—C10A—H10B | 109.5 | C6B—P2B—Ni1B | 112.08 (13) |
| C9A—C10A—H10C | 109.5 | C2C—C1C—P1C | 109.2 (3) |
| H10A—C10A—H10C | 109.5 | C2C—C1C—H1C1 | 109.8 |
| H10B—C10A—H10C | 109.5 | P1C—C1C—H1C1 | 109.8 |
| C9A—C11A—H11A | 109.5 | C2C—C1C—H1C2 | 109.8 |
| C9A—C11A—H11B | 109.5 | P1C—C1C—H1C2 | 109.8 |
| H11A—C11A—H11B | 109.5 | H1C1—C1C—H1C2 | 108.3 |
| C9A—C11A—H11C | 109.5 | C1C—C2C—P2C | 109.3 (3) |
| H11A—C11A—H11C | 109.5 | C1C—C2C—H2C1 | 109.8 |
| H11B—C11A—H11C | 109.5 | P2C—C2C—H2C1 | 109.8 |
| C13A—C12A—C14A | 110.6 (4) | C1C—C2C—H2C2 | 109.8 |
| C13A—C12A—P1A | 110.8 (3) | P2C—C2C—H2C2 | 109.8 |
| C14A—C12A—P1A | 112.5 (3) | H2C1—C2C—H2C2 | 108.3 |
| C13A—C12A—H12A | 107.5 | C4C—C3C—C5C | 109.7 (3) |
| C14A—C12A—H12A | 107.5 | C4C—C3C—P2C | 109.8 (3) |
| P1A—C12A—H12A | 107.5 | C5C—C3C—P2C | 111.9 (3) |
| C12A—C13A—H13A | 109.5 | C4C—C3C—H3C | 108.4 |
| C12A—C13A—H13B | 109.5 | C5C—C3C—H3C | 108.4 |
| H13A—C13A—H13B | 109.5 | P2C—C3C—H3C | 108.4 |
| C12A—C13A—H13C | 109.5 | C3C—C4C—H4C1 | 109.5 |
| H13A—C13A—H13C | 109.5 | C3C—C4C—H4C2 | 109.5 |
| H13B—C13A—H13C | 109.5 | H4C1—C4C—H4C2 | 109.5 |
| C12A—C14A—H14A | 109.5 | C3C—C4C—H4C3 | 109.5 |
| C12A—C14A—H14B | 109.5 | H4C1—C4C—H4C3 | 109.5 |
| H14A—C14A—H14B | 109.5 | H4C2—C4C—H4C3 | 109.5 |
| C12A—C14A—H14C | 109.5 | C3C—C5C—H5C1 | 109.5 |
| H14A—C14A—H14C | 109.5 | C3C—C5C—H5C2 | 109.5 |
| H14B—C14A—H14C | 109.5 | H5C1—C5C—H5C2 | 109.5 |
| O3A—C15A—O2A | 125.2 (4) | C3C—C5C—H5C3 | 109.5 |
| O3A—C15A—O1A | 124.3 (4) | H5C1—C5C—H5C3 | 109.5 |
| O2A—C15A—O1A | 110.5 (3) | H5C2—C5C—H5C3 | 109.5 |
| O3A—C15A—Ni1A | 178.5 (3) | C8C—C6C—C7C | 111.7 (4) |
| O2A—C15A—Ni1A | 55.36 (18) | C8C—C6C—P2C | 113.8 (3) |
| O1A—C15A—Ni1A | 55.10 (18) | C7C—C6C—P2C | 113.1 (3) |
| O1A—Ni1A—O2A | 70.50 (11) | C8C—C6C—H6C | 105.8 |
| O1A—Ni1A—P1A | 98.44 (9) | C7C—C6C—H6C | 105.8 |
| O2A—Ni1A—P1A | 168.79 (8) | P2C—C6C—H6C | 105.8 |
| O1A—Ni1A—P2A | 172.56 (10) | C6C—C7C—H7C1 | 109.5 |
| O2A—Ni1A—P2A | 102.91 (8) | C6C—C7C—H7C2 | 109.5 |
| P1A—Ni1A—P2A | 88.01 (4) | H7C1—C7C—H7C2 | 109.5 |
