| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.88106 (4) | 1.32286 (7) | 0.48668 (2) | 0.03392 (14) | |
| Cl2 | 1.05932 (4) | 1.18867 (7) | 0.43125 (2) | 0.03201 (14) | |
| N1 | 0.91524 (13) | 0.8624 (3) | 0.37007 (8) | 0.0292 (3) | |
| N2 | 0.85729 (13) | 0.7167 (3) | 0.33932 (8) | 0.0300 (3) | |
| N3 | 0.40040 (13) | 0.8913 (3) | 0.40216 (9) | 0.0380 (4) | |
| N4 | 1.13398 (14) | −0.0162 (3) | 0.21331 (9) | 0.0398 (4) | |
| C1 | 0.85825 (15) | 0.9987 (3) | 0.40327 (9) | 0.0284 (4) | |
| C2 | 0.92392 (15) | 1.1508 (3) | 0.43572 (9) | 0.0295 (4) | |
| C3 | 0.73981 (15) | 0.9728 (3) | 0.40425 (9) | 0.0291 (4) | |
| C4 | 0.70143 (15) | 0.7904 (3) | 0.42580 (9) | 0.0310 (4) | |
| H4 | 0.7525 | 0.6816 | 0.4404 | 0.037* | |
| C5 | 0.59082 (16) | 0.7638 (3) | 0.42649 (10) | 0.0330 (4) | |
| H5 | 0.5678 | 0.6384 | 0.4421 | 0.040* | |
| C6 | 0.51174 (15) | 0.9206 (3) | 0.40439 (9) | 0.0310 (4) | |
| C7 | 0.55024 (15) | 1.1054 (3) | 0.38262 (9) | 0.0312 (4) | |
| H7 | 0.4994 | 1.2145 | 0.3678 | 0.037* | |
| C8 | 0.66197 (15) | 1.1295 (3) | 0.38267 (9) | 0.0294 (4) | |
| H8 | 0.6859 | 1.2551 | 0.3677 | 0.035* | |
| C9 | 0.36642 (18) | 0.7158 (4) | 0.43561 (12) | 0.0434 (5) | |
| H9A | 0.3835 | 0.5892 | 0.4148 | 0.065* | |
| H9B | 0.2862 | 0.7231 | 0.4319 | 0.065* | |
| H9C | 0.4067 | 0.7169 | 0.4826 | 0.065* | |
| C10 | 0.32281 (16) | 1.0620 (4) | 0.38642 (11) | 0.0410 (5) | |
| H10A | 0.3390 | 1.1609 | 0.4231 | 0.061* | |
| H10B | 0.2465 | 1.0113 | 0.3800 | 0.061* | |
| H10C | 0.3307 | 1.1290 | 0.3456 | 0.061* | |
| C11 | 0.92081 (15) | 0.5780 (3) | 0.30993 (9) | 0.0291 (4) | |
| C12 | 1.03445 (15) | 0.6030 (3) | 0.31285 (9) | 0.0315 (4) | |
| H12 | 1.0731 | 0.7214 | 0.3330 | 0.038* | |
| C13 | 1.08971 (15) | 0.4540 (3) | 0.28610 (9) | 0.0318 (4) | |
| H13 | 1.1666 | 0.4692 | 0.2878 | 0.038* | |
| C14 | 1.03148 (15) | 0.2803 (3) | 0.25645 (9) | 0.0297 (4) | |
| C15 | 0.91773 (15) | 0.2583 (3) | 0.25146 (9) | 0.0308 (4) | |
| H15 | 0.8784 | 0.1423 | 0.2299 | 0.037* | |
| C16 | 0.86290 (15) | 0.4084 (3) | 0.27846 (9) | 0.0308 (4) | |
| H16 | 0.7855 | 0.3952 | 0.2754 | 0.037* | |
| C17 | 1.08914 (15) | 0.1179 (3) | 0.23155 (10) | 0.0329 (4) |