| x | y | z | Uiso*/Ueq | ||
| Ni1 | 0.68919 (7) | 0.31831 (3) | 0.21970 (5) | 0.0212 (2) | |
| Cl1 | 0.44166 (14) | 0.29800 (7) | 0.10697 (10) | 0.0306 (3) | |
| Cl2 | 0.67979 (15) | 0.43135 (7) | 0.23126 (10) | 0.0330 (3) | |
| P1 | 0.74240 (14) | 0.21070 (7) | 0.23889 (10) | 0.0211 (3) | |
| P2 | 0.93563 (14) | 0.31029 (7) | 0.31062 (10) | 0.0209 (3) | |
| N1 | 0.9378 (4) | 0.2224 (2) | 0.3110 (3) | 0.0218 (9) | |
| C1 | 0.6902 (5) | 0.1587 (3) | 0.1285 (4) | 0.0214 (10) | |
| C2 | 0.5479 (6) | 0.1242 (3) | 0.0752 (4) | 0.0268 (12) | |
| H2 | 0.4800 | 0.1259 | 0.0993 | 0.032* | |
| C3 | 0.5054 (6) | 0.0877 (3) | −0.0125 (4) | 0.0307 (12) | |
| H3 | 0.4084 | 0.0642 | −0.0485 | 0.037* | |
| C4 | 0.6052 (6) | 0.0851 (3) | −0.0485 (4) | 0.0315 (13) | |
| H4 | 0.5766 | 0.0594 | −0.1083 | 0.038* | |
| C5 | 0.7447 (6) | 0.1200 (3) | 0.0033 (4) | 0.0327 (13) | |
| H5 | 0.8123 | 0.1184 | −0.0211 | 0.039* | |
| C6 | 0.7874 (6) | 0.1573 (3) | 0.0906 (4) | 0.0262 (11) | |
| H6 | 0.8829 | 0.1821 | 0.1250 | 0.031* | |
| C7 | 0.6744 (5) | 0.1657 (3) | 0.3101 (4) | 0.0248 (11) | |
| C8 | 0.6334 (6) | 0.2064 (3) | 0.3666 (4) | 0.0333 (13) | |
| H8 | 0.6415 | 0.2554 | 0.3666 | 0.040* | |
| C9 | 0.5809 (7) | 0.1747 (4) | 0.4225 (4) | 0.0415 (16) | |
| H9 | 0.5494 | 0.2024 | 0.4588 | 0.050* | |
| C10 | 0.5737 (6) | 0.1036 (4) | 0.4260 (5) | 0.0435 (16) | |
| H10 | 0.5413 | 0.0825 | 0.4667 | 0.052* | |
| C11 | 0.6136 (6) | 0.0627 (3) | 0.3701 (4) | 0.0391 (15) | |
| H11 | 0.6056 | 0.0137 | 0.3711 | 0.047* | |
| C12 | 0.6652 (6) | 0.0932 (3) | 0.3127 (4) | 0.0295 (12) | |
| H12 | 0.6941 | 0.0652 | 0.2753 | 0.035* | |
| C13 | 1.0345 (6) | 0.3415 (3) | 0.2503 (4) | 0.0247 (11) | |
| C14 | 1.1920 (6) | 0.3300 (3) | 0.2929 (4) | 0.0317 (13) | |
| H14 | 1.2522 | 0.3079 | 0.3576 | 0.038* | |
| C15 | 1.2620 (6) | 0.3506 (3) | 0.2417 (4) | 0.0343 (13) | |
| H15 | 1.3699 | 0.3424 | 0.2713 | 0.041* | |
| C16 | 1.1762 (7) | 0.3828 (3) | 0.1482 (4) | 0.0364 (14) | |
| H16 | 1.2242 | 0.3960 | 0.1126 | 0.044* | |
| C17 | 1.0194 (7) | 0.3960 (3) | 0.1059 (5) | 0.0410 (15) | |
| H17 | 0.9608 | 0.4197 | 0.0425 | 0.049* | |
| C18 | 0.9484 (6) | 0.3747 (3) | 0.1559 (4) | 0.0321 (13) | |
| H18 | 0.8404 | 0.3828 | 0.1258 | 0.039* | |
| C19 | 1.0500 (5) | 0.3412 (3) | 0.4406 (4) | 0.0239 (11) | |
| C20 | 1.0872 (6) | 0.4110 (3) | 0.4589 (4) | 0.0265 (11) | |
| H20 | 1.0581 | 0.4413 | 0.4031 | 0.032* | |
| C21 | 1.1660 (6) | 0.4372 (3) | 0.5572 (4) | 0.0313 (12) | |
| H21 | 1.1881 | 0.4853 | 0.5686 | 0.038* | |
| C22 | 1.2134 (6) | 0.3926 (3) | 0.6401 (4) | 0.0291 (12) | |
| H22 | 1.2697 | 0.4101 | 0.7079 | 0.035* | |
| C23 | 1.1778 (6) | 0.3232 (3) | 0.6224 (4) | 0.0334 (13) | |
| H23 | 1.2114 | 0.2930 | 0.6789 | 0.040* | |
| C24 | 1.0937 (6) | 0.2961 (3) | 0.5239 (4) | 0.0283 (12) | |
| H24 | 1.0662 | 0.2485 | 0.5128 | 0.034* | |
| C25 | 1.0738 (6) | 0.1766 (3) | 0.3458 (4) | 0.0299 (12) | |
| H25A | 1.1635 | 0.1957 | 0.4097 | 0.036* | |
| H25B | 1.1010 | 0.1767 | 0.2936 | 0.036* | |
| C26 | 1.0480 (6) | 0.1034 (3) | 0.3647 (5) | 0.0347 (13) | |
| H26A | 0.9621 | 0.0829 | 0.3003 | 0.042* | |
| H26B | 1.0172 | 0.1027 | 0.4152 | 0.042* | |
| C27 | 1.1960 (6) | 0.0599 (3) | 0.4050 (4) | 0.0322 (13) | |
| H27A | 1.2205 | 0.0566 | 0.3522 | 0.048* | |
| H27B | 1.1791 | 0.0133 | 0.4224 | 0.048* | |
| H27C | 1.2828 | 0.0819 | 0.4661 | 0.048* |