| O1A—Ni1A—C15A | 35.25 (13) | C6C—C7C—H7C3 | 109.5 |
| O2A—Ni1A—C15A | 35.25 (12) | H7C1—C7C—H7C3 | 109.5 |
| P1A—Ni1A—C15A | 133.66 (11) | H7C2—C7C—H7C3 | 109.5 |
| P2A—Ni1A—C15A | 138.05 (11) | C6C—C8C—H8C1 | 109.5 |
| C15A—O1A—Ni1A | 89.7 (2) | C6C—C8C—H8C2 | 109.5 |
| C15A—O2A—Ni1A | 89.4 (2) | H8C1—C8C—H8C2 | 109.5 |
| C12A—P1A—C1A | 106.8 (2) | C6C—C8C—H8C3 | 109.5 |
| C12A—P1A—C9A | 106.5 (2) | H8C1—C8C—H8C3 | 109.5 |
| C1A—P1A—C9A | 106.93 (19) | H8C2—C8C—H8C3 | 109.5 |
| C12A—P1A—Ni1A | 111.46 (15) | C10C—C9C—C11C | 111.2 (3) |
| C1A—P1A—Ni1A | 110.94 (14) | C10C—C9C—P1C | 110.6 (3) |
| C9A—P1A—Ni1A | 113.81 (16) | C11C—C9C—P1C | 110.6 (3) |
| C6A—P2A—C2A | 103.1 (2) | C10C—C9C—H9C | 108.1 |
| C6A—P2A—C3A | 109.8 (2) | C11C—C9C—H9C | 108.1 |
| C2A—P2A—C3A | 106.0 (2) | P1C—C9C—H9C | 108.1 |
| C6A—P2A—Ni1A | 110.17 (14) | C9C—C10C—H10G | 109.5 |
| C2A—P2A—Ni1A | 109.42 (14) | C9C—C10C—H10H | 109.5 |
| C3A—P2A—Ni1A | 117.29 (15) | H10G—C10C—H10H | 109.5 |
| C2B—C1B—P1B | 110.2 (3) | C9C—C10C—H10I | 109.5 |
| C2B—C1B—H1B1 | 109.6 | H10G—C10C—H10I | 109.5 |
| P1B—C1B—H1B1 | 109.6 | H10H—C10C—H10I | 109.5 |
| C2B—C1B—H1B2 | 109.6 | C9C—C11C—H11G | 109.5 |
| P1B—C1B—H1B2 | 109.6 | C9C—C11C—H11H | 109.5 |
| H1B1—C1B—H1B2 | 108.1 | H11G—C11C—H11H | 109.5 |
| C1B—C2B—P2B | 108.3 (3) | C9C—C11C—H11I | 109.5 |
| C1B—C2B—H2B1 | 110 | H11G—C11C—H11I | 109.5 |
| P2B—C2B—H2B1 | 110 | H11H—C11C—H11I | 109.5 |
| C1B—C2B—H2B2 | 110 | C14C—C12C—C13C | 112.5 (4) |
| P2B—C2B—H2B2 | 110 | C14C—C12C—P1C | 113.4 (3) |
| H2B1—C2B—H2B2 | 108.4 | C13C—C12C—P1C | 110.0 (3) |
| C4B—C3B—C5B | 110.8 (4) | C14C—C12C—H12C | 106.8 |
| C4B—C3B—P2B | 109.6 (3) | C13C—C12C—H12C | 106.8 |
| C5B—C3B—P2B | 111.8 (3) | P1C—C12C—H12C | 106.8 |
| C4B—C3B—H3B | 108.2 | C12C—C13C—H13G | 109.5 |
| C5B—C3B—H3B | 108.2 | C12C—C13C—H13H | 109.5 |
| P2B—C3B—H3B | 108.2 | H13G—C13C—H13H | 109.5 |
| C3B—C4B—H4B1 | 109.5 | C12C—C13C—H13I | 109.5 |
| C3B—C4B—H4B2 | 109.5 | H13G—C13C—H13I | 109.5 |
| H4B1—C4B—H4B2 | 109.5 | H13H—C13C—H13I | 109.5 |
