x | y | z | Uiso*/Ueq | ||
Au1 | 0.09315 (2) | 0.750000 | 0.04663 (2) | 0.01176 (7) | |
Br1 | −0.07000 (6) | 0.750000 | 0.15933 (4) | 0.01882 (14) | |
Br2 | −0.08081 (6) | 0.750000 | −0.06122 (4) | 0.01351 (13) | |
Br3 | 0.26712 (6) | 0.750000 | 0.15298 (4) | 0.02039 (15) | |
N11 | 0.2339 (5) | 0.750000 | −0.0523 (3) | 0.0161 (11) | |
H01 | 0.184 (7) | 0.750000 | −0.099 (4) | 0.013 (17)* | |
C12 | 0.3183 (4) | 0.9225 (6) | −0.0547 (3) | 0.0182 (9) | |
H12A | 0.373767 | 0.928684 | −0.002574 | 0.022* | |
H12B | 0.259617 | 1.034089 | −0.055751 | 0.022* | |
C13 | 0.4087 (4) | 0.9241 (6) | −0.1324 (3) | 0.0193 (9) | |
H13A | 0.465879 | 1.037237 | −0.131098 | 0.023* | |
H13B | 0.353144 | 0.929562 | −0.184542 | 0.023* | |
C14 | 0.4975 (6) | 0.750000 | −0.1354 (4) | 0.0152 (12) | |
H14 | 0.554971 | 0.750002 | −0.083321 | 0.018* | |
C15 | 0.5896 (7) | 0.750000 | −0.2129 (4) | 0.0253 (16) | |
H15A | 0.534829 | 0.750000 | −0.264018 | 0.038* | |
H15B | 0.647617 | 0.860443 | −0.211145 | 0.038* |