| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.34571 (17) | 0.59201 (10) | 1.15934 (7) | 0.0608 (4) | |
| Cl2 | 0.11234 (16) | 0.56643 (10) | 0.83757 (8) | 0.0654 (4) | |
| N2 | 0.2890 (4) | 0.8248 (3) | 1.00495 (19) | 0.0449 (7) | |
| H2A | 0.3032 | 0.7611 | 1.0496 | 0.054* | |
| N1 | 0.2626 (4) | 0.9234 (3) | 0.86427 (19) | 0.0446 (7) | |
| H1A | 0.2575 | 0.9338 | 0.8029 | 0.053* | |
| C6 | 0.2574 (4) | 0.9674 (4) | 1.0180 (2) | 0.0385 (8) | |
| C1 | 0.2393 (5) | 1.0306 (3) | 0.9280 (2) | 0.0388 (8) | |
| C7 | 0.2936 (5) | 0.8027 (4) | 0.9125 (3) | 0.0438 (8) | |
| C5 | 0.2467 (5) | 1.0453 (4) | 1.1012 (3) | 0.0528 (10) | |
| H5A | 0.2596 | 1.0028 | 1.1620 | 0.063* | |
| C2 | 0.2079 (5) | 1.1754 (4) | 0.9153 (3) | 0.0528 (10) | |
| H2B | 0.1957 | 1.2183 | 0.8546 | 0.063* | |
| C4 | 0.2163 (6) | 1.1877 (4) | 1.0883 (3) | 0.0588 (11) | |
| H4A | 0.2090 | 1.2435 | 1.1419 | 0.071* | |
| C3 | 0.1961 (6) | 1.2515 (4) | 0.9973 (3) | 0.0615 (11) | |
| H3A | 0.1738 | 1.3484 | 0.9917 | 0.074* | |
| C8 | 0.3276 (6) | 0.6648 (4) | 0.8695 (3) | 0.0628 (11) | |
| H8A | 0.4205 | 0.6114 | 0.9162 | 0.075* | |
| H8B | 0.3787 | 0.6801 | 0.8119 | 0.075* |