| C3B—C4B—H4B3 | 109.5 | C12C—C14C—H14G | 109.5 |
| H4B1—C4B—H4B3 | 109.5 | C12C—C14C—H14H | 109.5 |
| H4B2—C4B—H4B3 | 109.5 | H14G—C14C—H14H | 109.5 |
| C3B—C5B—H5B1 | 109.5 | C12C—C14C—H14I | 109.5 |
| C3B—C5B—H5B2 | 109.5 | H14G—C14C—H14I | 109.5 |
| H5B1—C5B—H5B2 | 109.5 | H14H—C14C—H14I | 109.5 |
| C3B—C5B—H5B3 | 109.5 | O3C—C15C—O2C | 124.9 (4) |
| H5B1—C5B—H5B3 | 109.5 | O3C—C15C—O1C | 124.6 (3) |
| H5B2—C5B—H5B3 | 109.5 | O2C—C15C—O1C | 110.5 (3) |
| C8B—C6B—C7B | 112.0 (3) | O3C—C15C—Ni1C | 177.9 (3) |
| C8B—C6B—P2B | 112.4 (3) | O2C—C15C—Ni1C | 55.01 (19) |
| C7B—C6B—P2B | 113.7 (3) | O1C—C15C—Ni1C | 55.54 (19) |
| C8B—C6B—H6B | 106 | O2C—Ni1C—O1C | 70.55 (11) |
| C7B—C6B—H6B | 106 | O2C—Ni1C—P2C | 99.18 (8) |
| P2B—C6B—H6B | 106 | O1C—Ni1C—P2C | 169.54 (9) |
| C6B—C7B—H7B1 | 109.5 | O2C—Ni1C—P1C | 172.35 (8) |
| C6B—C7B—H7B2 | 109.5 | O1C—Ni1C—P1C | 101.83 (9) |
| H7B1—C7B—H7B2 | 109.5 | P2C—Ni1C—P1C | 88.46 (4) |
| C6B—C7B—H7B3 | 109.5 | O2C—Ni1C—C15C | 35.16 (12) |
| H7B1—C7B—H7B3 | 109.5 | O1C—Ni1C—C15C | 35.40 (12) |
| H7B2—C7B—H7B3 | 109.5 | P2C—Ni1C—C15C | 134.25 (11) |
| C6B—C8B—H8B1 | 109.5 | P1C—Ni1C—C15C | 137.23 (11) |
| C6B—C8B—H8B2 | 109.5 | C15C—O1C—Ni1C | 89.1 (2) |
| H8B1—C8B—H8B2 | 109.5 | C15C—O2C—Ni1C | 89.8 (2) |
| C6B—C8B—H8B3 | 109.5 | C9C—P1C—C1C | 105.72 (19) |
| H8B1—C8B—H8B3 | 109.5 | C9C—P1C—C12C | 105.13 (19) |
| H8B2—C8B—H8B3 | 109.5 | C1C—P1C—C12C | 106.01 (19) |
| C11B—C9B—C10B | 110.5 (4) | C9C—P1C—Ni1C | 116.71 (14) |
| C11B—C9B—P1B | 110.3 (3) | C1C—P1C—Ni1C | 109.53 (14) |
| C10B—C9B—P1B | 111.4 (3) | C12C—P1C—Ni1C | 112.98 (14) |
| C11B—C9B—H9B | 108.2 | C2C—P2C—C3C | 106.6 (2) |
| C10B—C9B—H9B | 108.2 | C2C—P2C—C6C | 103.51 (19) |
| P1B—C9B—H9B | 108.2 | C3C—P2C—C6C | 109.25 (18) |
| C9B—C10B—H10D | 109.5 | C2C—P2C—Ni1C | 108.77 (13) |
| C9B—C10B—H10E | 109.5 | C3C—P2C—Ni1C | 113.61 (13) |
| H10D—C10B—H10E | 109.5 | C6C—P2C—Ni1C | 114.35 (13) |
| P1A—C1A—C2A—P2A | 37.1 (4) | P2B—Ni1B—P1B—C9B | −120.77 (16) |
| O3A—C15A—Ni1A—O1A | 68 (13) | C15B—Ni1B—P1B—C9B | 59.6 (2) |
| O2A—C15A—Ni1A—O1A | −179.5 (4) | O2B—Ni1B—P1B—C12B | −58.2 (6) |
