| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| Zn1 | 0.35835 (5) | 0.13597 (4) | 0.66026 (4) | 0.0310 (2) | |
| O1A | 0.4279 (3) | 0.2317 (3) | 0.6185 (2) | 0.0357 (9) | |
| O2A | 0.3745 (3) | 0.0160 (3) | 0.6213 (2) | 0.0387 (9) | |
| O3A | 0.4400 (3) | 0.3643 (3) | 0.5675 (2) | 0.0378 (9) | |
| O4A | 0.2400 (4) | 0.0727 (4) | 0.7382 (3) | 0.0599 (13) | |
| O5A | 0.4161 (3) | −0.1296 (2) | 0.63054 (19) | 0.0336 (8) | |
| O6A | 0.4062 (3) | 0.1582 (3) | 0.8736 (2) | 0.0381 (9) | |
| N1A | 0.2344 (3) | 0.1872 (3) | 0.6256 (2) | 0.0296 (9) | |
| N2A | 0.4552 (3) | 0.1178 (3) | 0.7425 (2) | 0.0294 (9) | |
| C1A | 0.5839 (5) | 0.4288 (5) | 0.5533 (4) | 0.0546 (17) | |
| H1AA | 0.652064 | 0.424680 | 0.566692 | 0.082* | |
| H1AB | 0.563027 | 0.487155 | 0.567718 | 0.082* | |
| H1AC | 0.565151 | 0.423313 | 0.503881 | 0.082* | |
| C2A | 0.5402 (4) | 0.3538 (4) | 0.5864 (4) | 0.0427 (14) | |
| H2AA | 0.559064 | 0.294447 | 0.570998 | 0.051* | |
| H2AB | 0.560679 | 0.357198 | 0.636359 | 0.051* | |
| C3A | 0.3870 (4) | 0.2986 (3) | 0.5886 (3) | 0.0308 (11) | |
| C4A | 0.2923 (4) | 0.3166 (3) | 0.5742 (3) | 0.0333 (11) | |
| H4AA | 0.273743 | 0.371701 | 0.551227 | 0.040* | |
| C5A | 0.2205 (4) | 0.2630 (3) | 0.5896 (3) | 0.0307 (11) | |
| C6A | 0.1225 (4) | 0.2945 (4) | 0.5617 (3) | 0.0407 (13) | |
| H6AA | 0.089920 | 0.304226 | 0.599082 | 0.061* | |
| H6AB | 0.089376 | 0.248593 | 0.530828 | 0.061* | |
| H6AC | 0.124397 | 0.351271 | 0.536915 | 0.061* | |
| C7A | 0.1500 (5) | 0.1396 (4) | 0.6387 (4) | 0.0441 (14) | |
| H7AA | 0.114516 | 0.180905 | 0.662741 | 0.053* | |
| H7AB | 0.109194 | 0.123153 | 0.594809 | 0.053* | |
| C8A | 0.1747 (5) | 0.0567 (5) | 0.6798 (4) | 0.0551 (18) | |
| H8AA | 0.117505 | 0.031666 | 0.692046 | 0.066* | |
| H8AB | 0.199421 | 0.010996 | 0.652223 | 0.066* | |
| C9A | 0.2629 (5) | −0.0069 (4) | 0.7766 (4) | 0.0471 (15) | |
| H9AA | 0.310156 | 0.006841 | 0.817306 | 0.071* | |
| H9AB | 0.287574 | −0.051946 | 0.749208 | 0.071* | |
| H9AC | 0.206749 | −0.030789 | 0.789955 | 0.071* | |
| C10A | 0.3544 (5) | −0.2377 (5) | 0.5466 (4) | 0.0507 (16) | |
| H10A | 0.324122 | −0.246308 | 0.498918 | 0.076* | |
| H10B | 0.316328 | −0.265642 | 0.575795 | 0.076* | |
| H10C | 0.416370 | −0.265792 | 0.555085 | 0.076* | |
| C11A | 0.3641 (5) | −0.1402 (4) | 0.5616 (3) | 0.0425 (14) | |
| H11A | 0.397559 | −0.110298 | 0.529497 | 0.051* | |
| H11B | 0.301623 | −0.112036 | 0.556678 | 0.051* | |
| C12A | 0.4215 (4) | −0.0453 (3) | 0.6573 (3) | 0.0285 (10) | |
| C13A | 0.4795 (4) | −0.0382 (3) | 0.7205 (3) | 0.0281 (10) | |
| H13A | 0.509933 | −0.091839 | 0.739392 | 0.034* | |
| C14A | 0.4976 (3) | 0.0410 (3) | 0.7595 (3) | 0.0261 (10) | |
