| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.66364 (6) | 0.562338 (15) | 0.52580 (5) | 0.03982 (12) | |
| Cl2 | 0.28455 (5) | 0.723630 (17) | 0.06158 (5) | 0.03924 (12) | |
| O1 | 0.77275 (17) | 0.82495 (4) | 0.34242 (14) | 0.0369 (3) | |
| O2 | 0.84369 (18) | 0.92793 (5) | 0.45517 (16) | 0.0431 (3) | |
| H2A | 0.809 (3) | 0.8981 (10) | 0.383 (3) | 0.065* | |
| N1 | 0.72285 (16) | 0.76179 (5) | 0.53258 (15) | 0.0239 (2) | |
| H1 | 0.720 (2) | 0.7541 (7) | 0.636 (2) | 0.029* | |
| N2 | 0.63961 (16) | 0.72631 (5) | 0.39193 (15) | 0.0233 (2) | |
| C1 | 0.9163 (2) | 0.90454 (6) | 0.6187 (2) | 0.0308 (3) | |
| C2 | 1.0154 (2) | 0.93943 (7) | 0.7591 (2) | 0.0383 (4) | |
| H2 | 1.0262 | 0.9784 | 0.7396 | 0.046* | |
| C3 | 1.0976 (2) | 0.91717 (7) | 0.9261 (2) | 0.0409 (4) | |
| H3 | 1.1648 | 0.9411 | 1.0215 | 0.049* | |
| C4 | 1.0837 (2) | 0.86024 (7) | 0.9572 (2) | 0.0374 (4) | |
| H4 | 1.1431 | 0.8452 | 1.0723 | 0.045* | |
| C5 | 0.9828 (2) | 0.82576 (6) | 0.81912 (18) | 0.0281 (3) | |
| H5 | 0.9726 | 0.7869 | 0.8404 | 0.034* | |
| C6 | 0.89542 (19) | 0.84719 (6) | 0.64844 (18) | 0.0246 (3) | |
| C7 | 0.79269 (19) | 0.81097 (6) | 0.49710 (18) | 0.0246 (3) | |
| C8 | 0.56322 (19) | 0.68201 (6) | 0.42645 (18) | 0.0242 (3) | |
| H8 | 0.562 (2) | 0.6739 (7) | 0.542 (2) | 0.029* | |
| C9 | 0.47973 (19) | 0.64095 (6) | 0.28383 (17) | 0.0252 (3) | |
| C10 | 0.5196 (2) | 0.58369 (6) | 0.31608 (19) | 0.0286 (3) | |
| C11 | 0.4494 (2) | 0.54288 (7) | 0.1881 (2) | 0.0379 (4) | |
| H11 | 0.4807 | 0.5045 | 0.2145 | 0.045* | |
| C12 | 0.3331 (3) | 0.55883 (8) | 0.0214 (2) | 0.0439 (4) | |
| H12 | 0.2849 | 0.5313 | −0.0681 | 0.053* | |
| C13 | 0.2862 (2) | 0.61464 (8) | −0.0162 (2) | 0.0406 (4) | |
| H13 | 0.2048 | 0.6254 | −0.1307 | 0.049* | |
| C14 | 0.3588 (2) | 0.65488 (6) | 0.11426 (19) | 0.0297 (3) |