| x | y | z | Uiso*/Ueq | ||
| Cr | 0.26094 (2) | 0.66145 (3) | 0.46117 (2) | 0.02544 (11) | |
| O4 | 0.14551 (9) | 0.92201 (13) | 0.36838 (12) | 0.0342 (3) | |
| O2 | 0.34181 (9) | 0.94502 (13) | 0.57992 (12) | 0.0333 (3) | |
| O1 | 0.36182 (9) | 0.77547 (14) | 0.50418 (12) | 0.0345 (3) | |
| O5 | 0.28145 (10) | 0.47338 (14) | 0.38969 (12) | 0.0372 (3) | |
| O3 | 0.16586 (9) | 0.75243 (13) | 0.29340 (11) | 0.0323 (3) | |
| C1 | 0.38244 (12) | 0.8921 (2) | 0.55545 (16) | 0.0318 (4) | |
| C7 | 0.2675 (2) | 0.2300 (2) | 0.3690 (3) | 0.0598 (7) | |
| H7A | 0.256700 | 0.153198 | 0.399458 | 0.072* | |
| H7B | 0.302134 | 0.193893 | 0.352458 | 0.072* | |
| C4 | 0.05644 (14) | 0.9286 (2) | 0.15474 (18) | 0.0437 (5) | |
| H4A | 0.028412 | 1.008695 | 0.156494 | 0.065* | |
| H4B | 0.008049 | 0.860582 | 0.094730 | 0.065* | |
| H4C | 0.086525 | 0.959150 | 0.130761 | 0.065* | |
| C6 | 0.17708 (19) | 0.2950 (3) | 0.2548 (2) | 0.0557 (6) | |
| H6A | 0.149691 | 0.245473 | 0.179140 | 0.067* | |
| H6B | 0.131657 | 0.296526 | 0.258606 | 0.067* | |
| C2 | 0.46056 (14) | 0.9713 (2) | 0.5899 (2) | 0.0447 (5) | |
| H2A | 0.451210 | 1.070872 | 0.590081 | 0.067* | |
| H2B | 0.461851 | 0.951885 | 0.529713 | 0.067* | |
| H2C | 0.519618 | 0.942836 | 0.672441 | 0.067* | |
| C5 | 0.20714 (15) | 0.4391 (2) | 0.25966 (19) | 0.0396 (4) | |
| H5A | 0.229504 | 0.441548 | 0.221381 | 0.048* | |
| H5B | 0.154969 | 0.505239 | 0.215539 | 0.048* | |
| C3 | 0.12762 (12) | 0.86336 (19) | 0.28110 (16) | 0.0296 (4) | |
| C8 | 0.31894 (19) | 0.3462 (2) | 0.4601 (2) | 0.0537 (6) | |
| H8A | 0.310317 | 0.343141 | 0.514527 | 0.064* | |
| H8B | 0.386159 | 0.339342 | 0.512128 | 0.064* |