| x | y | z | Uiso*/Ueq | ||
| Co | 0.75262 (3) | 0.48488 (3) | 0.01742 (6) | 0.03927 (16) | |
| Cl1 | 0.66040 (7) | 0.47789 (7) | −0.20888 (12) | 0.0475 (3) | |
| Cl2 | 0.64020 (8) | 0.48540 (8) | 0.20135 (13) | 0.0580 (3) | |
| Cl3 | 0.85951 (8) | 0.60044 (7) | 0.05556 (14) | 0.0580 (3) | |
| Cl4 | 0.84305 (8) | 0.35504 (7) | 0.03059 (15) | 0.0690 (4) | |
| Cl5 | 0.83772 (8) | 0.37281 (8) | 0.53616 (14) | 0.0646 (3) | |
| Cl6 | 0.68358 (8) | 0.75291 (9) | 0.29194 (14) | 0.0672 (4) | |
| N1 | 0.9792 (2) | 0.7278 (2) | 0.7188 (4) | 0.0616 (11) | |
| H1A | 1.0247 | 0.7306 | 0.7912 | 0.074* | |
| H1B | 0.9565 | 0.7762 | 0.6768 | 0.074* | |
| N2 | 0.9798 (2) | 0.5740 (2) | 0.7372 (4) | 0.0430 (8) | |
| HN2 | 1.0261 | 0.5790 | 0.8078 | 0.052* | |
| N3 | 0.4647 (2) | 0.8197 (2) | 0.5514 (4) | 0.0444 (8) | |
| HN3 | 0.4394 | 0.8686 | 0.5834 | 0.053* | |
| N4 | 0.3491 (2) | 0.7428 (2) | 0.6902 (4) | 0.0557 (9) | |
| H4A | 0.3264 | 0.7931 | 0.7210 | 0.067* | |
| H4B | 0.3233 | 0.6935 | 0.7195 | 0.067* | |
| C1 | 0.8770 (3) | 0.4802 (3) | 0.5868 (5) | 0.0427 (9) | |
| C2 | 0.8694 (3) | 0.6385 (3) | 0.5537 (5) | 0.0498 (11) | |
| H2 | 0.8425 | 0.6887 | 0.5045 | 0.060* | |
| C3 | 0.8370 (3) | 0.5557 (3) | 0.5125 (5) | 0.0503 (11) | |
| H3 | 0.7880 | 0.5492 | 0.4346 | 0.060* | |
| C4 | 0.9472 (3) | 0.4907 (2) | 0.6989 (5) | 0.0458 (10) | |
| H4 | 0.9736 | 0.4411 | 0.7504 | 0.055* | |
| C5 | 0.9440 (3) | 0.6484 (2) | 0.6714 (5) | 0.0418 (9) | |
| C6 | 0.5837 (3) | 0.7483 (3) | 0.4092 (4) | 0.0451 (10) | |
| C7 | 0.5437 (3) | 0.6658 (3) | 0.4521 (5) | 0.0550 (11) | |
| H7 | 0.5707 | 0.6129 | 0.4168 | 0.066* | |
| C8 | 0.4669 (3) | 0.6625 (3) | 0.5436 (5) | 0.0536 (11) | |
| H8 | 0.4413 | 0.6075 | 0.5720 | 0.064* | |
| C9 | 0.4253 (3) | 0.7413 (3) | 0.5959 (4) | 0.0444 (10) | |
| C10 | 0.5418 (3) | 0.8250 (3) | 0.4591 (4) | 0.0433 (9) | |
| H10 | 0.5659 | 0.8804 | 0.4301 | 0.052* |