x | y | z | Uiso*/Ueq | ||
C1 | 0.8267 (2) | 0.79164 (11) | 0.32984 (7) | 0.00863 (16) | |
C2 | 0.9897 (2) | 0.96649 (11) | 0.32560 (7) | 0.00871 (16) | |
C3 | 0.8979 (2) | 1.06490 (11) | 0.24763 (7) | 0.00957 (17) | |
C4 | 0.6603 (2) | 0.99896 (12) | 0.17358 (7) | 0.01093 (17) | |
H4 | 0.604630 | 1.069994 | 0.121438 | 0.013* | |
C5 | 0.5045 (2) | 0.82466 (12) | 0.17771 (7) | 0.00969 (16) | |
C6 | 0.5845 (2) | 0.72297 (11) | 0.25554 (7) | 0.01008 (17) | |
H6 | 0.472768 | 0.605062 | 0.258199 | 0.012* | |
C7 | 0.9092 (2) | 0.67213 (11) | 0.40892 (7) | 0.00943 (17) | |
C8 | 0.2606 (2) | 0.74456 (13) | 0.09293 (8) | 0.01313 (18) | |
N1 | 1.0646 (2) | 1.24888 (10) | 0.24249 (7) | 0.01242 (16) | |
O1 | 0.68411 (17) | 0.53906 (9) | 0.42044 (6) | 0.01328 (15) | |
H1 | 0.743 (5) | 0.469 (3) | 0.4618 (17) | 0.037 (5)* | |
O2 | 1.15606 (18) | 0.69465 (9) | 0.45466 (6) | 0.01391 (15) | |
O3 | 0.9986 (3) | 1.35882 (11) | 0.29446 (9) | 0.0333 (3) | |
O4 | 1.2576 (2) | 1.27866 (12) | 0.18631 (9) | 0.0296 (2) | |
F1 | 0.12540 (18) | 0.86369 (9) | 0.05423 (6) | 0.02163 (16) | |
F2 | 0.05311 (18) | 0.61547 (10) | 0.12436 (6) | 0.02413 (17) | |
F3 | 0.36346 (19) | 0.68013 (11) | 0.01315 (6) | 0.02649 (18) | |
Cl1 | 1.29187 (5) | 1.06719 (3) | 0.41157 (2) | 0.01187 (7) |