| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| Zn1 | 0.02528 (5) | 0.13460 (5) | 0.62683 (3) | 0.02329 (12) | |
| O1 | −0.0138 (3) | 0.0539 (3) | 0.8118 (2) | 0.0495 (7) | |
| O2 | −0.1959 (3) | 0.1010 (3) | 0.68613 (17) | 0.0311 (5) | |
| O3 | 0.0472 (2) | −0.1661 (2) | 0.52376 (16) | 0.0249 (5) | |
| O4 | 0.1080 (3) | 0.3581 (3) | 0.68413 (19) | 0.0376 (6) | |
| O5 | 0.2353 (2) | 0.0121 (2) | 0.60995 (16) | 0.0267 (5) | |
| C1 | −0.1604 (4) | 0.0679 (4) | 0.7800 (3) | 0.0292 (8) | |
| C2 | −0.3060 (4) | 0.0478 (4) | 0.8506 (2) | 0.0229 (7) | |
| C3 | −0.4729 (4) | 0.0766 (4) | 0.8157 (3) | 0.0259 (7) | |
| H3 | −0.491459 | 0.106685 | 0.746526 | 0.031* | |
| C4 | −0.6065 (4) | 0.0621 (4) | 0.8792 (2) | 0.0253 (7) | |
| H4 | −0.716770 | 0.083839 | 0.854527 | 0.030* | |
| C5 | −0.5832 (3) | 0.0151 (3) | 0.9818 (2) | 0.0204 (7) | |
| C6 | −0.7197 (4) | −0.0032 (4) | 1.0501 (2) | 0.0247 (7) | |
| H6 | −0.831308 | 0.016042 | 1.026474 | 0.030* | |
| C7 | 0.1971 (4) | −0.1257 (4) | 0.5574 (2) | 0.0232 (7) | |
| C8 | 0.3342 (4) | −0.2464 (4) | 0.5386 (2) | 0.0231 (7) | |
| C9 | 0.2888 (4) | −0.4062 (4) | 0.5012 (2) | 0.0266 (7) | |
| H9 | 0.173329 | −0.437095 | 0.484564 | 0.032* | |
| C10 | 0.4136 (4) | −0.5243 (4) | 0.4875 (2) | 0.0241 (7) | |
| C11 | 0.5046 (4) | −0.1977 (4) | 0.5621 (3) | 0.0281 (8) | |
| H11 | 0.534020 | −0.086805 | 0.587033 | 0.034* | |
| C12 | 0.6283 (4) | −0.3091 (4) | 0.5492 (3) | 0.0285 (8) | |
| H12 | 0.743193 | −0.274861 | 0.564835 | 0.034* | |
| C13 | 0.2535 (5) | 0.4026 (4) | 0.7188 (3) | 0.0369 (9) | |
| H13 | 0.341309 | 0.327989 | 0.705702 | 0.044* | |
| C14 | 0.1574 (6) | 0.6627 (5) | 0.7929 (4) | 0.0628 (13) | |
| H14A | 0.078313 | 0.652571 | 0.729974 | 0.075* | |
| H14B | 0.208053 | 0.774681 | 0.803717 | 0.075* | |
| C15 | 0.0611 (7) | 0.6341 (6) | 0.8898 (4) | 0.0970 (18) | |
| H15A | 0.013080 | 0.522378 | 0.879973 | 0.145* | |
| H15B | −0.030364 | 0.710761 | 0.899858 | 0.145* | |
| H15C | 0.137829 | 0.650364 | 0.952935 | 0.145* | |
| N1 | 0.2922 (4) | 0.5454 (4) | 0.7719 (2) | 0.0448 (8) | |
| C16 | 0.4576 (17) | 0.6215 (19) | 0.815 (2) | 0.061 (4) | 0.516 (8) |
| H16A | 0.487379 | 0.713730 | 0.775639 | 0.074* | 0.516 (8) |
| H16B | 0.447852 | 0.665014 | 0.890959 | 0.074* | 0.516 (8) |
| C17 | 0.5911 (12) | 0.5053 (11) | 0.8035 (8) | 0.065 (3) | 0.516 (8) |
| H17A | 0.563272 | 0.415235 | 0.843378 | 0.098* | 0.516 (8) |
| H17B | 0.698301 | 0.559271 | 0.831750 | 0.098* | 0.516 (8) |
| H17C | 0.601884 | 0.462995 | 0.727791 | 0.098* | 0.516 (8) |
| C16' | 0.4774 (18) | 0.575 (2) | 0.8054 (19) | 0.062 (4) | 0.484 (8) |
| H16C | 0.544874 | 0.496333 | 0.760003 | 0.074* | 0.484 (8) |
| H16D | 0.513676 | 0.685674 | 0.792220 | 0.074* | 0.484 (8) |
| C17' | 0.5149 (13) | 0.5600 (11) | 0.9178 (7) | 0.074 (3) | 0.484 (8) |
| H17D | 0.426986 | 0.611745 | 0.962205 | 0.110* | 0.484 (8) |
| H17E | 0.625043 | 0.613689 | 0.939854 | 0.110* | 0.484 (8) |
| H17F | 0.517878 | 0.444637 | 0.926528 | 0.110* | 0.484 (8) |