| x | y | z | Uiso*/Ueq | ||
| S | 0.29259 (8) | 0.49679 (16) | 1.24335 (16) | 0.0564 (4) | |
| Cl | −0.02197 (9) | 0.34294 (17) | 0.71715 (19) | 0.0780 (6) | |
| O1 | 0.3413 (2) | 0.4520 (4) | 1.3779 (4) | 0.0819 (14) | |
| O2 | 0.2559 (2) | 0.6236 (4) | 1.2478 (5) | 0.0722 (12) | |
| O4 | 0.2340 (2) | 0.1125 (4) | 1.2061 (5) | 0.0770 (13) | |
| O5 | 0.1500 (2) | 0.0066 (4) | 1.0409 (4) | 0.0642 (11) | |
| N | 0.2329 (2) | 0.3752 (4) | 1.2181 (5) | 0.0583 (13) | |
| H1 | 0.2374 | 0.3100 | 1.2850 | 0.070* | |
| C1 | 0.4669 (4) | 0.4931 (9) | 0.6934 (7) | 0.114 (3) | |
| H1B | 0.4700 | 0.4028 | 0.6543 | 0.170* | |
| H1C | 0.5149 | 0.5252 | 0.7309 | 0.170* | |
| H1D | 0.4452 | 0.5503 | 0.6096 | 0.170* | |
| C2 | 0.4210 (3) | 0.4943 (9) | 0.8276 (7) | 0.0697 (18) | |
| C3 | 0.3884 (4) | 0.6094 (7) | 0.8730 (8) | 0.081 (2) | |
| H3A | 0.3945 | 0.6885 | 0.8178 | 0.098* | |
| C4 | 0.3475 (3) | 0.6136 (6) | 0.9950 (7) | 0.0662 (17) | |
| H4A | 0.3264 | 0.6938 | 1.0224 | 0.079* | |
| C5 | 0.3382 (3) | 0.4966 (6) | 1.0771 (6) | 0.0503 (13) | |
| C6 | 0.3695 (3) | 0.3769 (6) | 1.0334 (7) | 0.0634 (17) | |
| H6A | 0.3630 | 0.2972 | 1.0871 | 0.076* | |
| C7 | 0.4102 (3) | 0.3791 (7) | 0.9098 (8) | 0.0754 (19) | |
| H7A | 0.4312 | 0.2994 | 0.8807 | 0.090* | |
| C8 | 0.1733 (3) | 0.3692 (5) | 1.0920 (6) | 0.0510 (14) | |
| C9 | 0.1384 (3) | 0.4848 (5) | 1.0265 (7) | 0.0630 (16) | |
| H9A | 0.1556 | 0.5690 | 1.0613 | 0.076* | |
| C10 | 0.0799 (3) | 0.4767 (5) | 0.9126 (7) | 0.0547 (15) | |
| H10A | 0.0573 | 0.5548 | 0.8710 | 0.066* | |
| C11 | 0.0539 (3) | 0.3519 (6) | 0.8589 (6) | 0.0531 (14) | |
| C12 | 0.0869 (3) | 0.2351 (6) | 0.9199 (6) | 0.0543 (14) | |
| H12A | 0.0690 | 0.1518 | 0.8832 | 0.065* | |
| C13 | 0.1475 (3) | 0.2419 (5) | 1.0376 (6) | 0.0449 (12) | |
| C14 | 0.1818 (3) | 0.1175 (5) | 1.1044 (7) | 0.0533 (14) | |
| C15 | 0.1805 (4) | −0.1223 (5) | 1.0982 (8) | 0.088 (2) | |
| H15A | 0.1529 | −0.1942 | 1.0445 | 0.132* | |
| H15B | 0.1786 | −0.1294 | 1.2100 | 0.132* | |
| H15C | 0.2301 | −0.1283 | 1.0778 | 0.132* |