| x | y | z | Uiso*/Ueq | ||
| Cl1A | 0.30558 (2) | 0.69571 (4) | 0.08421 (3) | 0.02990 (11) | |
| C1A | 0.35616 (5) | 0.64904 (15) | 0.20984 (13) | 0.0213 (3) | |
| C2A | 0.39856 (5) | 0.73741 (15) | 0.23346 (13) | 0.0227 (3) | |
| H2A | 0.400392 | 0.819329 | 0.181667 | 0.027* | |
| C3A | 0.43825 (5) | 0.70121 (14) | 0.33594 (13) | 0.0224 (3) | |
| H3A | 0.466935 | 0.759394 | 0.351988 | 0.027* | |
| C4A | 0.43591 (5) | 0.57952 (14) | 0.41510 (13) | 0.0202 (3) | |
| C5A | 0.39306 (5) | 0.49193 (14) | 0.38683 (13) | 0.0224 (3) | |
| H5A | 0.391223 | 0.409246 | 0.437578 | 0.027* | |
| C6A | 0.35314 (5) | 0.52569 (15) | 0.28454 (13) | 0.0237 (3) | |
| H6A | 0.324808 | 0.466334 | 0.266505 | 0.028* | |
| C7A | 0.47884 (5) | 0.54105 (15) | 0.52636 (13) | 0.0236 (3) | |
| H7A1 | 0.465754 | 0.482765 | 0.592893 | 0.028* | |
| H7A2 | 0.492801 | 0.628077 | 0.570743 | 0.028* | |
| Cl1B | 0.44971 (2) | 0.90465 (4) | 0.91449 (4) | 0.03360 (12) | |
| C1B | 0.39561 (5) | 0.87925 (14) | 0.79317 (14) | 0.0229 (3) | |
| C2B | 0.34836 (6) | 0.90808 (15) | 0.82606 (14) | 0.0271 (3) | |
| H2B | 0.345284 | 0.938736 | 0.912478 | 0.033* | |
| C3B | 0.30571 (5) | 0.89060 (15) | 0.72836 (15) | 0.0274 (3) | |
| H3B | 0.273843 | 0.910620 | 0.749858 | 0.033* | |
| C4B | 0.30929 (5) | 0.84387 (14) | 0.59888 (13) | 0.0223 (3) | |
| C5B | 0.35742 (5) | 0.81356 (15) | 0.56992 (14) | 0.0254 (3) | |
| H5B | 0.360595 | 0.780451 | 0.484341 | 0.031* | |
| C6B | 0.40064 (5) | 0.83161 (15) | 0.66564 (14) | 0.0258 (3) | |
| H6B | 0.432599 | 0.811998 | 0.644554 | 0.031* | |
| C7B | 0.26239 (5) | 0.82320 (15) | 0.49401 (15) | 0.0272 (3) | |
| H7B1 | 0.271471 | 0.832325 | 0.404772 | 0.033* | |
| H7B2 | 0.238029 | 0.898025 | 0.504017 | 0.033* |