| C15A | 0.5742 (4) | 0.0330 (4) | 0.8228 (3) | 0.0335 (11) | |
| H15A | 0.552400 | 0.059895 | 0.861251 | 0.050* | |
| H15B | 0.630200 | 0.064945 | 0.815761 | 0.050* | |
| H15C | 0.589160 | −0.030845 | 0.832241 | 0.050* | |
| C16A | 0.4798 (4) | 0.1990 (3) | 0.7836 (3) | 0.0320 (11) | |
| H16A | 0.489866 | 0.249702 | 0.753800 | 0.038* | |
| H16B | 0.539023 | 0.188423 | 0.816527 | 0.038* | |
| C17A | 0.4043 (4) | 0.2243 (4) | 0.8214 (3) | 0.0338 (11) | |
| H17A | 0.416101 | 0.285244 | 0.841526 | 0.041* | |
| H17B | 0.342492 | 0.224453 | 0.790183 | 0.041* | |
| C18A | 0.3342 (5) | 0.1735 (5) | 0.9087 (4) | 0.0500 (16) | |
| H18A | 0.338404 | 0.129244 | 0.945369 | 0.075* | |
| H18B | 0.273718 | 0.167358 | 0.877353 | 0.075* | |
| H18C | 0.340015 | 0.234610 | 0.927785 | 0.075* | |
| Zn2 | 0.85410 (5) | 0.09199 (5) | 0.66562 (4) | 0.0317 (2) | |
| O1B | 0.9268 (3) | 0.0149 (3) | 0.6119 (2) | 0.0359 (9) | |
| O2B | 0.8621 (3) | 0.2179 (2) | 0.6254 (2) | 0.0366 (9) | |
| O3B | 0.9421 (3) | −0.1030 (3) | 0.5452 (3) | 0.0504 (12) | |
| O4B | 0.7311 (3) | 0.1518 (3) | 0.7363 (2) | 0.0416 (10) | |
| O5B | 0.9141 (3) | 0.3605 (3) | 0.6238 (2) | 0.0409 (10) | |
| O6B | 0.8534 (3) | −0.0450 (3) | 0.7393 (2) | 0.0410 (9) | |
| N1B | 0.7292 (3) | 0.0503 (3) | 0.6164 (2) | 0.0298 (9) | |
| N2B | 0.9467 (3) | 0.1229 (3) | 0.7504 (3) | 0.0351 (10) | |
| C1B | 1.0900 (6) | −0.1661 (6) | 0.5398 (5) | 0.058 (2) | 0.717 (13) |
| H1B1 | 1.064868 | −0.225616 | 0.547854 | 0.087* | 0.717 (13) |
| H1B2 | 1.157226 | −0.164792 | 0.559060 | 0.087* | 0.717 (13) |
| H1B3 | 1.079517 | −0.154666 | 0.490931 | 0.087* | 0.717 (13) |
| C2B | 1.0416 (7) | −0.0943 (6) | 0.5732 (6) | 0.054 (2) | 0.717 (13) |
| H2B1 | 1.054296 | −0.103284 | 0.623011 | 0.065* | 0.717 (13) |
| H2B2 | 1.064031 | −0.033569 | 0.563575 | 0.065* | 0.717 (13) |
| C1D | 1.0829 (14) | −0.1511 (10) | 0.6037 (8) | 0.056 (3) | 0.283 (13) |
| H1D1 | 1.056637 | −0.139070 | 0.643915 | 0.084* | 0.283 (13) |
| H1D2 | 1.150822 | −0.142764 | 0.615077 | 0.084* | 0.283 (13) |
| H1D3 | 1.068639 | −0.213407 | 0.588584 | 0.084* | 0.283 (13) |
| C2D | 1.0410 (18) | −0.0867 (11) | 0.5477 (8) | 0.054 (3) | 0.283 (13) |
| H2D1 | 1.058486 | −0.023274 | 0.559738 | 0.065* | 0.283 (13) |
| H2D2 | 1.059044 | −0.102287 | 0.504327 | 0.065* | 0.283 (13) |
| C3B | 0.8874 (4) | −0.0465 (4) | 0.5736 (3) | 0.0348 (12) | |
| C4B | 0.7930 (4) | −0.0664 (4) | 0.5550 (3) | 0.0367 (12) | |
| H4BA | 0.776373 | −0.116307 | 0.525303 | 0.044* | |
| C5B | 0.7193 (4) | −0.0205 (4) | 0.5756 (3) | 0.0316 (11) | |
| C6B | 0.6228 (4) | −0.0594 (4) | 0.5486 (3) | 0.0417 (14) | |
