| x | y | z | Uiso*/Ueq | ||
| Ir1 | 0.64307 (2) | 0.65568 (2) | 0.81418 (2) | 0.01042 (5) | |
| Cl1 | 0.82335 (16) | 0.93834 (15) | 0.74853 (14) | 0.0167 (2) | |
| Cl2 | 0.72146 (16) | 0.65918 (17) | 0.53518 (13) | 0.0177 (2) | |
| Cl3 | 0.45411 (15) | 0.36814 (14) | 0.89543 (12) | 0.01298 (19) | |
| O1 | 0.9022 (5) | 0.5412 (5) | 0.8390 (4) | 0.0169 (7) | |
| H1 | 1.0118 (19) | 0.603 (3) | 0.785 (5) | 0.025* | |
| O2 | 0.3880 (4) | 0.7770 (5) | 0.7908 (4) | 0.0151 (6) | |
| H2 | 0.328 (5) | 0.759 (4) | 0.720 (4) | 0.023* | |
| C1 | 0.9356 (7) | 0.3485 (7) | 0.8412 (6) | 0.0208 (10) | |
| H1A | 0.9287 | 0.3317 | 0.7366 | 0.031* | |
| H1B | 0.8388 | 0.2669 | 0.9302 | 0.031* | |
| H1C | 1.0615 | 0.3197 | 0.8584 | 0.031* | |
| C2 | 0.3605 (8) | 0.9702 (7) | 0.7877 (7) | 0.0274 (12) | |
| H2A | 0.4497 | 1.0503 | 0.6912 | 0.041* | |
| H2B | 0.3835 | 0.9897 | 0.8868 | 0.041* | |
| H2C | 0.2303 | 0.9984 | 0.7831 | 0.041* | |
| O3 | 0.2082 (5) | 0.7157 (5) | 0.5754 (4) | 0.0182 (7) | |
| H3A | 0.2516 | 0.6327 | 0.5284 | 0.027* | |
| H3B | 0.2060 | 0.8178 | 0.5013 | 0.027* |