| O3A—C15A—Ni1A—O2A | −112 (13) | O1B—Ni1B—P1B—C12B | −62.57 (18) |
| O1A—C15A—Ni1A—O2A | 179.5 (4) | P2B—Ni1B—P1B—C12B | 117.26 (16) |
| O3A—C15A—Ni1A—P1A | 65 (13) | C15B—Ni1B—P1B—C12B | −62.4 (2) |
| O2A—C15A—Ni1A—P1A | 177.52 (17) | O2B—Ni1B—P1B—C1B | −176.4 (6) |
| O1A—C15A—Ni1A—P1A | −2.9 (3) | O1B—Ni1B—P1B—C1B | 179.23 (17) |
| O3A—C15A—Ni1A—P2A | −106 (13) | P2B—Ni1B—P1B—C1B | −0.95 (15) |
| O2A—C15A—Ni1A—P2A | 5.7 (3) | C15B—Ni1B—P1B—C1B | 179.4 (2) |
| O1A—C15A—Ni1A—P2A | −174.78 (18) | C1B—C2B—P2B—C3B | −165.3 (3) |
| O3A—C15A—O1A—Ni1A | −178.3 (4) | C1B—C2B—P2B—C6B | 79.5 (3) |
| O2A—C15A—O1A—Ni1A | 0.4 (3) | C1B—C2B—P2B—Ni1B | −40.2 (3) |
| O2A—Ni1A—O1A—C15A | −0.3 (2) | C4B—C3B—P2B—C2B | 66.7 (3) |
| P1A—Ni1A—O1A—C15A | 177.8 (2) | C5B—C3B—P2B—C2B | −170.0 (3) |
| P2A—Ni1A—O1A—C15A | 28.0 (9) | C4B—C3B—P2B—C6B | 178.3 (3) |
| O3A—C15A—O2A—Ni1A | 178.3 (4) | C5B—C3B—P2B—C6B | −58.5 (4) |
| O1A—C15A—O2A—Ni1A | −0.4 (3) | C4B—C3B—P2B—Ni1B | −53.6 (3) |
| O1A—Ni1A—O2A—C15A | 0.3 (2) | C5B—C3B—P2B—Ni1B | 69.7 (3) |
| P1A—Ni1A—O2A—C15A | −9.3 (6) | C8B—C6B—P2B—C2B | −158.0 (3) |
| P2A—Ni1A—O2A—C15A | −176.1 (2) | C7B—C6B—P2B—C2B | 73.5 (3) |
| C13A—C12A—P1A—C1A | 71.3 (4) | C8B—C6B—P2B—C3B | 89.7 (3) |
| C14A—C12A—P1A—C1A | −53.2 (4) | C7B—C6B—P2B—C3B | −38.8 (3) |
| C13A—C12A—P1A—C9A | −174.7 (3) | C8B—C6B—P2B—Ni1B | −40.6 (3) |
| C14A—C12A—P1A—C9A | 60.8 (4) | C7B—C6B—P2B—Ni1B | −169.2 (2) |
| C13A—C12A—P1A—Ni1A | −50.1 (4) | O2B—Ni1B—P2B—C2B | −159.86 (17) |
| C14A—C12A—P1A—Ni1A | −174.5 (3) | O1B—Ni1B—P2B—C2B | −160.4 (6) |
| C2A—C1A—P1A—C12A | −147.5 (3) | P1B—Ni1B—P2B—C2B | 20.84 (15) |
| C2A—C1A—P1A—C9A | 98.8 (3) | C15B—Ni1B—P2B—C2B | −159.5 (2) |
| C2A—C1A—P1A—Ni1A | −25.9 (3) | O2B—Ni1B—P2B—C3B | −41.33 (17) |
| C10A—C9A—P1A—C12A | −176.3 (3) | O1B—Ni1B—P2B—C3B | −41.8 (7) |
| C11A—C9A—P1A—C12A | 59.6 (4) | P1B—Ni1B—P2B—C3B | 139.38 (15) |
| C10A—C9A—P1A—C1A | −62.3 (4) | C15B—Ni1B—P2B—C3B | −41.0 (2) |
| C11A—C9A—P1A—C1A | 173.6 (3) | O2B—Ni1B—P2B—C6B | 85.53 (16) |
