| x | y | z | Uiso*/Ueq | ||
| Ni1 | 0.67356 (2) | 0.70309 (2) | 0.69948 (3) | 0.03734 (10) | |
| Cl1 | 0.68036 (2) | 0.49257 (2) | 1.08616 (9) | 0.06233 (19) | |
| O1 | 0.71130 (5) | 0.74129 (5) | 0.5847 (2) | 0.0506 (4) | |
| O2 | 0.63727 (4) | 0.66083 (5) | 0.7940 (2) | 0.0468 (4) | |
| O3 | 0.86943 (7) | 0.82096 (6) | 0.1939 (3) | 0.0818 (6) | |
| N1 | 0.75900 (5) | 0.68423 (6) | 0.6093 (2) | 0.0444 (4) | |
| N2 | 0.72374 (5) | 0.66565 (5) | 0.6917 (2) | 0.0407 (4) | |
| N3 | 0.62734 (6) | 0.74687 (6) | 0.6931 (2) | 0.0469 (4) | |
| N4 | 0.59505 (7) | 0.80650 (7) | 0.6168 (3) | 0.0573 (5) | |
| H4 | 0.5865 (10) | 0.8318 (11) | 0.566 (4) | 0.100 (11)* | |
| C1 | 0.69302 (6) | 0.60618 (6) | 0.8443 (3) | 0.0395 (5) | |
| C2 | 0.70039 (8) | 0.56518 (7) | 0.9178 (3) | 0.0468 (5) | |
| H2 | 0.728018 | 0.553255 | 0.912614 | 0.056* | |
| C3 | 0.66852 (8) | 0.54265 (7) | 0.9955 (3) | 0.0471 (5) | |
| C4 | 0.62689 (8) | 0.55887 (7) | 1.0092 (3) | 0.0494 (5) | |
| H4A | 0.605335 | 0.543496 | 1.064097 | 0.059* | |
| C5 | 0.61852 (7) | 0.59863 (7) | 0.9385 (3) | 0.0478 (5) | |
| H5 | 0.590670 | 0.609875 | 0.946780 | 0.057* | |
| C6 | 0.64995 (7) | 0.62290 (7) | 0.8548 (3) | 0.0406 (5) | |
| C7 | 0.72926 (7) | 0.62824 (7) | 0.7636 (3) | 0.0418 (5) | |
| C8 | 0.77365 (8) | 0.60794 (9) | 0.7632 (4) | 0.0637 (7) | |
| H8A | 0.772858 | 0.581362 | 0.701572 | 0.095* | |
| H8B | 0.782430 | 0.602062 | 0.875021 | 0.095* | |
| H8C | 0.793945 | 0.627451 | 0.712772 | 0.095* | |
| C9 | 0.74864 (7) | 0.72329 (7) | 0.5599 (3) | 0.0430 (5) | |
| C10 | 0.78074 (7) | 0.74904 (7) | 0.4658 (3) | 0.0436 (5) | |
| C11 | 0.82214 (7) | 0.73375 (8) | 0.4304 (3) | 0.0512 (6) | |
| H11 | 0.830661 | 0.706668 | 0.468830 | 0.061* | |
| C12 | 0.85065 (8) | 0.75850 (8) | 0.3386 (3) | 0.0585 (6) | |
| H12 | 0.878025 | 0.747719 | 0.313970 | 0.070* | |
| C13 | 0.83883 (8) | 0.79913 (8) | 0.2832 (3) | 0.0544 (6) | |
| C14 | 0.79796 (8) | 0.81495 (8) | 0.3173 (3) | 0.0531 (6) | |
| H14 | 0.789633 | 0.842107 | 0.279077 | 0.064* | |
| C15 | 0.76968 (7) | 0.79008 (7) | 0.4085 (3) | 0.0487 (5) | |
| H15 | 0.742350 | 0.801047 | 0.432655 | 0.058* | |
| C16 | 0.85944 (10) | 0.86421 (8) | 0.1450 (4) | 0.0709 (8) | |
| H16A | 0.836204 | 0.863811 | 0.066026 | 0.106* | |
| H16B | 0.884538 | 0.877267 | 0.095671 | 0.106* | |
| H16C | 0.850860 | 0.880669 | 0.240361 | 0.106* | |
| C17 | 0.58978 (7) | 0.75137 (7) | 0.7827 (3) | 0.0517 (6) | |
| H17 | 0.579704 | 0.732134 | 0.862486 | 0.062* | |
| C18 | 0.56989 (8) | 0.78836 (8) | 0.7357 (4) | 0.0587 (6) | |
| H18 | 0.543965 | 0.799272 | 0.776902 | 0.070* | |
| C19 | 0.62897 (8) | 0.78101 (7) | 0.5950 (3) | 0.0527 (6) | |
| H19 | 0.651171 | 0.786450 | 0.519968 | 0.063* |