| x | y | z | Uiso*/Ueq | ||
| Cl1A | 0.46391 (11) | 0.7593 (6) | 0.94032 (9) | 0.0625 (6) | |
| Cl2A | 0.31181 (11) | 0.9079 (6) | 0.65527 (9) | 0.0630 (6) | |
| N1A | 0.5405 (3) | 0.4243 (18) | 0.7726 (3) | 0.0560 (15) | |
| C2A | 0.5808 (4) | 0.369 (2) | 0.8223 (4) | 0.0544 (18) | |
| H2AA | 0.6274 | 0.2581 | 0.8219 | 0.065* | |
| C3A | 0.5587 (4) | 0.467 (2) | 0.8763 (4) | 0.0560 (18) | |
| H3AA | 0.5892 | 0.4193 | 0.9108 | 0.067* | |
| C4A | 0.4924 (4) | 0.6317 (19) | 0.8765 (3) | 0.0501 (16) | |
| C5A | 0.3766 (4) | 0.8694 (19) | 0.8220 (4) | 0.0544 (18) | |
| H5AA | 0.3579 | 0.9425 | 0.8560 | 0.065* | |
| C6A | 0.3371 (4) | 0.9282 (19) | 0.7711 (4) | 0.0517 (17) | |
| H6AA | 0.2906 | 1.0420 | 0.7694 | 0.062* | |
| C7A | 0.3646 (4) | 0.822 (2) | 0.7200 (4) | 0.0541 (18) | |
| C8A | 0.4305 (4) | 0.652 (2) | 0.7206 (4) | 0.0531 (17) | |
| H8AA | 0.4475 | 0.5771 | 0.6860 | 0.064* | |
| C9A | 0.4735 (4) | 0.5904 (19) | 0.7737 (4) | 0.0506 (16) | |
| C10A | 0.4461 (4) | 0.6984 (18) | 0.8250 (3) | 0.0498 (16) | |
| Cl1B | 0.50197 (10) | 0.9725 (5) | 0.58983 (9) | 0.0589 (6) | |
| Cl2B | 0.80689 (11) | 0.2033 (5) | 0.48184 (10) | 0.0625 (6) | |
| N1B | 0.7313 (3) | 0.6479 (18) | 0.6687 (3) | 0.0559 (16) | |
| C2B | 0.6835 (4) | 0.802 (2) | 0.6981 (4) | 0.0569 (18) | |
| H2BA | 0.6984 | 0.8463 | 0.7373 | 0.068* | |
| C3B | 0.6115 (4) | 0.908 (2) | 0.6755 (4) | 0.0527 (17) | |
| H3BA | 0.5797 | 1.0195 | 0.6991 | 0.063* | |
| C4B | 0.5891 (4) | 0.848 (2) | 0.6205 (4) | 0.0528 (17) | |
| C5B | 0.6209 (4) | 0.615 (2) | 0.5258 (4) | 0.0559 (19) | |
| H5BA | 0.5730 | 0.6680 | 0.5077 | 0.067* | |
| C6B | 0.6720 (4) | 0.472 (2) | 0.4941 (4) | 0.0539 (17) | |
| H6BA | 0.6609 | 0.4309 | 0.4544 | 0.065* | |
| C7B | 0.7417 (4) | 0.388 (2) | 0.5232 (4) | 0.0565 (19) | |
| C8B | 0.7602 (4) | 0.439 (2) | 0.5800 (4) | 0.0527 (17) | |
| H8BA | 0.8074 | 0.3700 | 0.5978 | 0.063* | |
| C9B | 0.7092 (4) | 0.5951 (19) | 0.6121 (3) | 0.0483 (16) | |
| C10B | 0.6378 (4) | 0.6840 (19) | 0.5843 (4) | 0.0526 (17) |