| x | y | z | Uiso*/Ueq | ||
| Zn1 | 0.87080 (4) | 0.35121 (4) | 0.23426 (3) | 0.04844 (15) | |
| S1 | 0.75132 (16) | 0.05952 (14) | −0.10471 (7) | 0.0759 (3) | |
| S2 | 1.40376 (14) | 0.73452 (15) | 0.38080 (9) | 0.0854 (4) | |
| O1 | 1.1836 (4) | 0.1269 (4) | 0.4455 (2) | 0.0791 (8) | |
| N1 | 0.7747 (4) | 0.5343 (3) | 0.1472 (2) | 0.0551 (7) | |
| N2 | 0.6437 (3) | 0.3649 (3) | 0.2720 (2) | 0.0552 (7) | |
| N3 | 0.8546 (3) | 0.1714 (3) | 0.3427 (2) | 0.0493 (6) | |
| N4 | 0.8437 (4) | 0.1978 (4) | 0.1048 (2) | 0.0662 (8) | |
| N5 | 1.0969 (4) | 0.5041 (4) | 0.2956 (3) | 0.0793 (10) | |
| C1 | 0.6221 (4) | 0.5515 (4) | 0.1613 (3) | 0.0531 (8) | |
| C2 | 0.5377 (5) | 0.6554 (4) | 0.1166 (3) | 0.0622 (9) | |
| H2 | 0.4323 | 0.6652 | 0.1285 | 0.075* | |
| C3 | 0.6133 (5) | 0.7444 (4) | 0.0539 (3) | 0.0662 (10) | |
| H3 | 0.5592 | 0.8155 | 0.0223 | 0.079* | |
| C4 | 0.7674 (5) | 0.7276 (4) | 0.0385 (3) | 0.0690 (10) | |
| H4 | 0.8204 | 0.7867 | −0.0038 | 0.083* | |
| C5 | 0.8445 (5) | 0.6212 (4) | 0.0866 (3) | 0.0648 (9) | |
| H5 | 0.9503 | 0.6103 | 0.0759 | 0.078* | |
| C6 | 0.5531 (4) | 0.4478 (4) | 0.2283 (3) | 0.0603 (9) | |
| H6 | 0.4434 | 0.4439 | 0.2382 | 0.072* | |
| C7 | 0.5856 (5) | 0.2577 (6) | 0.3393 (3) | 0.0776 (12) | |
| H7A | 0.4603 | 0.2194 | 0.3188 | 0.093* | |
| H7B | 0.6214 | 0.3151 | 0.4117 | 0.093* | |
| C8 | 0.6656 (5) | 0.1177 (5) | 0.3275 (3) | 0.0730 (11) | |
| H8A | 0.6415 | 0.0524 | 0.3782 | 0.088* | |
| H8B | 0.6134 | 0.0506 | 0.2581 | 0.088* | |
| C9 | 0.9411 (5) | 0.2391 (4) | 0.4547 (3) | 0.0612 (9) | |
| H9A | 0.8978 | 0.1647 | 0.4962 | 0.073* | |
| H9B | 0.9127 | 0.3402 | 0.4752 | 0.073* | |
| C10 | 1.1332 (5) | 0.2682 (5) | 0.4768 (3) | 0.0723 (11) | |
| H10A | 1.1776 | 0.3503 | 0.4404 | 0.087* | |
| H10B | 1.1840 | 0.3088 | 0.5513 | 0.087* | |
| C11 | 1.1103 (5) | 0.0677 (5) | 0.3379 (3) | 0.0757 (11) | |
| H11A | 1.1471 | −0.0283 | 0.3162 | 0.091* | |
| H11B | 1.1522 | 0.1484 | 0.2998 | 0.091* | |
| C12 | 0.9161 (5) | 0.0269 (4) | 0.3108 (3) | 0.0639 (9) | |
| H12A | 0.8704 | −0.0134 | 0.2360 | 0.077* | |
| H12B | 0.8735 | −0.0576 | 0.3460 | 0.077* | |
| C13 | 0.8047 (4) | 0.1408 (4) | 0.0181 (3) | 0.0504 (7) | |
| C14 | 1.2216 (5) | 0.6003 (4) | 0.3288 (3) | 0.0560 (8) |