| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.24504 (7) | −0.53695 (16) | 0.14138 (5) | 0.0724 (3) | |
| F1 | 0.53230 (12) | 0.2294 (4) | 0.43406 (12) | 0.1017 (8) | |
| F2 | 0.49335 (13) | 0.1618 (4) | 0.31203 (13) | 0.0964 (7) | |
| F3 | 0.49773 (12) | −0.1595 (4) | 0.38888 (11) | 0.0896 (7) | |
| N9 | 0.15811 (17) | 0.2481 (4) | 0.35357 (14) | 0.0463 (6) | |
| C1 | 0.1215 (2) | 0.4767 (6) | 0.49521 (17) | 0.0629 (9) | |
| H1A | 0.0846 | 0.3137 | 0.4779 | 0.076* | |
| H1B | 0.1300 | 0.5228 | 0.5490 | 0.076* | |
| C2 | 0.2051 (2) | 0.5449 (6) | 0.46255 (18) | 0.0612 (9) | |
| H2 | 0.2623 | 0.6398 | 0.4980 | 0.073* | |
| C3 | 0.1078 (2) | 0.6908 (6) | 0.43962 (19) | 0.0695 (10) | |
| H3A | 0.1077 | 0.8701 | 0.4588 | 0.083* | |
| H3B | 0.0624 | 0.6610 | 0.3878 | 0.083* | |
| C4 | 0.2319 (2) | 0.3623 (5) | 0.40752 (17) | 0.0486 (8) | |
| C5 | 0.3343 (2) | 0.3113 (6) | 0.41542 (17) | 0.0542 (9) | |
| H5 | 0.3843 | 0.3978 | 0.4540 | 0.065* | |
| C6 | 0.3612 (2) | 0.1390 (6) | 0.36802 (17) | 0.0463 (8) | |
| C7 | 0.2855 (2) | 0.0029 (5) | 0.30968 (16) | 0.0401 (7) | |
| C8 | 0.1844 (2) | 0.0691 (5) | 0.30551 (16) | 0.0405 (7) | |
| C10 | 0.4703 (3) | 0.0937 (8) | 0.3759 (2) | 0.0678 (10) | |
| C11 | 0.3025 (2) | −0.1850 (5) | 0.25749 (16) | 0.0452 (8) | |
| H11 | 0.3683 | −0.2290 | 0.2591 | 0.054* | |
| C12 | 0.2229 (2) | −0.3017 (5) | 0.20490 (16) | 0.0456 (8) | |
| C13 | 0.1232 (2) | −0.2394 (6) | 0.19959 (16) | 0.0489 (8) | |
| H13 | 0.0699 | −0.3229 | 0.1630 | 0.059* | |
| C14 | 0.1044 (2) | −0.0553 (6) | 0.24840 (16) | 0.0464 (8) | |
| H14 | 0.0378 | −0.0105 | 0.2442 | 0.056* |