| x | y | z | Uiso*/Ueq | ||
| C3 | 0.2646 (4) | 0.9772 (3) | 0.4633 (5) | 0.0233 (13) | |
| H3A | 0.2439 | 1.0130 | 0.5173 | 0.028* | |
| H3B | 0.2335 | 0.9859 | 0.3748 | 0.028* | |
| C4 | 0.3620 (4) | 0.9877 (3) | 0.4750 (5) | 0.0243 (13) | |
| H4A | 0.3815 | 0.9562 | 0.4132 | 0.029* | |
| H4B | 0.3734 | 1.0383 | 0.4551 | 0.029* | |
| C5 | 0.4128 (4) | 0.9694 (3) | 0.6083 (5) | 0.0267 (13) | |
| H5A | 0.4755 | 0.9727 | 0.6122 | 0.032* | |
| H5B | 0.3985 | 1.0045 | 0.6691 | 0.032* | |
| C6 | 0.3905 (4) | 0.8933 (3) | 0.6443 (6) | 0.0255 (14) | |
| H6A | 0.4109 | 0.8580 | 0.5892 | 0.031* | |
| H6B | 0.4210 | 0.8833 | 0.7326 | 0.031* | |
| C7 | 0.2938 (4) | 0.8839 (3) | 0.6313 (5) | 0.0220 (13) | |
| H7A | 0.2816 | 0.8332 | 0.6501 | 0.026* | |
| H7B | 0.2746 | 0.9151 | 0.6937 | 0.026* | |
| C11 | −0.0526 (3) | 0.8256 (3) | 0.5180 (4) | 0.0175 (11) | |
| C12 | −0.0838 (4) | 0.8538 (3) | 0.6181 (5) | 0.0193 (11) | |
| H12 | −0.0832 | 0.9044 | 0.6328 | 0.023* | |
| C13 | −0.1159 (3) | 0.8069 (3) | 0.6957 (5) | 0.0205 (12) | |
| H13 | −0.1370 | 0.8248 | 0.7649 | 0.025* | |
| C14 | −0.1167 (4) | 0.7338 (3) | 0.6710 (5) | 0.0225 (12) | |
| C15 | −0.0857 (4) | 0.7057 (3) | 0.5722 (5) | 0.0266 (14) | |
| H15 | −0.0870 | 0.6552 | 0.5571 | 0.032* | |
| C16 | −0.0528 (4) | 0.7522 (3) | 0.4957 (5) | 0.0218 (12) | |
| H16 | −0.0303 | 0.7339 | 0.4280 | 0.026* | |
| Cl8 | 0.10439 (9) | 0.97037 (6) | 0.62798 (11) | 0.0190 (3) | |
| Cl9 | 0.12310 (9) | 0.80109 (7) | 0.32660 (11) | 0.0212 (3) | |
| N2 | 0.2441 (3) | 0.9028 (2) | 0.5016 (4) | 0.0160 (9) | |
| H2 | 0.2629 | 0.8713 | 0.4469 | 0.019* | |
| N10 | −0.0192 (3) | 0.8739 (2) | 0.4368 (4) | 0.0157 (9) | |
| H10A | −0.0439 | 0.9185 | 0.4409 | 0.019* | |
| H10B | −0.0373 | 0.8576 | 0.3552 | 0.019* | |
| N17 | −0.1522 (3) | 0.6855 (3) | 0.7523 (4) | 0.0294 (12) | |
| O18 | −0.1616 (3) | 0.7083 (2) | 0.8546 (3) | 0.0316 (10) | |
| O19 | −0.1721 (4) | 0.6237 (2) | 0.7150 (4) | 0.0464 (14) | |
| Pt1 | 0.113556 (13) | 0.887195 (10) | 0.474086 (16) | 0.01473 (9) |