| C10A—C9A—P1A—Ni1A | 60.5 (3) | O1B—Ni1B—P2B—C6B | 85.0 (7) |
| C11A—C9A—P1A—Ni1A | −63.6 (3) | P1B—Ni1B—P2B—C6B | −93.76 (14) |
| O1A—Ni1A—P1A—C12A | −53.44 (19) | C15B—Ni1B—P2B—C6B | 85.9 (2) |
| O2A—Ni1A—P1A—C12A | −44.3 (5) | P1C—C1C—C2C—P2C | 40.7 (3) |
| P2A—Ni1A—P1A—C12A | 122.83 (16) | O3C—C15C—Ni1C—O2C | 89 (9) |
| C15A—Ni1A—P1A—C12A | −51.7 (2) | O1C—C15C—Ni1C—O2C | −177.6 (4) |
| O1A—Ni1A—P1A—C1A | −172.34 (19) | O3C—C15C—Ni1C—O1C | −94 (9) |
| O2A—Ni1A—P1A—C1A | −163.2 (5) | O2C—C15C—Ni1C—O1C | 177.6 (4) |
| P2A—Ni1A—P1A—C1A | 3.92 (17) | O3C—C15C—Ni1C—P2C | 84 (9) |
| C15A—Ni1A—P1A—C1A | −170.6 (2) | O2C—C15C—Ni1C—P2C | −4.9 (3) |
| O1A—Ni1A—P1A—C9A | 67.01 (17) | O1C—C15C—Ni1C—P2C | 177.53 (16) |
| O2A—Ni1A—P1A—C9A | 76.1 (5) | O3C—C15C—Ni1C—P1C | −93 (9) |
| P2A—Ni1A—P1A—C9A | −116.72 (15) | O2C—C15C—Ni1C—P1C | 178.66 (16) |
| C15A—Ni1A—P1A—C9A | 68.7 (2) | O1C—C15C—Ni1C—P1C | 1.1 (3) |
| C8A—C6A—P2A—C2A | −163.5 (4) | O3C—C15C—O1C—Ni1C | 177.4 (4) |
| C7A—C6A—P2A—C2A | 67.0 (4) | O2C—C15C—O1C—Ni1C | −2.1 (3) |
| C8A—C6A—P2A—C3A | 83.8 (4) | O2C—Ni1C—O1C—C15C | 1.5 (2) |
| C7A—C6A—P2A—C3A | −45.6 (4) | P2C—Ni1C—O1C—C15C | −9.8 (6) |
| C8A—C6A—P2A—Ni1A | −46.8 (4) | P1C—Ni1C—O1C—C15C | −179.3 (2) |
| C7A—C6A—P2A—Ni1A | −176.3 (3) | O3C—C15C—O2C—Ni1C | −177.4 (4) |
| C1A—C2A—P2A—C6A | 82.8 (3) | O1C—C15C—O2C—Ni1C | 2.1 (3) |
| C1A—C2A—P2A—C3A | −161.8 (3) | O1C—Ni1C—O2C—C15C | −1.5 (2) |
| C1A—C2A—P2A—Ni1A | −34.4 (3) | P2C—Ni1C—O2C—C15C | 176.5 (2) |
| C5A—C3A—P2A—C6A | −62.3 (4) | P1C—Ni1C—O2C—C15C | −6.9 (8) |
| C4A—C3A—P2A—C6A | 173.7 (3) | C10C—C9C—P1C—C1C | −60.6 (3) |
| C5A—C3A—P2A—C2A | −173.0 (3) | C11C—C9C—P1C—C1C | 175.8 (3) |
| C4A—C3A—P2A—C2A | 63.0 (3) | C10C—C9C—P1C—C12C | −172.5 (3) |
| C5A—C3A—P2A—Ni1A | 64.4 (4) | C11C—C9C—P1C—C12C | 63.9 (3) |
| C4A—C3A—P2A—Ni1A | −59.5 (3) | C10C—C9C—P1C—Ni1C | 61.4 (3) |
| O1A—Ni1A—P2A—C6A | 52.5 (8) | C11C—C9C—P1C—Ni1C | −62.2 (3) |
| O2A—Ni1A—P2A—C6A | 79.8 (2) | C2C—C1C—P1C—C9C | 98.3 (3) |
| P1A—Ni1A—P2A—C6A | −97.68 (18) | C2C—C1C—P1C—C12C | −150.4 (3) |
