| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.02408 (6) | 0.70387 (4) | 0.59960 (9) | 0.1206 (3) | |
| S1 | 0.46203 (3) | 0.39223 (3) | 0.44117 (3) | 0.0559 (2) | |
| O1 | 0.29216 (10) | 0.40983 (10) | 0.48366 (10) | 0.0696 (4) | |
| N1 | 0.40090 (10) | 0.41256 (9) | 0.63283 (11) | 0.0496 (3) | |
| N2 | 0.55713 (11) | 0.40575 (9) | 0.63079 (12) | 0.0530 (4) | |
| C1 | 0.24241 (12) | 0.41401 (12) | 0.65622 (13) | 0.0534 (4) | |
| C2 | 0.18766 (12) | 0.48677 (12) | 0.64116 (13) | 0.0531 (4) | |
| C3 | 0.18371 (13) | 0.53424 (12) | 0.72811 (17) | 0.0611 (5) | |
| C4 | 0.13313 (17) | 0.60024 (12) | 0.7171 (2) | 0.0739 (6) | |
| C5 | 0.08679 (16) | 0.61988 (13) | 0.6158 (2) | 0.0756 (6) | |
| C6 | 0.08973 (17) | 0.57396 (14) | 0.5282 (2) | 0.0790 (6) | |
| C7 | 0.13902 (13) | 0.50774 (13) | 0.54031 (16) | 0.0667 (5) | |
| C8 | 0.31263 (12) | 0.41250 (11) | 0.58189 (13) | 0.0506 (4) | |
| C9 | 0.47375 (12) | 0.40501 (10) | 0.57886 (13) | 0.0452 (4) | |
| C10 | 0.61571 (13) | 0.39512 (12) | 0.55850 (16) | 0.0583 (5) | |
| C11 | 0.57888 (13) | 0.38625 (12) | 0.45425 (16) | 0.0563 (5) | |
| C12 | 0.62499 (18) | 0.37260 (17) | 0.35901 (19) | 0.0818 (7) | |
| C13 | 0.18427 (14) | 0.34156 (12) | 0.63811 (17) | 0.0646 (5) | |
| C14 | 0.24379 (18) | 0.27066 (14) | 0.6583 (2) | 0.0850 (7) | |
| C15 | 0.11223 (17) | 0.34038 (16) | 0.7103 (2) | 0.0856 (7) | |
| H1 | 0.2751 | 0.4131 | 0.7309 | 0.064* | |
| H3 | 0.2160 | 0.5213 | 0.7957 | 0.073* | |
| H4 | 0.1303 | 0.6309 | 0.7766 | 0.089* | |
| H6 | 0.0583 | 0.5877 | 0.4605 | 0.095* | |
| H7 | 0.1400 | 0.4765 | 0.4808 | 0.080* | |
| H10 | 0.6782 | 0.3942 | 0.5812 | 0.070* | |
| H13 | 0.1535 | 0.3409 | 0.5626 | 0.078* | |
| H111 | 0.4119 | 0.4175 | 0.7020 | 0.060* | |
| H121 | 0.6896 | 0.3732 | 0.3823 | 0.098* | |
| H122 | 0.6081 | 0.4118 | 0.3062 | 0.098* | |
| H123 | 0.6068 | 0.3241 | 0.3276 | 0.098* | |
| H141 | 0.2729 | 0.2694 | 0.7326 | 0.102* | |
| H142 | 0.2890 | 0.2719 | 0.6126 | 0.102* | |
| H143 | 0.2068 | 0.2262 | 0.6422 | 0.102* | |
| H151 | 0.0750 | 0.2960 | 0.6946 | 0.103* | |
| H152 | 0.0752 | 0.3850 | 0.6972 | 0.103* | |
| H153 | 0.1412 | 0.3393 | 0.7848 | 0.103* |