| x | y | z | Uiso*/Ueq | ||
| Br1 | 0.27259 (4) | 0.68913 (3) | −0.08792 (6) | 0.06404 (14) | |
| C2 | 0.2358 (3) | 0.5151 (2) | 0.0834 (5) | 0.0433 (8) | |
| C3 | 0.2903 (3) | 0.5551 (3) | −0.0323 (5) | 0.0451 (8) | |
| C4 | 0.3618 (3) | 0.4929 (3) | −0.1127 (4) | 0.0465 (9) | |
| C5 | 0.4294 (3) | 0.5160 (4) | −0.2330 (5) | 0.0632 (12) | |
| H5 | 0.431618 | 0.579335 | −0.274038 | 0.076* | |
| C6 | 0.4933 (4) | 0.4437 (5) | −0.2911 (5) | 0.0795 (16) | |
| H6 | 0.540102 | 0.459228 | −0.369395 | 0.095* | |
| C7 | 0.4887 (4) | 0.3486 (5) | −0.2344 (6) | 0.0819 (16) | |
| H7 | 0.531156 | 0.300749 | −0.277171 | 0.098* | |
| C8 | 0.4225 (4) | 0.3237 (4) | −0.1160 (6) | 0.0700 (13) | |
| H8 | 0.419621 | 0.259777 | −0.077799 | 0.084* | |
| C9 | 0.3605 (3) | 0.3961 (3) | −0.0552 (5) | 0.0496 (9) | |
| Se1 | 0.26699 (4) | 0.38117 (3) | 0.11070 (6) | 0.05761 (13) | |
| Se10 | 0.13853 (4) | 0.58065 (3) | 0.21047 (6) | 0.06282 (15) | |
| C11 | 0.1055 (3) | 0.4715 (2) | 0.3458 (4) | 0.0422 (8) | |
| C12 | 0.1734 (4) | 0.4475 (3) | 0.4854 (5) | 0.0616 (11) | |
| H12 | 0.236377 | 0.483315 | 0.515093 | 0.074* | |
| C13 | 0.1472 (5) | 0.3698 (4) | 0.5807 (6) | 0.0723 (14) | |
| H13 | 0.193489 | 0.352550 | 0.674522 | 0.087* | |
| C14 | 0.0552 (4) | 0.3181 (3) | 0.5402 (6) | 0.0653 (13) | |
| H14 | 0.038533 | 0.265737 | 0.606089 | 0.078* | |
| C15 | −0.0132 (4) | 0.3424 (3) | 0.4031 (6) | 0.0611 (11) | |
| H15 | −0.076485 | 0.306615 | 0.375672 | 0.073* | |
| C16 | 0.0109 (3) | 0.4202 (3) | 0.3041 (5) | 0.0475 (9) | |
| H16 | −0.036003 | 0.437373 | 0.210910 | 0.057* |