x | y | z | Uiso*/Ueq | ||
S | 0.68075 (8) | 0.14488 (8) | 0.16016 (6) | 0.0423 (2) | |
F1 | 0.8904 (2) | 0.0561 (2) | −0.18276 (16) | 0.0637 (5) | |
N1 | 0.6608 (3) | 0.1922 (3) | −0.07123 (19) | 0.0475 (6) | |
C1 | 0.8942 (4) | −0.3350 (4) | −0.0851 (3) | 0.0606 (9) | |
H1B | 0.9319 | −0.4285 | −0.1078 | 0.073* | |
F2 | 0.6767 (2) | −0.1812 (2) | 0.14183 (15) | 0.0616 (5) | |
N2 | 0.6037 (3) | 0.3224 (3) | −0.02139 (19) | 0.0495 (6) | |
C2 | 0.9208 (3) | −0.2061 (4) | −0.1510 (3) | 0.0531 (8) | |
H2B | 0.9784 | −0.2110 | −0.2165 | 0.064* | |
N3 | 0.5574 (3) | 0.4251 (3) | 0.1678 (2) | 0.0521 (7) | |
H3A | 0.5209 | 0.5074 | 0.1338 | 0.062* | |
H3B | 0.5620 | 0.4143 | 0.2462 | 0.062* | |
C3 | 0.8608 (3) | −0.0705 (3) | −0.1185 (2) | 0.0442 (7) | |
C4 | 0.7736 (3) | −0.0549 (3) | −0.0209 (2) | 0.0362 (6) | |
C5 | 0.7556 (3) | −0.1889 (3) | 0.0433 (3) | 0.0446 (7) | |
C6 | 0.8123 (4) | −0.3281 (3) | 0.0144 (3) | 0.0571 (8) | |
H6A | 0.7961 | −0.4149 | 0.0603 | 0.069* | |
C7 | 0.7062 (3) | 0.0912 (3) | 0.0101 (2) | 0.0357 (6) | |
C8 | 0.6070 (3) | 0.3142 (3) | 0.0986 (2) | 0.0376 (6) |