x | y | z | Uiso*/Ueq | ||
Br1 | 0.49964 (2) | 0.72932 (3) | 0.49158 (6) | 0.02765 (8) | |
Br2 | 0.44572 (2) | 0.50470 (2) | 0.51189 (7) | 0.02906 (8) | |
Br3 | −0.10955 (3) | 0.24165 (3) | 0.55241 (7) | 0.03182 (9) | |
O1 | 0.1810 (2) | 1.1045 (2) | 0.3729 (4) | 0.0333 (6) | |
O2 | 0.1662 (3) | 1.1002 (2) | 0.6323 (4) | 0.0326 (6) | |
N1 | 0.18506 (19) | 1.0613 (2) | 0.5020 (5) | 0.0231 (5) | |
N2 | 0.24431 (19) | 0.57755 (19) | 0.5188 (4) | 0.0207 (5) | |
N3 | 0.15599 (19) | 0.5982 (2) | 0.5376 (4) | 0.0228 (6) | |
C1 | 0.4020 (2) | 0.6350 (2) | 0.5012 (6) | 0.0222 (6) | |
C2 | 0.3073 (2) | 0.6586 (2) | 0.5080 (5) | 0.0205 (5) | |
C3 | 0.2727 (2) | 0.7629 (2) | 0.5040 (5) | 0.0196 (5) | |
C4 | 0.2373 (3) | 0.8055 (3) | 0.6449 (5) | 0.0221 (6) | |
H4 | 0.233234 | 0.767615 | 0.741062 | 0.027* | |
C5 | 0.2076 (3) | 0.9043 (3) | 0.6441 (5) | 0.0222 (6) | |
H5 | 0.184039 | 0.934772 | 0.739348 | 0.027* | |
C6 | 0.2136 (2) | 0.9563 (2) | 0.5016 (5) | 0.0212 (5) | |
C7 | 0.2468 (3) | 0.9148 (3) | 0.3596 (5) | 0.0249 (7) | |
H7 | 0.248972 | 0.952162 | 0.262834 | 0.030* | |
C8 | 0.2769 (3) | 0.8171 (3) | 0.3629 (5) | 0.0235 (6) | |
H8 | 0.300598 | 0.787169 | 0.267351 | 0.028* | |
C9 | 0.0971 (2) | 0.5110 (2) | 0.5422 (5) | 0.0208 (6) | |
C10 | 0.0066 (3) | 0.5207 (3) | 0.6113 (5) | 0.0251 (7) | |
H10 | −0.013356 | 0.582330 | 0.654399 | 0.030* | |
C11 | −0.0553 (3) | 0.4391 (3) | 0.6172 (5) | 0.0262 (7) | |
H11 | −0.117165 | 0.444374 | 0.665505 | 0.031* | |
C12 | −0.0249 (3) | 0.3509 (2) | 0.5516 (5) | 0.0243 (6) | |
C13 | 0.0662 (2) | 0.3397 (2) | 0.4837 (5) | 0.0246 (7) | |
H13 | 0.085933 | 0.277960 | 0.440465 | 0.030* | |
C14 | 0.1275 (2) | 0.4203 (2) | 0.4803 (5) | 0.0236 (6) | |
H14 | 0.190380 | 0.413915 | 0.435972 | 0.028* |