x | y | z | Uiso*/Ueq | ||
Cl1 | 0.08070 (6) | 0.51687 (9) | 0.93474 (12) | 0.1422 (6) | |
Cl2 | 0.08744 (5) | 0.18168 (11) | 1.28987 (10) | 0.1305 (5) | |
N1 | 0.22774 (10) | 0.3780 (2) | 0.7443 (2) | 0.0595 (7) | |
N2 | 0.24356 (12) | 0.3032 (2) | 0.6633 (2) | 0.0757 (8) | |
N3 | 0.25582 (12) | 0.5043 (2) | 0.6210 (3) | 0.0815 (9) | |
C1 | 0.25951 (15) | 0.3839 (3) | 0.5932 (3) | 0.0808 (10) | |
H1 | 0.2728 | 0.3591 | 0.5270 | 0.097* | |
C2 | 0.23549 (13) | 0.4960 (3) | 0.7196 (3) | 0.0714 (9) | |
H2 | 0.2279 | 0.5634 | 0.7644 | 0.086* | |
C3 | 0.20829 (13) | 0.3285 (3) | 0.8460 (3) | 0.0638 (8) | |
H3A | 0.2230 | 0.3790 | 0.9192 | 0.077* | |
H3B | 0.2226 | 0.2449 | 0.8646 | 0.077* | |
C4 | 0.14554 (13) | 0.3253 (3) | 0.8180 (3) | 0.0666 (8) | |
H4 | 0.1313 | 0.4086 | 0.7921 | 0.080* | |
C5 | 0.13060 (12) | 0.2927 (3) | 0.9380 (3) | 0.0648 (8) | |
C6 | 0.10164 (15) | 0.3713 (3) | 0.9946 (3) | 0.0807 (10) | |
C7 | 0.08852 (16) | 0.3387 (3) | 1.1047 (4) | 0.0927 (11) | |
H7 | 0.0695 | 0.3937 | 1.1424 | 0.111* | |
C8 | 0.10441 (15) | 0.2235 (4) | 1.1558 (3) | 0.0790 (10) | |
C9 | 0.13257 (14) | 0.1450 (3) | 1.1013 (3) | 0.0787 (10) | |
H9 | 0.1435 | 0.0680 | 1.1372 | 0.094* | |
C10 | 0.14543 (13) | 0.1774 (3) | 0.9930 (3) | 0.0724 (9) | |
H10 | 0.1643 | 0.1211 | 0.9562 | 0.087* | |
C11 | 0.11930 (14) | 0.2323 (3) | 0.7113 (3) | 0.0830 (10) | |
H11A | 0.1315 | 0.2537 | 0.6389 | 0.100* | |
H11B | 0.1326 | 0.1492 | 0.7368 | 0.100* | |
C12 | 0.05814 (16) | 0.2321 (4) | 0.6773 (3) | 0.1057 (13) | |
H12A | 0.0450 | 0.3152 | 0.6514 | 0.127* | |
H12B | 0.0460 | 0.2115 | 0.7501 | 0.127* | |
C13 | 0.03234 (16) | 0.1433 (4) | 0.5764 (4) | 0.1191 (15) | |
H131 | −0.0072 | 0.1482 | 0.5589 | 0.179* | |
H132 | 0.0442 | 0.0604 | 0.6020 | 0.179* | |
H133 | 0.0434 | 0.1640 | 0.5032 | 0.179* |