| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| Cl1 | −0.28100 (5) | 0.74811 (5) | 0.30473 (4) | 0.02708 (10) | |
| O1 | 0.36924 (19) | 0.62233 (15) | 0.52135 (12) | 0.0328 (3) | |
| H1 | 0.4258 | 0.5340 | 0.5280 | 0.039* | 0.50 |
| H1A | 0.4024 | 0.7019 | 0.5320 | 0.039* | 0.50 |
| C1 | 0.2194 (2) | 0.65320 (17) | 0.46838 (13) | 0.0186 (3) | |
| C2 | 0.20646 (19) | 0.56371 (16) | 0.38898 (12) | 0.0173 (3) | |
| H2B | 0.3035 | 0.4836 | 0.3702 | 0.021* | |
| C3 | 0.05376 (19) | 0.58914 (16) | 0.33626 (11) | 0.0157 (2) | |
| C4 | −0.08454 (19) | 0.70975 (17) | 0.36563 (12) | 0.0171 (3) | |
| C5 | −0.0719 (2) | 0.80067 (17) | 0.44421 (13) | 0.0192 (3) | |
| H5A | −0.1676 | 0.8822 | 0.4622 | 0.023* | |
| C6 | 0.0802 (2) | 0.77258 (17) | 0.49633 (12) | 0.0197 (3) | |
| H6A | 0.0894 | 0.8340 | 0.5505 | 0.024* | |
| C7 | 0.0464 (2) | 0.49276 (18) | 0.24819 (13) | 0.0207 (3) | |
| H7A | −0.0793 | 0.4686 | 0.2557 | 0.025* | |
| H7B | 0.1272 | 0.3910 | 0.2611 | 0.025* | |
| C8 | 0.1054 (3) | 0.5813 (2) | 0.12819 (13) | 0.0276 (3) | |
| H8A | 0.1021 | 0.5144 | 0.0733 | 0.041* | |
| H8B | 0.2294 | 0.6062 | 0.1207 | 0.041* | |
| H8C | 0.0223 | 0.6799 | 0.1140 | 0.041* | |
| Cl2 | 0.36637 (6) | 0.24774 (5) | −0.04071 (3) | 0.02827 (10) | |
| O2 | 0.53688 (18) | 0.12745 (14) | 0.41968 (10) | 0.0271 (3) | |
| H2 | 0.5511 | 0.2054 | 0.4427 | 0.033* | 0.50 |
| H2A | 0.5219 | 0.0420 | 0.4598 | 0.033* | 0.50 |
| C9 | 0.4935 (2) | 0.15527 (17) | 0.31266 (12) | 0.0171 (3) | |
| C10 | 0.37918 (19) | 0.06378 (16) | 0.28560 (12) | 0.0172 (3) | |
| H10A | 0.3293 | −0.0170 | 0.3419 | 0.021* | |
| C11 | 0.33641 (19) | 0.08887 (17) | 0.17674 (12) | 0.0172 (3) | |
| C12 | 0.4129 (2) | 0.20931 (18) | 0.09713 (12) | 0.0188 (3) | |
| C13 | 0.5254 (2) | 0.30228 (18) | 0.12387 (13) | 0.0204 (3) | |
| H13A | 0.5744 | 0.3839 | 0.0679 | 0.024* | |
| C14 | 0.5662 (2) | 0.27599 (18) | 0.23228 (13) | 0.0195 (3) | |
| H14A | 0.6426 | 0.3394 | 0.2513 | 0.023* | |
| C15 | 0.2080 (2) | −0.00900 (19) | 0.15052 (14) | 0.0233 (3) | |
| H15A | 0.2089 | −0.1105 | 0.2046 | 0.028* | |
| H15B | 0.2514 | −0.0339 | 0.0736 | 0.028* | |
| C16 | 0.0132 (2) | 0.0767 (2) | 0.15729 (16) | 0.0292 (3) | |
| H16A | −0.0649 | 0.0098 | 0.1385 | 0.044* | |
| H16B | 0.0116 | 0.1770 | 0.1036 | 0.044* | |
| H16C | −0.0320 | 0.0981 | 0.2341 | 0.044* |