| C15A—Ni1A—P2A—C6A | 76.4 (2) | C2C—C1C—P1C—Ni1C | −28.2 (3) |
| O1A—Ni1A—P2A—C2A | 165.2 (8) | C14C—C12C—P1C—C9C | 65.5 (3) |
| O2A—Ni1A—P2A—C2A | −167.56 (19) | C13C—C12C—P1C—C9C | −167.6 (3) |
| P1A—Ni1A—P2A—C2A | 14.98 (17) | C14C—C12C—P1C—C1C | −46.2 (3) |
| C15A—Ni1A—P2A—C2A | −170.9 (2) | C13C—C12C—P1C—C1C | 80.7 (3) |
| O1A—Ni1A—P2A—C3A | −74.1 (8) | C14C—C12C—P1C—Ni1C | −166.1 (3) |
| O2A—Ni1A—P2A—C3A | −46.8 (2) | C13C—C12C—P1C—Ni1C | −39.2 (3) |
| P1A—Ni1A—P2A—C3A | 135.75 (18) | O2C—Ni1C—P1C—C9C | 67.8 (7) |
| C15A—Ni1A—P2A—C3A | −50.1 (2) | O1C—Ni1C—P1C—C9C | 62.63 (18) |
| P1B—C1B—C2B—P2B | 39.2 (3) | P2C—Ni1C—P1C—C9C | −115.47 (16) |
| O3B—C15B—Ni1B—O2B | 102 (14) | C15C—Ni1C—P1C—C9C | 62.0 (2) |
| O1B—C15B—Ni1B—O2B | −179.2 (4) | O2C—Ni1C—P1C—C1C | −172.2 (7) |
| O3B—C15B—Ni1B—O1B | −79 (14) | O1C—Ni1C—P1C—C1C | −177.35 (17) |
| O2B—C15B—Ni1B—O1B | 179.2 (4) | P2C—Ni1C—P1C—C1C | 4.55 (15) |
| O3B—C15B—Ni1B—P2B | 101 (14) | C15C—Ni1C—P1C—C1C | −178.0 (2) |
| O2B—C15B—Ni1B—P2B | −0.6 (3) | O2C—Ni1C—P1C—C12C | −54.2 (7) |
| O1B—C15B—Ni1B—P2B | −179.80 (16) | O1C—Ni1C—P1C—C12C | −59.43 (17) |
| O3B—C15B—Ni1B—P1B | −79 (14) | P2C—Ni1C—P1C—C12C | 122.47 (15) |
| O2B—C15B—Ni1B—P1B | 178.89 (16) | C15C—Ni1C—P1C—C12C | −60.1 (2) |
| O1B—C15B—Ni1B—P1B | −0.4 (3) | C1C—C2C—P2C—C3C | −160.3 (3) |
| O3B—C15B—O1B—Ni1B | 178.3 (4) | C1C—C2C—P2C—C6C | 84.6 (3) |
| O2B—C15B—O1B—Ni1B | −0.7 (3) | C1C—C2C—P2C—Ni1C | −37.4 (3) |
| O2B—Ni1B—O1B—C15B | 0.5 (2) | C4C—C3C—P2C—C2C | 73.4 (3) |
| P2B—Ni1B—O1B—C15B | 1.0 (8) | C5C—C3C—P2C—C2C | −164.4 (3) |
| P1B—Ni1B—O1B—C15B | 179.7 (2) | C4C—C3C—P2C—C6C | −175.3 (3) |
| O3B—C15B—O2B—Ni1B | −178.3 (4) | C5C—C3C—P2C—C6C | −53.2 (3) |
| O1B—C15B—O2B—Ni1B | 0.7 (3) | C4C—C3C—P2C—Ni1C | −46.3 (3) |
| O1B—Ni1B—O2B—C15B | −0.5 (2) | C5C—C3C—P2C—Ni1C | 75.8 (3) |
| P2B—Ni1B—O2B—C15B | 179.6 (2) | C8C—C6C—P2C—C2C | −159.7 (3) |
| P1B—Ni1B—O2B—C15B | −5.0 (7) | C7C—C6C—P2C—C2C | 71.6 (3) |
| C11B—C9B—P1B—C12B | 179.1 (3) | C8C—C6C—P2C—C3C | 87.1 (3) |
| C10B—C9B—P1B—C12B | 56.0 (4) | C7C—C6C—P2C—C3C | −41.7 (4) |
