x | y | z | Uiso*/Ueq | ||
Br1 | 0.8061 (2) | 0.6867 (1) | 0.3991 (1) | 0.0585 (5) | |
Br2 | 0.2324 (2) | 0.0800 (1) | 0.0428 (2) | 0.0527 (5) | |
Cl1 | 0.9770 (5) | 0.5167 (4) | 0.0779 (3) | 0.057 (1) | |
Cl2 | 0.5654 (5) | 0.0565 (3) | 0.3603 (3) | 0.052 (1) | |
N1 | 0.9460 (14) | 0.3064 (10) | 0.1658 (8) | 0.041 (3) | |
N2 | 0.8319 (15) | 0.1842 (9) | 0.2739 (8) | 0.044 (3) | |
C1 | 0.9798 (19) | 0.2123 (12) | 0.2198 (10) | 0.044 (4) | |
C2 | 0.8998 (18) | 0.3929 (12) | 0.2193 (10) | 0.043 (4) | |
C3 | 0.8445 (18) | 0.3790 (11) | 0.3054 (8) | 0.041 (4) | |
C4 | 0.817 (2) | 0.2693 (12) | 0.3414 (8) | 0.049 (4) | |
C5 | 0.6842 (19) | 0.1696 (11) | 0.2226 (9) | 0.039 (4) | |
C6 | 0.6740 (19) | 0.2086 (11) | 0.1360 (9) | 0.036 (4) | |
C7 | 0.8206 (17) | 0.2753 (12) | 0.0978 (9) | 0.040 (4) | |
C8 | 0.9155 (17) | 0.4984 (13) | 0.1855 (9) | 0.043 (4) | |
C9 | 0.8825 (19) | 0.5861 (12) | 0.2397 (11) | 0.048 (4) | |
C10 | 0.839 (2) | 0.5684 (13) | 0.3247 (11) | 0.050 (4) | |
C11 | 0.818 (2) | 0.4666 (13) | 0.3570 (10) | 0.056 (4) | |
C12 | 0.5565 (17) | 0.1082 (10) | 0.2538 (8) | 0.031 (3) | |
C13 | 0.4158 (17) | 0.0854 (10) | 0.2036 (8) | 0.035 (3) | |
C14 | 0.4117 (17) | 0.1221 (11) | 0.1168 (9) | 0.040 (4) | |
C15 | 0.5433 (19) | 0.1819 (10) | 0.0853 (9) | 0.034 (3) | |
H1C1 | 1.0780 | 0.2273 | 0.2593 | 0.044 | |
H2C1 | 1.0078 | 0.1513 | 0.1804 | 0.044 | |
H1C4 | 0.7008 | 0.2660 | 0.3674 | 0.049 | |
H2C4 | 0.9027 | 0.2559 | 0.3883 | 0.049 | |
H1C7 | 0.7726 | 0.3410 | 0.0708 | 0.040 | |
H2C7 | 0.8794 | 0.2326 | 0.0517 | 0.040 | |
HC9 | 0.8906 | 0.6600 | 0.2162 | 0.048 | |
HC11 | 0.7825 | 0.4567 | 0.4195 | 0.056 | |
HC13 | 0.3194 | 0.0438 | 0.2286 | 0.035 | |
HC15 | 0.5411 | 0.2061 | 0.0228 | 0.034 |