| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.22862 (5) | 0.40719 (7) | 1.17836 (4) | 0.06157 (19) | |
| S1 | 0.33583 (4) | 0.57846 (6) | 1.03539 (3) | 0.04070 (15) | |
| O1 | 0.46583 (12) | 0.75106 (18) | 0.91191 (10) | 0.0540 (4) | |
| O2 | 0.80027 (11) | 0.99907 (15) | 0.81682 (8) | 0.0413 (3) | |
| O3 | 0.97557 (11) | 1.20940 (17) | 0.83929 (10) | 0.0509 (4) | |
| C1 | 0.33815 (16) | 0.5228 (2) | 1.14971 (13) | 0.0387 (4) | |
| C2 | 0.43004 (17) | 0.5799 (2) | 1.21037 (13) | 0.0451 (5) | |
| H2 | 0.4440 | 0.5608 | 1.2748 | 0.054* | |
| C3 | 0.50212 (16) | 0.6722 (2) | 1.16311 (13) | 0.0427 (5) | |
| H3 | 0.5697 | 0.7210 | 1.1936 | 0.051* | |
| C4 | 0.46355 (14) | 0.6834 (2) | 1.06827 (12) | 0.0358 (4) | |
| C5 | 0.51284 (15) | 0.7641 (2) | 0.99432 (13) | 0.0384 (4) | |
| C6 | 0.61819 (15) | 0.8604 (2) | 1.02313 (13) | 0.0407 (4) | |
| H6 | 0.6442 | 0.8791 | 1.0868 | 0.049* | |
| C7 | 0.67724 (15) | 0.9214 (2) | 0.96006 (13) | 0.0382 (4) | |
| H7 | 0.6509 | 0.8949 | 0.8975 | 0.046* | |
| C8 | 0.77860 (15) | 1.0250 (2) | 0.97828 (12) | 0.0357 (4) | |
| C9 | 0.82092 (16) | 1.0873 (2) | 1.06805 (13) | 0.0431 (5) | |
| H9 | 0.7857 | 1.0592 | 1.1188 | 0.052* | |
| C10 | 0.91330 (17) | 1.1886 (3) | 1.08140 (14) | 0.0485 (5) | |
| H10 | 0.9406 | 1.2280 | 1.1413 | 0.058* | |
| C11 | 0.96713 (16) | 1.2336 (2) | 1.00634 (14) | 0.0466 (5) | |
| H11 | 1.0293 | 1.3036 | 1.0161 | 0.056* | |
| C12 | 0.92801 (15) | 1.1742 (2) | 0.91742 (13) | 0.0396 (4) | |
| C13 | 0.83426 (15) | 1.0682 (2) | 0.90333 (12) | 0.0347 (4) | |
| C14 | 0.73927 (19) | 1.0981 (3) | 0.74504 (15) | 0.0540 (6) | |
| H14C | 0.6614 | 1.1159 | 0.7566 | 0.081* | |
| H14B | 0.7358 | 1.0488 | 0.6848 | 0.081* | |
| H14A | 0.7796 | 1.1960 | 0.7454 | 0.081* | |
| C15 | 1.0673 (2) | 1.3220 (3) | 0.84993 (18) | 0.0660 (7) | |
| H15C | 1.0407 | 1.4174 | 0.8742 | 0.099* | |
| H15A | 1.0896 | 1.3416 | 0.7899 | 0.099* | |
| H15B | 1.1334 | 1.2829 | 0.8929 | 0.099* |