| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.16029 (5) | 0.69778 (5) | 0.05650 (4) | 0.05390 (17) | |
| N2 | 0.50252 (18) | 1.00296 (13) | 0.18929 (11) | 0.0344 (3) | |
| C9 | 0.53903 (19) | 0.72253 (15) | 0.14393 (12) | 0.0301 (3) | |
| O1 | 1.08313 (14) | 1.09067 (13) | 0.17031 (11) | 0.0497 (3) | |
| C2 | 0.9066 (2) | 1.04662 (16) | 0.18541 (14) | 0.0370 (3) | |
| C8 | 0.61534 (19) | 1.08206 (15) | 0.30290 (12) | 0.0319 (3) | |
| N1 | 0.78205 (17) | 0.94682 (14) | 0.09040 (12) | 0.0367 (3) | |
| C14 | 0.3498 (2) | 0.62845 (16) | 0.12560 (13) | 0.0345 (3) | |
| C1 | 0.57649 (19) | 0.88323 (15) | 0.10227 (13) | 0.0315 (3) | |
| C10 | 0.6833 (2) | 0.66331 (18) | 0.20113 (14) | 0.0411 (3) | |
| H10A | 0.8115 | 0.7230 | 0.2153 | 0.049* | |
| C13 | 0.3048 (2) | 0.48197 (17) | 0.16089 (15) | 0.0451 (4) | |
| H13A | 0.1769 | 0.4217 | 0.1469 | 0.054* | |
| C3 | 0.8198 (2) | 1.10531 (17) | 0.30508 (13) | 0.0384 (3) | |
| C7 | 0.5326 (2) | 1.14921 (18) | 0.41197 (14) | 0.0419 (3) | |
| H7A | 0.3970 | 1.1339 | 0.4120 | 0.050* | |
| C11 | 0.6398 (3) | 0.5163 (2) | 0.23777 (16) | 0.0521 (4) | |
| H11A | 0.7385 | 0.4786 | 0.2765 | 0.063* | |
| C4 | 0.9362 (2) | 1.1958 (2) | 0.41504 (17) | 0.0613 (5) | |
| H4A | 1.0720 | 1.2122 | 0.4163 | 0.074* | |
| C12 | 0.4514 (3) | 0.42650 (18) | 0.21692 (16) | 0.0517 (4) | |
| H12A | 0.4232 | 0.3277 | 0.2409 | 0.062* | |
| C6 | 0.6509 (3) | 1.2379 (2) | 0.51937 (16) | 0.0582 (5) | |
| H6A | 0.5944 | 1.2828 | 0.5916 | 0.070* | |
| C5 | 0.8526 (3) | 1.2615 (3) | 0.52208 (17) | 0.0722 (6) | |
| H5A | 0.9312 | 1.3214 | 0.5957 | 0.087* | |
| H2A | 0.382 (2) | 0.9860 (18) | 0.1921 (14) | 0.037 (4)* | |
| H1A | 0.823 (2) | 0.9236 (19) | 0.0184 (18) | 0.045 (4)* | |
| H1B | 0.510 (2) | 0.8682 (16) | 0.0185 (14) | 0.027 (3)* |