x | y | z | Uiso*/Ueq | ||
Cd1 | 1.0000 | 0.71325 (3) | 0.2500 | 0.04562 (8) | |
I1 | 1.155686 (14) | 0.56794 (2) | 0.35345 (2) | 0.06074 (8) | |
S1 | 1.03756 (5) | 0.84000 (9) | 0.43960 (7) | 0.05829 (19) | |
N1 | 0.92464 (19) | 0.7668 (2) | 0.4801 (3) | 0.0568 (6) | |
N2 | 0.85712 (18) | 0.8932 (3) | 0.3011 (2) | 0.0569 (6) | |
C1 | 0.93150 (19) | 0.8328 (3) | 0.4031 (3) | 0.0462 (6) | |
C2 | 0.8634 (3) | 0.8067 (4) | 0.5045 (4) | 0.0777 (10) | |
H2A | 0.8343 | 0.8869 | 0.4619 | 0.116* | |
H2B | 0.8992 | 0.8168 | 0.5954 | 0.116* | |
H2C | 0.8165 | 0.7423 | 0.4722 | 0.116* | |
C3 | 0.9920 (3) | 0.6671 (4) | 0.5676 (4) | 0.0870 (12) | |
H3A | 1.0154 | 0.6268 | 0.5308 | 0.130* | |
H3B | 0.9622 | 0.6037 | 0.5808 | 0.130* | |
H3C | 1.0425 | 0.7054 | 0.6486 | 0.130* | |
C4 | 0.7619 (2) | 0.8470 (4) | 0.2310 (4) | 0.0808 (11) | |
H4A | 0.7637 | 0.7632 | 0.2621 | 0.121* | |
H4B | 0.7299 | 0.8422 | 0.1408 | 0.121* | |
H4C | 0.7297 | 0.9054 | 0.2444 | 0.121* | |
C5 | 0.8660 (3) | 0.9963 (4) | 0.2369 (4) | 0.0840 (11) | |
H5A | 0.9259 | 1.0360 | 0.2972 | 0.126* | |
H5B | 0.8184 | 1.0594 | 0.2048 | 0.126* | |
H5C | 0.8594 | 0.9610 | 0.1666 | 0.126* |