x | y | z | Uiso*/Ueq | Occ. (<1) | |
Cl1 | 0.65912 (3) | 0.45830 (2) | 0.73672 (9) | 0.04510 (15) | |
C1 | 0.66638 (11) | 0.61504 (9) | 0.6893 (4) | 0.0375 (3) | |
C2 | 0.63595 (10) | 0.54554 (8) | 0.6008 (3) | 0.0330 (3) | |
N1 | 0.63427 (9) | 0.66822 (7) | 0.5248 (3) | 0.0390 (3) | |
H1A | 0.644141 | 0.717242 | 0.538844 | 0.047* | 0.5 |
C3 | 0.58468 (11) | 0.56001 (10) | 0.3776 (3) | 0.0389 (4) | |
N2 | 0.58435 (9) | 0.63462 (8) | 0.3340 (3) | 0.0405 (3) | |
H2 | 0.556236 | 0.657939 | 0.202649 | 0.049* | 0.5 |
Cl2 | 0.70256 (4) | 0.250000 | 0.59928 (11) | 0.03892 (16) | |
C5 | 0.62343 (15) | 0.250000 | 0.3495 (4) | 0.0326 (4) | |
N3 | 0.52730 (9) | 0.28813 (7) | 0.0432 (3) | 0.0395 (3) | |
H3A | 0.494432 | 0.317237 | −0.061095 | 0.047* | 0.5 |
C4 | 0.58543 (12) | 0.31226 (10) | 0.2276 (3) | 0.0396 (4) | |
H3 | 0.5571 (14) | 0.5266 (11) | 0.253 (4) | 0.043 (5)* | |
H1 | 0.7031 (12) | 0.6279 (11) | 0.839 (4) | 0.040 (5)* | |
H4 | 0.5962 (12) | 0.3661 (12) | 0.261 (4) | 0.051 (6)* |