| C11B—C9B—P1B—C1B | −68.2 (3) | C8C—C6C—P2C—Ni1C | −41.5 (4) |
| C10B—C9B—P1B—C1B | 168.7 (3) | C7C—C6C—P2C—Ni1C | −170.3 (3) |
| C11B—C9B—P1B—Ni1B | 53.7 (3) | O2C—Ni1C—P2C—C2C | −164.43 (17) |
| C10B—C9B—P1B—Ni1B | −69.4 (4) | O1C—Ni1C—P2C—C2C | −153.7 (5) |
| C13B—C12B—P1B—C9B | −175.1 (3) | P1C—Ni1C—P2C—C2C | 16.01 (15) |
| C14B—C12B—P1B—C9B | 59.1 (4) | C15C—Ni1C—P2C—C2C | −161.6 (2) |
| C13B—C12B—P1B—C1B | 71.8 (3) | O2C—Ni1C—P2C—C3C | −45.93 (17) |
| C14B—C12B—P1B—C1B | −54.0 (4) | O1C—Ni1C—P2C—C3C | −35.2 (6) |
| C13B—C12B—P1B—Ni1B | −48.8 (3) | P1C—Ni1C—P2C—C3C | 134.52 (15) |
| C14B—C12B—P1B—Ni1B | −174.6 (3) | C15C—Ni1C—P2C—C3C | −43.1 (2) |
| C2B—C1B—P1B—C9B | 101.0 (3) | O2C—Ni1C—P2C—C6C | 80.43 (18) |
| C2B—C1B—P1B—C12B | −145.9 (3) | O1C—Ni1C—P2C—C6C | 91.2 (5) |
| C2B—C1B—P1B—Ni1B | −23.5 (3) | P1C—Ni1C—P2C—C6C | −99.12 (16) |
| O2B—Ni1B—P1B—C9B | 63.8 (6) | C15C—Ni1C—P2C—C6C | 83.3 (2) |
| O1B—Ni1B—P1B—C9B | 59.40 (18) |
| H··· | ||||
| C5 | 0.98 | 2.7 | 3.670 (5) | 169 |
| C4 | 0.98 | 2.69 | 3.448 (5) | 134 |
| C8 | 0.98 | 2.71 | 3.595 (5) | 150 |
| C10 | 0.98 | 2.52 | 3.335 (5) | 141 |
| C1 | 0.99 | 2.23 | 3.204 (5) | 168 |
| C1 | 0.99 | 2.5 | 3.443 (5) | 159 |
| C9 | 1 | 2.48 | 3.455 (5) | 165 |
| C1 | 0.99 | 2.5 | 3.452 (5) | 161 |
| C6 | 1 | 2.6 | 3.516 (5) | 153 |
Selected bond lengths (Å)
| Ni1 | 1.879 (2) |
| Ni1 | 1.885 (3) |
| Ni1 | 2.1390 (12) |
| Ni1 | 2.1460 (11) |
| Ni1 | 1.887 (2) |
| Ni1 | 1.890 (3) |
| Ni1 | 2.1399 (12) |
| Ni1 | 2.1415 (11) |
| Ni1 | 1.877 (3) |
| Ni1 | 1.889 (2) |
| Ni1 | 2.1433 (10) |
| Ni1 | 2.1481 (12) |
Hydrogen-bond geometry (Å, °)
|
|
| H⋯ |
|
|
|---|---|---|---|---|
| C5 | 0.98 | 2.70 | 3.670 (5) | 169 |
| C4 | 0.98 | 2.69 | 3.448 (5) | 134 |
| C8 | 0.98 | 2.71 | 3.595 (5) | 150 |
| C10 | 0.98 | 2.52 | 3.335 (5) | 141 |
| C1 | 0.99 | 2.23 | 3.204 (5) | 168 |
| C1 | 0.99 | 2.50 | 3.443 (5) | 159 |
| C9 | 1.00 | 2.48 | 3.455 (5) | 165 |
| C1 | 0.99 | 2.50 | 3.452 (5) | 161 |
| C6 | 1.00 | 2.60 | 3.516 (5) | 153 |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) .