x | y | z | Uiso*/Ueq | ||
Cl1 | 0.97047 (9) | 0.63719 (19) | 0.09885 (6) | 0.1159 (5) | |
S1 | 0.67445 (5) | 0.02579 (10) | 0.26455 (3) | 0.0538 (2) | |
O1 | 0.57744 (18) | −0.0412 (3) | 0.21563 (11) | 0.0788 (8) | |
O2 | 0.75531 (17) | −0.1301 (3) | 0.29647 (11) | 0.0710 (7) | |
N1 | 0.61305 (18) | 0.1518 (3) | 0.32146 (11) | 0.0527 (7) | |
C1 | 0.7127 (2) | 0.3981 (4) | 0.19816 (13) | 0.0581 (9) | |
C2 | 0.7777 (3) | 0.5312 (4) | 0.16141 (14) | 0.0650 (9) | |
C3 | 0.8901 (3) | 0.4698 (5) | 0.14686 (14) | 0.0654 (10) | |
C4 | 0.9396 (2) | 0.2788 (5) | 0.16961 (16) | 0.0733 (11) | |
C5 | 0.8750 (2) | 0.1454 (4) | 0.20712 (14) | 0.0606 (9) | |
C6 | 0.7611 (2) | 0.2037 (4) | 0.22098 (12) | 0.0465 (7) | |
C7 | 0.6789 (2) | 0.2145 (4) | 0.38711 (12) | 0.0541 (8) | |
C8 | 0.7329 (3) | 0.4325 (5) | 0.38666 (16) | 0.0829 (11) | |
C9 | 0.7924 (4) | 0.4979 (7) | 0.45609 (18) | 0.1069 (17) | |
C10 | 0.7084 (4) | 0.4802 (9) | 0.5084 (2) | 0.117 (2) | |
C11 | 0.6528 (5) | 0.2674 (10) | 0.50951 (18) | 0.135 (2) | |
C12 | 0.5920 (4) | 0.1970 (7) | 0.44002 (17) | 0.1033 (16) | |
H1 | 0.63600 | 0.43810 | 0.20780 | 0.0700* | |
H1N | 0.555 (3) | 0.234 (6) | 0.3060 (19) | 0.1390* | |
H2 | 0.74580 | 0.66260 | 0.14640 | 0.0780* | |
H4 | 1.01630 | 0.23970 | 0.15970 | 0.0880* | |
H5 | 0.90830 | 0.01600 | 0.22310 | 0.0730* | |
H7 | 0.74450 | 0.11150 | 0.39850 | 0.0650* | |
H8A | 0.67010 | 0.53500 | 0.37150 | 0.0990* | |
H8B | 0.79270 | 0.43550 | 0.35470 | 0.0990* | |
H9A | 0.86230 | 0.40740 | 0.46850 | 0.1280* | |
H9B | 0.82060 | 0.64450 | 0.45420 | 0.1280* | |
H10A | 0.75200 | 0.51000 | 0.55240 | 0.1410* | |
H10B | 0.64520 | 0.58700 | 0.49970 | 0.1410* | |
H11A | 0.59300 | 0.26840 | 0.54140 | 0.1620* | |
H11B | 0.71460 | 0.16380 | 0.52540 | 0.1620* | |
H12A | 0.56470 | 0.05020 | 0.44260 | 0.1240* | |
H12B | 0.52180 | 0.28630 | 0.42710 | 0.1240* |