| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| Cl1 | 0.14614 (7) | 0.31116 (6) | 0.46678 (5) | 0.0613 (2) | |
| Cl2 | 0.34568 (7) | −0.30520 (8) | 0.66465 (4) | 0.0699 (2) | |
| O1 | −0.31523 (16) | 0.47023 (16) | −0.11702 (10) | 0.0495 (4) | |
| O2 | −0.35921 (16) | 0.36164 (19) | 0.06779 (10) | 0.0561 (4) | |
| N1 | 0.24397 (17) | 0.05365 (17) | 0.13189 (12) | 0.0410 (4) | |
| C1 | −0.2595 (2) | 0.3841 (2) | −0.03090 (13) | 0.0380 (5) | |
| C2 | −0.0681 (2) | 0.30632 (19) | −0.04703 (13) | 0.0366 (5) | |
| C3 | 0.0469 (2) | 0.3230 (2) | −0.15456 (14) | 0.0428 (5) | |
| C4 | 0.2252 (2) | 0.2494 (2) | −0.16592 (15) | 0.0473 (5) | |
| C5 | 0.2899 (2) | 0.1604 (2) | −0.07207 (15) | 0.0447 (5) | |
| C6 | 0.1764 (2) | 0.14779 (19) | 0.03695 (14) | 0.0378 (5) | |
| C7 | −0.0034 (2) | 0.21942 (19) | 0.04811 (13) | 0.0376 (5) | |
| C8 | 0.2038 (2) | 0.1171 (2) | 0.23329 (14) | 0.0409 (5) | |
| C9 | 0.24798 (19) | 0.0188 (2) | 0.33878 (14) | 0.0377 (5) | |
| C10 | 0.2208 (2) | 0.0909 (2) | 0.44960 (14) | 0.0407 (5) | |
| C11 | 0.2511 (2) | −0.0074 (2) | 0.54930 (14) | 0.0462 (6) | |
| C12 | 0.3130 (2) | −0.1807 (2) | 0.53859 (14) | 0.0457 (5) | |
| C13 | 0.3461 (2) | −0.2580 (2) | 0.43038 (15) | 0.0454 (5) | |
| C14 | 0.3120 (2) | −0.1581 (2) | 0.33285 (14) | 0.0413 (5) | |
| H1 | −0.42024 | 0.51169 | −0.09627 | 0.0594* | 0.500 |
| H2 | −0.45884 | 0.41608 | 0.06763 | 0.0674* | 0.500 |
| H3 | 0.00466 | 0.38291 | −0.21822 | 0.0514* | |
| H4 | 0.30252 | 0.26012 | −0.23786 | 0.0568* | |
| H5 | 0.40898 | 0.10905 | −0.08158 | 0.0536* | |
| H7 | −0.08095 | 0.20897 | 0.11998 | 0.0450* | |
| H8 | 0.14485 | 0.22894 | 0.24079 | 0.0491* | |
| H11 | 0.23000 | 0.04301 | 0.62242 | 0.0555* | |
| H13 | 0.39052 | −0.37508 | 0.42399 | 0.0545* | |
| H14 | 0.33213 | −0.21006 | 0.26025 | 0.0496* |