| x | y | z | Uiso*/Ueq | ||
| O1 | −0.2159 (4) | 0.55290 (16) | 0.45189 (9) | 0.0564 (6) | |
| O2 | −0.4196 (4) | 0.37432 (18) | 0.46474 (10) | 0.0687 (7) | |
| O3 | −0.2679 (5) | 0.0034 (2) | 0.44062 (11) | 0.0841 (9) | |
| O4 | 0.0612 (4) | 0.13111 (19) | 0.46215 (11) | 0.0771 (8) | |
| O5 | 0.6191 (4) | 0.16520 (18) | 0.15123 (9) | 0.0627 (7) | |
| C1 | −0.2519 (5) | 0.4369 (2) | 0.43791 (11) | 0.0464 (7) | |
| C2 | −0.0718 (5) | 0.3943 (2) | 0.38696 (11) | 0.0440 (7) | |
| C3 | −0.0755 (4) | 0.2846 (2) | 0.35786 (11) | 0.0405 (7) | |
| C4 | −0.2604 (4) | 0.1838 (2) | 0.37974 (12) | 0.0445 (7) | |
| C5 | −0.1392 (5) | 0.1029 (2) | 0.43137 (11) | 0.0434 (7) | |
| C6 | 0.1041 (4) | 0.2562 (2) | 0.30272 (11) | 0.0402 (7) | |
| C7 | 0.1417 (5) | 0.1368 (2) | 0.28065 (12) | 0.0490 (8) | |
| C8 | 0.3102 (5) | 0.1101 (2) | 0.23008 (13) | 0.0533 (8) | |
| C9 | 0.4516 (5) | 0.2015 (2) | 0.19929 (12) | 0.0479 (8) | |
| C10 | 0.4146 (5) | 0.3214 (2) | 0.21898 (13) | 0.0517 (8) | |
| C11 | 0.2436 (5) | 0.3467 (2) | 0.26956 (12) | 0.0488 (8) | |
| C12 | 0.7575 (7) | 0.2569 (3) | 0.11593 (16) | 0.0731 (11) | |
| H1 | −0.33195 | 0.57564 | 0.47710 | 0.0845* | |
| H2 | 0.05853 | 0.44896 | 0.37338 | 0.0528* | |
| H3 | −0.19480 | −0.03596 | 0.46989 | 0.1262* | |
| H4A | −0.42219 | 0.22012 | 0.39662 | 0.0534* | |
| H4B | −0.30956 | 0.13424 | 0.34214 | 0.0534* | |
| H7 | 0.04987 | 0.07345 | 0.30076 | 0.0587* | |
| H8 | 0.32931 | 0.02950 | 0.21641 | 0.0639* | |
| H10 | 0.50463 | 0.38443 | 0.19819 | 0.0621* | |
| H11 | 0.22033 | 0.42766 | 0.28206 | 0.0586* | |
| H12A | 0.63099 | 0.31041 | 0.09496 | 0.1099* | |
| H12B | 0.86702 | 0.21914 | 0.08343 | 0.1099* | |
| H12C | 0.86800 | 0.30320 | 0.14555 | 0.1099* |