x | y | z | Uiso*/Ueq | ||
S1 | 0.205499 (17) | 0.54226 (7) | 0.300571 (14) | 0.01597 (9) | |
O1 | 0.18726 (5) | 0.4208 (2) | 0.24808 (4) | 0.0172 (2) | |
O2 | 0.19895 (5) | 0.3440 (2) | 0.33919 (4) | 0.0183 (2) | |
O3 | 0.15849 (5) | 0.7045 (2) | 0.30865 (4) | 0.0221 (2) | |
O4 | 0.27060 (5) | 0.6040 (2) | 0.30274 (4) | 0.0248 (3) | |
Cl1 | −0.064775 (19) | 1.32997 (7) | 0.026719 (15) | 0.02388 (10) | |
Cl2 | 0.279773 (19) | 0.45519 (7) | 0.437358 (15) | 0.02180 (10) | |
Cl3 | 0.333188 (17) | 0.00690 (7) | 0.427046 (15) | 0.02125 (10) | |
Cl4 | 0.199083 (17) | 0.05436 (7) | 0.434813 (14) | 0.01980 (10) | |
C1 | 0.01131 (7) | 0.7573 (3) | 0.13260 (5) | 0.0141 (3) | |
C2 | −0.05371 (7) | 0.8102 (3) | 0.12421 (6) | 0.0169 (3) | |
H2 | −0.0823 | 0.7255 | 0.1414 | 0.020* | |
C3 | −0.07744 (7) | 0.9834 (3) | 0.09145 (6) | 0.0182 (3) | |
H3 | −0.1217 | 1.0176 | 0.0863 | 0.022* | |
C4 | −0.03566 (7) | 1.1058 (3) | 0.06635 (6) | 0.0173 (3) | |
C5 | 0.02901 (7) | 1.0572 (3) | 0.07324 (6) | 0.0179 (3) | |
H5 | 0.0571 | 1.1412 | 0.0555 | 0.021* | |
C6 | 0.05201 (7) | 0.8843 (3) | 0.10634 (6) | 0.0169 (3) | |
H6 | 0.0964 | 0.8512 | 0.1114 | 0.020* | |
C1' | 0.03627 (7) | 0.5740 (3) | 0.16854 (5) | 0.0139 (3) | |
C2' | 0.09909 (7) | 0.5839 (3) | 0.19354 (5) | 0.0147 (3) | |
H2' | 0.1259 | 0.7090 | 0.1881 | 0.018* | |
C3' | 0.12148 (7) | 0.4097 (3) | 0.22605 (5) | 0.0150 (3) | |
C4' | 0.08533 (7) | 0.2238 (3) | 0.23630 (6) | 0.0169 (3) | |
H4' | 0.1025 | 0.1062 | 0.2588 | 0.020* | |
C5' | 0.02240 (7) | 0.2170 (3) | 0.21209 (6) | 0.0175 (3) | |
H5' | −0.0044 | 0.0935 | 0.2186 | 0.021* | |
C6' | −0.00152 (7) | 0.3877 (3) | 0.17880 (5) | 0.0155 (3) | |
H6' | −0.0444 | 0.3785 | 0.1625 | 0.019* | |
C7 | 0.25272 (7) | 0.1927 (3) | 0.35354 (6) | 0.0166 (3) | |
H7A | 0.2910 | 0.2522 | 0.3406 | 0.020* | |
H7B | 0.2431 | 0.0387 | 0.3391 | 0.020* | |
C8 | 0.26470 (7) | 0.1800 (3) | 0.41106 (6) | 0.0153 (3) |