x | y | z | Uiso*/Ueq | ||
S1 | 0.68037 (10) | 0.2500 | 0.26611 (7) | 0.0314 (2) | |
O1 | 0.2425 (3) | 0.2500 | 0.4038 (3) | 0.0416 (5) | |
O2 | 0.7324 (2) | 0.0698 (2) | 0.20266 (16) | 0.0445 (4) | |
N1 | 0.4534 (3) | 0.2500 | 0.2520 (3) | 0.0314 (5) | |
C1 | 0.7314 (4) | 0.2500 | 0.4722 (3) | 0.0254 (5) | |
C2 | 0.9043 (4) | 0.2500 | 0.5750 (3) | 0.0337 (6) | |
H2 | 1.0141 | 0.2500 | 0.5381 | 0.040* | |
C3 | 0.9090 (4) | 0.2500 | 0.7337 (3) | 0.0403 (7) | |
H3 | 1.0249 | 0.2500 | 0.8079 | 0.048* | |
C4 | 0.7486 (4) | 0.2500 | 0.7873 (3) | 0.0379 (7) | |
H4 | 0.7566 | 0.2500 | 0.8974 | 0.045* | |
C5 | 0.5767 (4) | 0.2500 | 0.6832 (3) | 0.0308 (6) | |
H5 | 0.4670 | 0.2500 | 0.7203 | 0.037* | |
C6 | 0.5690 (3) | 0.2500 | 0.5235 (3) | 0.0251 (5) | |
C7 | 0.4012 (4) | 0.2500 | 0.3931 (3) | 0.0289 (6) | |
C8 | 0.3218 (5) | 0.2500 | 0.0986 (3) | 0.0455 (8) | |
H8A | 0.1982 | 0.2500 | 0.1130 | 0.055* | |
H8B | 0.3405 | 0.1341 | 0.0410 | 0.055* |