| x | y | z | Uiso*/Ueq | ||
| P | 0.84901 (11) | 0.52095 (11) | 0.59850 (8) | 0.0398 (3) | |
| Cl1 | 0.4017 (2) | 0.3402 (3) | 0.12756 (12) | 0.1300 (8) | |
| Cl2 | 0.5672 (2) | 0.16627 (16) | 0.23126 (18) | 0.1108 (6) | |
| Cl3 | 0.65788 (18) | 0.91760 (16) | 0.50769 (15) | 0.0893 (5) | |
| Cl4 | 0.77087 (18) | 0.44836 (16) | 1.03178 (11) | 0.0804 (4) | |
| O1 | 1.0238 (3) | 0.5568 (3) | 0.6484 (2) | 0.0543 (7) | |
| O2 | 0.5072 (3) | 0.4115 (4) | 0.3908 (3) | 0.0670 (9) | |
| N1 | 0.7379 (4) | 0.4006 (4) | 0.6531 (3) | 0.0496 (8) | |
| H1 | 0.6627 | 0.3184 | 0.6048 | 0.059* | |
| N2 | 0.7656 (3) | 0.4413 (3) | 0.4495 (3) | 0.0427 (7) | |
| H2 | 0.8279 | 0.4239 | 0.4240 | 0.051* | |
| N3 | 0.8251 (4) | 0.6669 (3) | 0.6149 (3) | 0.0481 (8) | |
| H3 | 0.7538 | 0.6631 | 0.6405 | 0.058* | |
| C1 | 0.5775 (5) | 0.3419 (5) | 0.2368 (4) | 0.0512 (10) | |
| H1A | 0.6696 | 0.4058 | 0.2197 | 0.061* | |
| C2 | 0.6105 (4) | 0.4020 (4) | 0.3661 (3) | 0.0423 (8) | |
| C3 | 0.9204 (5) | 0.8049 (5) | 0.5877 (4) | 0.0611 (11) | |
| H3A | 1.0292 | 0.8142 | 0.6081 | 0.073* | |
| H3B | 0.9319 | 0.8859 | 0.6395 | 0.073* | |
| C4 | 0.8437 (5) | 0.8158 (4) | 0.4545 (4) | 0.0524 (10) | |
| C5 | 0.7214 (5) | 0.8603 (4) | 0.4084 (4) | 0.0560 (10) | |
| C6 | 0.6453 (6) | 0.8610 (5) | 0.2847 (5) | 0.0741 (14) | |
| H6 | 0.5635 | 0.8919 | 0.2570 | 0.089* | |
| C7 | 0.6907 (8) | 0.8161 (6) | 0.2034 (5) | 0.0846 (16) | |
| H7 | 0.6393 | 0.8155 | 0.1199 | 0.102* | |
| C8 | 0.8110 (8) | 0.7727 (6) | 0.2449 (5) | 0.0837 (16) | |
| H8 | 0.8424 | 0.7428 | 0.1897 | 0.100* | |
| C9 | 0.8878 (6) | 0.7724 (5) | 0.3692 (5) | 0.0678 (12) | |
| H9 | 0.9705 | 0.7425 | 0.3960 | 0.081* | |
| C10 | 0.7581 (5) | 0.4233 (5) | 0.7789 (4) | 0.0513 (10) | |
| H10A | 0.6585 | 0.4211 | 0.7776 | 0.062* | |
| H10B | 0.8462 | 0.5203 | 0.8215 | 0.062* | |
| C11 | 0.7950 (4) | 0.3128 (4) | 0.8509 (3) | 0.0458 (9) | |
| C12 | 0.8030 (5) | 0.3159 (5) | 0.9693 (4) | 0.0571 (11) | |
| C13 | 0.8391 (6) | 0.2189 (6) | 1.0401 (5) | 0.0745 (14) | |
| H13 | 0.8461 | 0.2247 | 1.1196 | 0.089* | |
| C14 | 0.8644 (7) | 0.1145 (7) | 0.9923 (6) | 0.0904 (17) | |
| H14 | 0.8875 | 0.0476 | 1.0391 | 0.108* | |
| C15 | 0.8562 (7) | 0.1062 (6) | 0.8740 (6) | 0.0893 (17) | |
| H15 | 0.8733 | 0.0343 | 0.8414 | 0.107* | |
| C16 | 0.8225 (6) | 0.2060 (5) | 0.8060 (5) | 0.0657 (12) | |
| H16 | 0.8182 | 0.2013 | 0.7273 | 0.079* |