| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.43760 (4) | 0.34411 (8) | 0.78566 (6) | 0.04706 (19) | |
| O1 | 0.06760 (8) | 0.42742 (17) | 0.78729 (10) | 0.0207 (3) | |
| O2 | 0.08852 (9) | 0.22946 (18) | 0.93513 (11) | 0.0261 (3) | |
| O3 | −0.19477 (9) | 0.33623 (17) | 0.87422 (11) | 0.0257 (3) | |
| O4 | −0.05715 (9) | 0.31077 (18) | 1.01368 (11) | 0.0282 (3) | |
| C1 | 0.32829 (13) | 0.3605 (3) | 0.78930 (18) | 0.0278 (5) | |
| C2 | 0.25165 (13) | 0.3316 (3) | 0.69014 (17) | 0.0268 (4) | |
| H2 | 0.2583 | 0.2995 | 0.6212 | 0.032* | |
| C3 | 0.16458 (13) | 0.3502 (2) | 0.69216 (16) | 0.0224 (4) | |
| H3 | 0.1108 | 0.3305 | 0.6249 | 0.027* | |
| C4 | 0.15761 (12) | 0.3978 (2) | 0.79363 (15) | 0.0198 (4) | |
| C5 | 0.23437 (13) | 0.4279 (3) | 0.89344 (15) | 0.0233 (4) | |
| H5 | 0.2278 | 0.4620 | 0.9621 | 0.028* | |
| C6 | 0.32111 (13) | 0.4072 (3) | 0.89098 (17) | 0.0281 (4) | |
| H6 | 0.3750 | 0.4249 | 0.9585 | 0.034* | |
| C7 | 0.03900 (13) | 0.3290 (2) | 0.85939 (15) | 0.0194 (4) | |
| C8 | −0.06155 (12) | 0.3544 (2) | 0.82490 (15) | 0.0189 (4) | |
| C9 | −0.09937 (13) | 0.3309 (2) | 0.91268 (16) | 0.0216 (4) | |
| C10 | −0.25169 (13) | 0.3560 (2) | 0.76084 (16) | 0.0235 (4) | |
| C11 | −0.21523 (13) | 0.3850 (2) | 0.67830 (16) | 0.0218 (4) | |
| C12 | −0.11740 (13) | 0.3840 (2) | 0.71464 (15) | 0.0199 (4) | |
| H12 | −0.0910 | 0.4045 | 0.6600 | 0.024* | |
| C13 | −0.27666 (14) | 0.4046 (3) | 0.56409 (17) | 0.0276 (4) | |
| H13 | −0.2535 | 0.4265 | 0.5065 | 0.033* | |
| C14 | −0.37008 (14) | 0.3924 (3) | 0.53509 (18) | 0.0338 (5) | |
| H14 | −0.4114 | 0.4052 | 0.4575 | 0.041* | |
| C15 | −0.40409 (14) | 0.3612 (3) | 0.6193 (2) | 0.0352 (5) | |
| H15 | −0.4688 | 0.3515 | 0.5985 | 0.042* | |
| C16 | −0.34558 (14) | 0.3440 (3) | 0.73263 (19) | 0.0305 (5) | |
| H16 | −0.3692 | 0.3243 | 0.7900 | 0.037* |