| x | y | z | Uiso*/Ueq | ||
| Zn1 | 0.5000 | −0.5000 | 0.0000 | 0.03523 (16) | |
| O1 | 0.1648 (4) | −0.5269 (5) | −0.20379 (11) | 0.1080 (15) | |
| N2 | 0.7192 (4) | −0.2827 (3) | 0.01736 (10) | 0.0467 (6) | |
| N3 | 0.7294 (4) | −0.6966 (3) | 0.03187 (9) | 0.0441 (6) | |
| N4 | 0.5973 (4) | −0.5346 (3) | −0.07500 (9) | 0.0374 (5) | |
| N5 | 0.8571 (7) | −0.9980 (3) | 0.05024 (17) | 0.0911 (15) | |
| C1 | 0.7821 (4) | −0.8411 (4) | 0.03808 (11) | 0.0405 (6) | |
| C2 | 0.7750 (4) | −0.1441 (4) | 0.03062 (11) | 0.0411 (6) | |
| C4 | 0.7925 (4) | −0.5898 (4) | −0.07850 (11) | 0.0442 (7) | |
| H4A | 0.8899 | −0.5924 | −0.0487 | 0.053* | |
| C5 | 0.8557 (5) | −0.6427 (4) | −0.12406 (11) | 0.0488 (7) | |
| H5C | 0.9914 | −0.6831 | −0.1247 | 0.059* | |
| C6 | 0.7130 (5) | −0.6347 (4) | −0.16892 (11) | 0.0465 (7) | |
| H6A | 0.7504 | −0.6728 | −0.2000 | 0.056* | |
| C7 | 0.5141 (5) | −0.5690 (4) | −0.16669 (11) | 0.0435 (6) | |
| C8 | 0.4633 (4) | −0.5223 (3) | −0.11864 (11) | 0.0395 (6) | |
| H8A | 0.3290 | −0.4805 | −0.1169 | 0.047* | |
| C9 | 0.3436 (5) | −0.5503 (5) | −0.21175 (12) | 0.0568 (8) | |
| C10 | 0.3845 (5) | −0.5665 (4) | −0.26610 (11) | 0.0491 (7) | |
| C11 | 0.5699 (6) | −0.5147 (4) | −0.28267 (13) | 0.0553 (8) | |
| H11A | 0.6808 | −0.4735 | −0.2591 | 0.066* | |
| C12 | 0.2197 (6) | −0.6285 (5) | −0.30199 (13) | 0.0635 (9) | |
| H12A | 0.0948 | −0.6634 | −0.2913 | 0.076* | |
| C13 | 0.2419 (8) | −0.6382 (5) | −0.35361 (14) | 0.0783 (13) | |
| H13A | 0.1321 | −0.6804 | −0.3774 | 0.094* | |
| C14 | 0.4252 (8) | −0.5857 (6) | −0.36965 (15) | 0.0811 (14) | |
| H14A | 0.4386 | −0.5915 | −0.4043 | 0.097* | |
| C15 | 0.5896 (8) | −0.5245 (5) | −0.33469 (14) | 0.0707 (12) | |
| H15A | 0.7137 | −0.4898 | −0.3458 | 0.085* |