| H6BA | 0.595931 | −0.080524 | 0.586662 | 0.063* | |
| H6BB | 0.627730 | −0.110194 | 0.518323 | 0.063* | |
| H6BC | 0.582572 | −0.012613 | 0.523557 | 0.063* | |
| C7B | 0.6456 (4) | 0.0888 (4) | 0.6343 (3) | 0.0371 (12) | |
| H7BA | 0.617737 | 0.043994 | 0.660856 | 0.044* | |
| H7BB | 0.599232 | 0.102002 | 0.592303 | 0.044* | |
| C8B | 0.6667 (4) | 0.1750 (4) | 0.6755 (3) | 0.0411 (14) | |
| H8BA | 0.694399 | 0.220785 | 0.649594 | 0.049* | |
| H8BB | 0.608736 | 0.200129 | 0.686307 | 0.049* | |
| C9B | 0.7565 (5) | 0.2290 (5) | 0.7778 (4) | 0.0518 (17) | |
| H9BA | 0.800679 | 0.211271 | 0.819136 | 0.078* | |
| H9BB | 0.700500 | 0.255088 | 0.789992 | 0.078* | |
| H9BC | 0.785691 | 0.273847 | 0.752968 | 0.078* | |
| C10B | 0.8568 (10) | 0.4667 (6) | 0.5372 (7) | 0.056 (3) | 0.68 (3) |
| H10G | 0.817213 | 0.502189 | 0.561370 | 0.083* | 0.68 (3) |
| H10H | 0.833107 | 0.471962 | 0.488221 | 0.083* | 0.68 (3) |
| H10I | 0.920972 | 0.489476 | 0.548616 | 0.083* | 0.68 (3) |
| C11B | 0.8552 (12) | 0.3684 (6) | 0.5581 (7) | 0.0503 (18) | 0.68 (3) |
| H11E | 0.790662 | 0.349670 | 0.559684 | 0.060* | 0.68 (3) |
| H11F | 0.878482 | 0.329484 | 0.525158 | 0.060* | 0.68 (3) |
| C10D | 0.8820 (18) | 0.4511 (9) | 0.5240 (10) | 0.054 (3) | 0.32 (3) |
| H10D | 0.880279 | 0.502662 | 0.554221 | 0.081* | 0.32 (3) |
| H10E | 0.836771 | 0.460627 | 0.481408 | 0.081* | 0.32 (3) |
| H10F | 0.944796 | 0.445283 | 0.514391 | 0.081* | 0.32 (3) |
| C11D | 0.857 (2) | 0.3656 (9) | 0.5578 (11) | 0.051 (2) | 0.32 (3) |
| H11C | 0.790534 | 0.366555 | 0.560710 | 0.061* | 0.32 (3) |
| H11D | 0.868203 | 0.312119 | 0.530835 | 0.061* | 0.32 (3) |
| C12B | 0.9140 (4) | 0.2785 (3) | 0.6554 (3) | 0.0330 (11) | |
| C13B | 0.9754 (4) | 0.2754 (4) | 0.7185 (3) | 0.0349 (12) | |
| H13B | 1.009261 | 0.328896 | 0.733501 | 0.042* | |
| C14B | 0.9910 (3) | 0.2003 (4) | 0.7615 (3) | 0.0332 (12) | |
| C15B | 1.0658 (5) | 0.2141 (5) | 0.8255 (4) | 0.0558 (18) | |
| H15D | 1.111591 | 0.165104 | 0.829503 | 0.084* | |
| H15E | 1.036701 | 0.213985 | 0.865293 | 0.084* | |
| H15F | 1.097111 | 0.272146 | 0.822763 | 0.084* | |
| C16B | 0.9706 (5) | 0.0497 (4) | 0.7992 (4) | 0.0479 (16) | |
| H16C | 0.998356 | 0.075424 | 0.844182 | 0.058* | |
| H16D | 1.018013 | 0.010487 | 0.785051 | 0.058* | |
| C17B | 0.8880 (5) | −0.0057 (4) | 0.8052 (3) | 0.0461 (15) | |
| H17C | 0.906039 | −0.053657 | 0.839618 | 0.055* | |
| H17D | 0.839432 | 0.032532 | 0.818823 | 0.055* | |
| C18B | 0.7731 (5) | −0.1005 (5) | 0.7379 (4) | 0.0502 (16) | |
| H18D | 0.754932 | −0.128955 | 0.693186 | 0.075* | |
| H18E | 0.721432 | −0.063302 | 0.746750 | 0.075* | |
| H18F | 0.787777 | −0.147470 | 0.772798 | 0.075* |