| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.3576 (4) | 0.89705 (9) | 0.29850 (5) | 0.0644 (5) | |
| Cl2 | 0.2067 (5) | 1.14124 (14) | 0.48102 (5) | 0.0892 (6) | |
| Cl3 | 1.1255 (5) | 1.22982 (11) | 0.10663 (6) | 0.0863 (6) | |
| S1 | 0.2273 (3) | 0.97600 (10) | 0.40296 (5) | 0.0581 (4) | |
| F1 | 1.3011 (10) | 0.8888 (3) | 0.03284 (14) | 0.0890 (16) | |
| O1 | 0.6247 (13) | 1.2332 (3) | 0.28547 (15) | 0.0826 (16) | |
| C1 | 0.3669 (11) | 0.9974 (3) | 0.34077 (16) | 0.0452 (11) | |
| C2 | 0.2951 (13) | 1.0983 (4) | 0.41922 (17) | 0.0576 (15) | |
| C3 | 0.4177 (12) | 1.1522 (4) | 0.37994 (16) | 0.0518 (16) | |
| C4 | 0.4643 (11) | 1.0936 (3) | 0.33320 (15) | 0.0438 (11) | |
| C5 | 0.6036 (13) | 1.1423 (3) | 0.28592 (16) | 0.0503 (14) | |
| C6 | 0.7148 (13) | 1.0813 (3) | 0.24247 (17) | 0.0528 (14) | |
| C7 | 0.8427 (14) | 1.1157 (4) | 0.19955 (16) | 0.0553 (14) | |
| C8 | 0.9626 (11) | 1.0570 (3) | 0.15588 (15) | 0.0446 (11) | |
| C9 | 1.0932 (12) | 1.1014 (4) | 0.11131 (17) | 0.0505 (16) | |
| C10 | 1.2095 (12) | 1.0457 (4) | 0.06983 (17) | 0.0567 (16) | |
| C11 | 1.1865 (13) | 0.9448 (4) | 0.0731 (2) | 0.0621 (19) | |
| C12 | 1.0579 (14) | 0.8963 (4) | 0.1151 (2) | 0.0633 (17) | |
| C13 | 0.9467 (13) | 0.9528 (4) | 0.15625 (18) | 0.0535 (16) | |
| H3A | 0.46730 | 1.22000 | 0.38260 | 0.0620* | |
| H6A | 0.69310 | 1.01230 | 0.24550 | 0.0630* | |
| H7A | 0.85890 | 1.18480 | 0.19660 | 0.0660* | |
| H10A | 1.30020 | 1.07640 | 0.04070 | 0.0680* | |
| H12A | 1.04550 | 0.82680 | 0.11580 | 0.0760* | |
| H13A | 0.85860 | 0.92070 | 0.18510 | 0.0640* |