| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.64197 (3) | 0.18131 (2) | 0.50159 (7) | 0.0609 (2) | |
| Cl2 | 0.53878 (2) | 0.16505 (2) | 0.39238 (6) | 0.05182 (19) | |
| Cl3 | 0.51735 (2) | 0.05095 (2) | 0.39790 (6) | 0.04926 (18) | |
| Cl4 | 0.60427 (3) | −0.00099 (2) | 0.52552 (7) | 0.0560 (2) | |
| Cl5 | 0.68772 (2) | 0.07881 (3) | 0.59849 (7) | 0.0604 (2) | |
| Cl6 | 0.65299 (2) | 0.08158 (2) | 0.33757 (6) | 0.05024 (19) | |
| O1 | 0.55317 (7) | 0.18699 (7) | 0.73520 (19) | 0.0638 (6) | |
| O2 | 0.51935 (7) | 0.03730 (7) | 0.74848 (17) | 0.0583 (5) | |
| O3 | 0.29789 (7) | 0.07109 (6) | 0.78565 (19) | 0.0606 (5) | |
| O4 | 0.26332 (6) | 0.14834 (6) | 0.75279 (18) | 0.0512 (5) | |
| N1 | 0.52660 (7) | 0.11436 (8) | 0.74800 (18) | 0.0436 (5) | |
| C1 | 0.55897 (9) | 0.14695 (10) | 0.7253 (2) | 0.0452 (6) | |
| C2 | 0.60172 (8) | 0.12358 (8) | 0.6826 (2) | 0.0374 (6) | |
| H2 | 0.627206 | 0.131273 | 0.739349 | 0.045* | |
| C3 | 0.59071 (7) | 0.07269 (8) | 0.6881 (2) | 0.0345 (5) | |
| H3 | 0.610647 | 0.056594 | 0.748616 | 0.041* | |
| C4 | 0.54179 (9) | 0.07055 (10) | 0.7313 (2) | 0.0419 (6) | |
| C5 | 0.59788 (8) | 0.05717 (7) | 0.5446 (2) | 0.0321 (5) | |
| C6 | 0.63858 (7) | 0.08698 (9) | 0.5043 (2) | 0.0359 (6) | |
| C7 | 0.61330 (8) | 0.13120 (8) | 0.5366 (2) | 0.0353 (5) | |
| C8 | 0.57030 (7) | 0.12315 (8) | 0.45795 (19) | 0.0304 (5) | |
| C9 | 0.56157 (7) | 0.07940 (8) | 0.46217 (19) | 0.0291 (5) | |
| C10 | 0.47983 (9) | 0.12501 (11) | 0.7835 (2) | 0.0561 (8) | |
| H10A | 0.478774 | 0.154042 | 0.827179 | 0.067* | |
| H10B | 0.468475 | 0.102335 | 0.843401 | 0.067* | |
| C11 | 0.45025 (10) | 0.12635 (15) | 0.6621 (3) | 0.0885 (13) | |
| H11A | 0.460751 | 0.150372 | 0.605383 | 0.106* | |
| H11B | 0.453546 | 0.098090 | 0.615245 | 0.106* | |
| C12 | 0.40091 (10) | 0.13382 (14) | 0.6918 (3) | 0.0630 (9) | |
| C13 | 0.37364 (10) | 0.09809 (11) | 0.7279 (2) | 0.0580 (8) | |
| H13 | 0.386380 | 0.069607 | 0.737894 | 0.070* | |
| C14 | 0.32777 (9) | 0.10361 (9) | 0.7495 (2) | 0.0439 (6) | |
| C15 | 0.30858 (8) | 0.14660 (9) | 0.7326 (2) | 0.0396 (6) | |
| C16 | 0.33546 (9) | 0.18220 (10) | 0.6993 (2) | 0.0519 (7) | |
| H16 | 0.322956 | 0.210806 | 0.689646 | 0.062* | |
| C17 | 0.38163 (10) | 0.17583 (13) | 0.6796 (3) | 0.0641 (9) | |
| H17 | 0.399661 | 0.200407 | 0.657959 | 0.077* | |
| C18 | 0.31333 (14) | 0.02580 (11) | 0.7890 (4) | 0.0954 (13) | |
| H18A | 0.323689 | 0.017167 | 0.703745 | 0.143* | |
| H18B | 0.289057 | 0.006337 | 0.815147 | 0.143* | |
| H18C | 0.337711 | 0.023232 | 0.850281 | 0.143* | |
| C19 | 0.24021 (10) | 0.18878 (10) | 0.7231 (3) | 0.0670 (9) | |
| H19A | 0.249922 | 0.212192 | 0.781535 | 0.101* | |
| H19B | 0.208313 | 0.184150 | 0.732920 | 0.101* | |
| H19C | 0.246680 | 0.197481 | 0.634816 | 0.101* |