| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.30989 (3) | 0.41222 (3) | 0.90827 (3) | 0.03169 (9) | |
| O1 | 0.43630 (10) | 0.27410 (8) | 0.71560 (10) | 0.03148 (19) | |
| O2 | 0.99240 (9) | 0.34016 (9) | 0.56309 (9) | 0.03316 (19) | |
| N1 | 0.53618 (9) | 0.48405 (8) | 0.70583 (9) | 0.02160 (17) | |
| H1 | 0.5353 (17) | 0.5749 (9) | 0.7222 (16) | 0.034 (4)* | |
| C1 | 0.32272 (11) | 0.47958 (10) | 0.75260 (11) | 0.02423 (19) | |
| H1A | 0.226444 | 0.470886 | 0.667909 | 0.029* | |
| H1B | 0.348725 | 0.579198 | 0.767150 | 0.029* | |
| C2 | 0.43834 (11) | 0.40146 (10) | 0.72459 (10) | 0.02147 (19) | |
| C3 | 0.64850 (11) | 0.44121 (10) | 0.66649 (10) | 0.02036 (18) | |
| C4 | 0.63724 (11) | 0.32251 (10) | 0.58566 (11) | 0.02264 (19) | |
| H4 | 0.552126 | 0.265906 | 0.555512 | 0.027* | |
| C5 | 0.75029 (11) | 0.28609 (10) | 0.54860 (10) | 0.02332 (19) | |
| H5 | 0.742024 | 0.204773 | 0.493437 | 0.028* | |
| C6 | 0.87484 (11) | 0.36845 (11) | 0.59218 (11) | 0.02389 (19) | |
| C7 | 0.88452 (12) | 0.48995 (11) | 0.66987 (12) | 0.0275 (2) | |
| H7 | 0.968462 | 0.547843 | 0.697712 | 0.033* | |
| C8 | 0.77218 (12) | 0.52620 (10) | 0.70637 (11) | 0.0249 (2) | |
| H8 | 0.779097 | 0.609174 | 0.758744 | 0.030* | |
| C9 | 0.97987 (13) | 0.22369 (13) | 0.47330 (13) | 0.0325 (2) | |
| H9A | 1.070019 | 0.214361 | 0.460154 | 0.049* | |
| H9B | 0.896160 | 0.237045 | 0.379304 | 0.049* | |
| H9C | 0.964803 | 0.139514 | 0.518658 | 0.049* |