x | y | z | Uiso*/Ueq | ||
C1 | −0.2498 (2) | 0.37279 (11) | 0.04879 (10) | 0.0223 (4) | |
H1 | −0.3279 | 0.3746 | 0.0083 | 0.027* | |
C2 | −0.2406 (2) | 0.30292 (11) | 0.09373 (10) | 0.0227 (4) | |
H2 | −0.3181 | 0.2592 | 0.0863 | 0.027* | |
C3 | −0.1149 (2) | 0.29763 (11) | 0.15045 (10) | 0.0230 (4) | |
H3 | −0.1069 | 0.2501 | 0.1808 | 0.028* | |
C4 | −0.0024 (2) | 0.36315 (11) | 0.16134 (10) | 0.0231 (4) | |
H4 | 0.0864 | 0.3585 | 0.1970 | 0.028* | |
C5 | −0.0212 (2) | 0.43653 (11) | 0.11906 (10) | 0.0235 (4) | |
H5 | 0.0498 | 0.4822 | 0.1291 | 0.028* | |
C6 | −0.1430 (2) | 0.44123 (11) | 0.06332 (10) | 0.0227 (4) | |
H6 | −0.1552 | 0.4900 | 0.0349 | 0.027* | |
C7 | 0.2490 (2) | 0.14568 (10) | 0.07869 (9) | 0.0160 (3) | |
H7 | 0.3484 | 0.1741 | 0.0577 | 0.019* | |
C8 | 0.2460 (2) | 0.16860 (11) | 0.16112 (9) | 0.0211 (3) | |
H8A | 0.2381 | 0.2290 | 0.1661 | 0.025* | |
H8B | 0.1456 | 0.1442 | 0.1837 | 0.025* | |
C9 | 0.4035 (2) | 0.13820 (11) | 0.20233 (10) | 0.0238 (4) | |
H9A | 0.5032 | 0.1664 | 0.1828 | 0.029* | |
H9B | 0.3958 | 0.1518 | 0.2556 | 0.029* | |
C10 | 0.4238 (2) | 0.04591 (11) | 0.19335 (11) | 0.0276 (4) | |
H10A | 0.5280 | 0.0278 | 0.2193 | 0.033* | |
H10B | 0.3280 | 0.0174 | 0.2160 | 0.033* | |
C11 | 0.4316 (2) | 0.02332 (11) | 0.11175 (11) | 0.0260 (4) | |
H11A | 0.4399 | −0.0370 | 0.1070 | 0.031* | |
H11B | 0.5337 | 0.0476 | 0.0905 | 0.031* | |
C12 | 0.2773 (2) | 0.05349 (10) | 0.06779 (10) | 0.0205 (3) | |
H12A | 0.1771 | 0.0231 | 0.0840 | 0.025* | |
H12B | 0.2924 | 0.0421 | 0.0145 | 0.025* | |
C13 | 0.0709 (2) | 0.13975 (10) | −0.06377 (9) | 0.0161 (3) | |
H13 | 0.0799 | 0.0791 | −0.0565 | 0.019* | |
C14 | −0.0879 (2) | 0.15535 (10) | −0.11130 (10) | 0.0200 (3) | |
H14A | −0.1863 | 0.1318 | −0.0865 | 0.024* | |
H14B | −0.1060 | 0.2152 | −0.1166 | 0.024* | |
C15 | −0.0711 (2) | 0.11651 (12) | −0.18795 (10) | 0.0270 (4) | |
H15A | −0.0682 | 0.0561 | −0.1828 | 0.032* | |
H15B | −0.1705 | 0.1310 | −0.2190 | 0.032* | |
C16 | 0.0864 (3) | 0.14489 (13) | −0.22631 (10) | 0.0305 (4) | |
H16A | 0.0799 | 0.2047 | −0.2356 | 0.037* | |
H16B | 0.0953 | 0.1167 | −0.2746 | 0.037* | |
C17 | 0.2405 (2) | 0.12592 (12) | −0.17829 (10) | 0.0246 (4) | |
H17A | 0.3422 | 0.1453 | −0.2035 | 0.030* | |
H17B | 0.2503 | 0.0658 | −0.1715 | 0.030* | |
C18 | 0.2299 (2) | 0.16729 (10) | −0.10279 (9) | 0.0193 (3) | |
H18A | 0.2282 | 0.2276 | −0.1092 | 0.023* | |
H18B | 0.3298 | 0.1528 | −0.0720 | 0.023* | |
C19 | 0.4349 (2) | 0.38768 (11) | 0.85956 (10) | 0.0222 (4) | |
H19 | 0.3475 | 0.3760 | 0.8970 | 0.027* | |
Cl1 | 0.01613 (5) | 0.35589 (2) | −0.08323 (2) | 0.01901 (8) | |
Cl2 | 0.30706 (5) | 0.34441 (2) | 0.04619 (2) | 0.02103 (9) | |
Cl3 | −0.12314 (5) | 0.11221 (2) | 0.07235 (2) | 0.02052 (8) | |
Cl4 | 0.54297 (6) | 0.47752 (3) | 0.88609 (3) | 0.03089 (10) | |
Cl5 | 0.57325 (6) | 0.30361 (3) | 0.85639 (3) | 0.03164 (11) | |
Cl6 | 0.33498 (7) | 0.40171 (4) | 0.77265 (3) | 0.03799 (12) | |
P1 | 0.06247 (5) | 0.18613 (2) | 0.02855 (2) | 0.01377 (8) | |
Ru1 | 0.007356 (16) | 0.324634 (7) | 0.046687 (7) | 0.01356 (4) |