| x | y | z | Uiso*/Ueq | ||
| Zn1 | 0.44360 (3) | −0.13668 (2) | 0.00434 (2) | 0.03250 (11) | |
| N1 | 0.3373 (2) | −0.18995 (19) | 0.13387 (19) | 0.0385 (4) | |
| N2 | 0.3198 (2) | −0.09350 (19) | 0.24246 (19) | 0.0364 (4) | |
| O6 | 0.40890 (17) | 0.04471 (14) | 0.07488 (15) | 0.0331 (3) | |
| O7 | 0.6260 (2) | −0.21497 (19) | 0.07459 (19) | 0.0528 (5) | |
| H7A | 0.6208 | −0.2359 | 0.1393 | 0.079* | |
| C5 | 0.2447 (4) | −0.4353 (3) | 0.0179 (3) | 0.0597 (7) | |
| H5A | 0.2756 | −0.4202 | −0.0538 | 0.089* | |
| H5B | 0.1397 | −0.4941 | −0.0135 | 0.089* | |
| H5C | 0.3182 | −0.4748 | 0.0544 | 0.089* | |
| C6 | 0.2460 (3) | −0.3054 (2) | 0.1218 (2) | 0.0413 (5) | |
| C7 | 0.1694 (3) | −0.2813 (3) | 0.2213 (3) | 0.0453 (6) | |
| H7 | 0.0970 | −0.3442 | 0.2334 | 0.054* | |
| C8 | 0.2202 (3) | −0.1478 (3) | 0.2983 (2) | 0.0413 (5) | |
| C9 | 0.1855 (4) | −0.0683 (3) | 0.4239 (3) | 0.0606 (8) | |
| H9A | 0.2773 | −0.0431 | 0.4961 | 0.091* | |
| H9B | 0.0971 | −0.1210 | 0.4368 | 0.091* | |
| H9C | 0.1599 | 0.0104 | 0.4193 | 0.091* | |
| C10 | 0.4166 (3) | 0.0433 (2) | 0.2899 (2) | 0.0381 (5) | |
| H10A | 0.5279 | 0.0435 | 0.3030 | 0.046* | |
| H10B | 0.4016 | 0.0957 | 0.3743 | 0.046* | |
| C11 | 0.3753 (3) | 0.1084 (2) | 0.1951 (2) | 0.0331 (5) | |
| H11 | 0.2605 | 0.0997 | 0.1770 | 0.040* | |
| C13 | 0.7924 (3) | −0.1751 (4) | 0.0899 (3) | 0.0641 (8) | |
| H13A | 0.8108 | −0.1760 | 0.0076 | 0.077* | |
| H13B | 0.8423 | −0.2383 | 0.1110 | 0.077* | |
| C14 | 0.8653 (5) | −0.0412 (4) | 0.1945 (6) | 0.1128 (18) | |
| H14A | 0.8059 | 0.0190 | 0.1808 | 0.169* | |
| H14B | 0.9729 | −0.0113 | 0.1926 | 0.169* | |
| H14C | 0.8647 | −0.0439 | 0.2783 | 0.169* | |
| C12 | 0.4601 (3) | 0.2576 (2) | 0.2567 (2) | 0.0367 (5) | |
| H12A | 0.4222 | 0.2976 | 0.1977 | 0.044* | |
| H12B | 0.4328 | 0.2998 | 0.3385 | 0.044* | |
| N3 | 0.7009 (2) | 0.25422 (18) | 0.17989 (19) | 0.0366 (4) | |
| N4 | 0.6328 (2) | 0.28347 (18) | 0.28297 (18) | 0.0359 (4) | |
| C1 | 0.7043 (4) | 0.3867 (3) | 0.5278 (3) | 0.0630 (8) | |
| H1A | 0.6439 | 0.4506 | 0.5295 | 0.094* | |
| H1B | 0.8007 | 0.4283 | 0.5977 | 0.094* | |
| H1C | 0.6428 | 0.3136 | 0.5389 | 0.094* | |
| C2 | 0.7442 (3) | 0.3366 (2) | 0.3990 (2) | 0.0437 (6) | |
| C3 | 0.8885 (3) | 0.3381 (3) | 0.3704 (3) | 0.0501 (6) | |
| H3 | 0.9877 | 0.3674 | 0.4306 | 0.060* | |
| C15 | 0.9736 (3) | 0.2689 (3) | 0.1524 (3) | 0.0614 (8) | |
| H15A | 0.9241 | 0.1944 | 0.0696 | 0.092* | |
| H15B | 1.0653 | 0.2525 | 0.1974 | 0.092* | |
| H15C | 1.0055 | 0.3479 | 0.1373 | 0.092* | |
| C4 | 0.8579 (3) | 0.2875 (2) | 0.2346 (3) | 0.0433 (6) | |
| O1 | 0.7169 (4) | −0.2927 (3) | 0.4897 (3) | 0.1003 (9) | |
| O2 | 0.5741 (4) | −0.4532 (3) | 0.2842 (4) | 0.1233 (12) | |
| O3 | 0.6271 (4) | −0.2330 (3) | 0.3209 (3) | 0.0955 (9) | |
| O4 | 0.8318 (4) | −0.3383 (4) | 0.3177 (3) | 0.1242 (12) | |
| Cl1 | 0.68858 (8) | −0.33052 (6) | 0.35237 (7) | 0.05214 (18) |