x | y | z | Uiso*/Ueq | ||
Cd1 | 1.0000 | 0.70441 (2) | 0.2500 | 0.03969 (8) | |
Br1 | 1.149352 (17) | 0.56647 (3) | 0.34643 (3) | 0.05549 (9) | |
S1 | 1.03619 (4) | 0.83583 (7) | 0.44089 (5) | 0.04794 (14) | |
N1 | 0.91758 (14) | 0.76405 (19) | 0.4771 (2) | 0.0474 (4) | |
N2 | 0.85096 (13) | 0.8900 (2) | 0.29223 (18) | 0.0471 (4) | |
C1 | 0.92634 (14) | 0.82923 (19) | 0.39910 (19) | 0.0366 (4) | |
C2 | 0.8527 (2) | 0.8077 (3) | 0.4968 (3) | 0.0672 (7) | |
H2A | 0.8267 | 0.8928 | 0.4562 | 0.101* | |
H2B | 0.8867 | 0.8145 | 0.5891 | 0.101* | |
H2C | 0.8022 | 0.7444 | 0.4580 | 0.101* | |
C3 | 0.9861 (2) | 0.6637 (3) | 0.5706 (3) | 0.0724 (8) | |
H3A | 1.0111 | 0.6189 | 0.5359 | 0.109* | |
H3B | 0.9552 | 0.6004 | 0.5851 | 0.109* | |
H3C | 1.0369 | 0.7056 | 0.6522 | 0.109* | |
C4 | 0.75337 (18) | 0.8418 (3) | 0.2186 (3) | 0.0694 (8) | |
H4A | 0.7550 | 0.7542 | 0.2480 | 0.104* | |
H4B | 0.7211 | 0.8394 | 0.1266 | 0.104* | |
H4C | 0.7203 | 0.9005 | 0.2330 | 0.104* | |
C5 | 0.8609 (2) | 0.9921 (3) | 0.2254 (3) | 0.0697 (8) | |
H5A | 0.9218 | 1.0340 | 0.2870 | 0.105* | |
H5B | 0.8118 | 1.0573 | 0.1892 | 0.105* | |
H5C | 0.8557 | 0.9524 | 0.1561 | 0.105* |