x | y | z | Uiso*/Ueq | ||
C2 | 0.6667 (3) | 0.8425 (2) | −0.08322 (15) | 0.0350 (5) | |
C3 | 0.7271 (2) | 0.9337 (2) | −0.02410 (14) | 0.0308 (4) | |
C4 | 0.6724 (2) | 1.0681 (2) | −0.04289 (13) | 0.0279 (4) | |
C5 | 0.7097 (3) | 1.1876 (2) | 0.00262 (15) | 0.0351 (5) | |
C6 | 0.6420 (3) | 1.3057 (2) | −0.02866 (17) | 0.0415 (5) | |
C7 | 0.5388 (3) | 1.3091 (2) | −0.10526 (17) | 0.0434 (6) | |
C8 | 0.5000 (3) | 1.1942 (2) | −0.15099 (15) | 0.0397 (5) | |
C9 | 0.5672 (2) | 1.0732 (2) | −0.11926 (13) | 0.0306 (4) | |
C11 | 0.8796 (3) | 0.6562 (2) | −0.13223 (14) | 0.0359 (5) | |
C12 | 0.9622 (3) | 0.5360 (2) | −0.11839 (17) | 0.0459 (6) | |
C13 | 1.1021 (3) | 0.5172 (3) | −0.15346 (19) | 0.0547 (7) | |
C14 | 1.1602 (3) | 0.6167 (3) | −0.20217 (19) | 0.0539 (7) | |
C15 | 1.0784 (3) | 0.7353 (3) | −0.21568 (17) | 0.0466 (6) | |
C16 | 0.9382 (3) | 0.7558 (2) | −0.18094 (16) | 0.0408 (5) | |
S1 | 0.53633 (8) | 0.91592 (6) | −0.16492 (4) | 0.04052 (14) | |
S10 | 0.69891 (8) | 0.66946 (6) | −0.08560 (5) | 0.04924 (16) | |
I1 | 0.88517 (2) | 0.88685 (2) | 0.08375 (2) | 0.04613 (7) | |
H5 | 0.779 (3) | 1.183 (3) | 0.0538 (17) | 0.047 (7)* | |
H6 | 0.667 (3) | 1.387 (3) | −0.0011 (18) | 0.048 (8)* | |
H7 | 0.502 (3) | 1.394 (3) | −0.1290 (19) | 0.059 (9)* | |
H8 | 0.434 (3) | 1.196 (3) | −0.2021 (17) | 0.049 (7)* | |
H12 | 0.924 (3) | 0.471 (3) | −0.0845 (17) | 0.049 (7)* | |
H13 | 1.162 (3) | 0.435 (3) | −0.1465 (19) | 0.061 (8)* | |
H14 | 1.251 (4) | 0.604 (3) | −0.229 (2) | 0.071 (10)* | |
H15 | 1.116 (3) | 0.797 (3) | −0.2450 (17) | 0.043 (7)* | |
H16 | 0.882 (3) | 0.829 (3) | −0.1901 (18) | 0.053 (8)* |