| x | y | z | Uiso*/Ueq | ||
| N1 | 0.06494 (14) | 0.5513 (4) | 0.2268 (4) | 0.0433 (10) | |
| C1 | 0.14146 (17) | 0.4809 (5) | 0.2159 (4) | 0.0395 (11) | |
| C2 | 0.1556 (2) | 0.3036 (6) | 0.1426 (5) | 0.0447 (12) | |
| C3 | 0.22856 (19) | 0.2362 (5) | 0.1269 (4) | 0.0430 (13) | |
| C4 | 0.28449 (18) | 0.3555 (5) | 0.1893 (5) | 0.0444 (11) | |
| C5 | 0.2677 (2) | 0.5332 (6) | 0.2641 (5) | 0.0517 (14) | |
| C6 | 0.1959 (2) | 0.5966 (5) | 0.2776 (5) | 0.0467 (12) | |
| C7 | 0.2432 (3) | 0.0413 (6) | 0.0454 (6) | 0.0670 (19) | |
| C8 | 0.3636 (2) | 0.2894 (7) | 0.1744 (7) | 0.0693 (16) | |
| O1W | 0.0447 (3) | 0.8297 (5) | 0.4757 (4) | 0.0818 (13) | |
| Cl1 | 0.04002 (5) | 0.77733 (12) | 0.87943 (11) | 0.0507 (3) | |
| H1A | 0.06154 | 0.64300 | 0.30678 | 0.0650* | |
| H1B | 0.03559 | 0.45076 | 0.25217 | 0.0650* | |
| H1C | 0.05158 | 0.60253 | 0.12795 | 0.0650* | |
| H2 | 0.11712 | 0.22655 | 0.10264 | 0.0534* | |
| H5 | 0.30525 | 0.61175 | 0.30623 | 0.0620* | |
| H6 | 0.18505 | 0.71675 | 0.32834 | 0.0559* | |
| H7A | 0.27619 | 0.05896 | −0.04794 | 0.1007* | |
| H7B | 0.19792 | −0.01381 | 0.00532 | 0.1007* | |
| H7C | 0.26488 | −0.04643 | 0.12637 | 0.1007* | |
| H8A | 0.39537 | 0.39319 | 0.21227 | 0.1038* | |
| H8B | 0.37436 | 0.25867 | 0.05870 | 0.1038* | |
| H8C | 0.37112 | 0.17444 | 0.24296 | 0.1038* | |
| H1W | 0.046 (3) | 0.824 (9) | 0.576 (7) | 0.1038* | |
| H2W | 0.022 (3) | 0.927 (8) | 0.447 (7) | 0.1038* |