x | y | z | Uiso*/Ueq | ||
Br1 | 0.90429 (5) | 0.69525 (7) | 0.15399 (5) | 0.0306 (2) | |
Br2 | 0.75506 (5) | 0.94572 (7) | 0.30330 (4) | 0.0290 (2) | |
C1 | 0.7287 (5) | 0.7946 (6) | 0.1647 (4) | 0.0214 (9) | |
C2 | 0.5999 (5) | 0.7559 (7) | 0.0803 (4) | 0.0225 (9) | |
H2 | 0.6061 | 0.6818 | 0.0139 | 0.027* | |
C3 | 0.4530 (5) | 0.8068 (6) | 0.0720 (4) | 0.0188 (8) | |
C4 | 0.3277 (5) | 0.7471 (7) | −0.0213 (4) | 0.0225 (9) | |
H4 | 0.3305 | 0.6695 | −0.0873 | 0.027* | |
C5 | 0.1970 (6) | 0.8134 (7) | −0.0080 (5) | 0.0307 (11) | |
H5 | 0.1026 | 0.7857 | −0.0637 | 0.037* | |
C6 | 0.2213 (5) | 0.9216 (7) | 0.0939 (5) | 0.0289 (10) | |
H6 | 0.1455 | 0.9771 | 0.1174 | 0.035* | |
S | 0.40366 (13) | 0.94655 (17) | 0.17497 (12) | 0.0265 (3) |