x | y | z | Uiso*/Ueq | ||
Hg1 | 1.0000 | 0.703186 (17) | 0.2500 | 0.04539 (7) | |
Cl1 | 1.14323 (5) | 0.55933 (9) | 0.34397 (8) | 0.0591 (2) | |
S1 | 1.02994 (5) | 0.83371 (9) | 0.43697 (7) | 0.04983 (18) | |
N1 | 0.91286 (18) | 0.7622 (3) | 0.4747 (3) | 0.0482 (6) | |
N2 | 0.84430 (16) | 0.8798 (3) | 0.2830 (2) | 0.0488 (6) | |
C1 | 0.92029 (18) | 0.8240 (3) | 0.3933 (3) | 0.0367 (5) | |
C2 | 0.8466 (3) | 0.8103 (4) | 0.4900 (4) | 0.0704 (10) | |
H2A | 0.8192 | 0.8971 | 0.4446 | 0.106* | |
H2B | 0.8793 | 0.8232 | 0.5812 | 0.106* | |
H2C | 0.7977 | 0.7421 | 0.4542 | 0.106* | |
C3 | 0.9842 (3) | 0.6647 (4) | 0.5756 (4) | 0.0769 (11) | |
H3A | 1.0131 | 0.6182 | 0.5468 | 0.115* | |
H3B | 0.9549 | 0.5970 | 0.5914 | 0.115* | |
H3C | 1.0313 | 0.7149 | 0.6548 | 0.115* | |
C4 | 0.7491 (2) | 0.8240 (5) | 0.2114 (4) | 0.0802 (12) | |
H4A | 0.7531 | 0.7329 | 0.2441 | 0.120* | |
H4B | 0.7174 | 0.8179 | 0.1200 | 0.120* | |
H4C | 0.7144 | 0.8847 | 0.2231 | 0.120* | |
C5 | 0.8518 (3) | 0.9798 (4) | 0.2094 (4) | 0.0774 (11) | |
H5A | 0.9121 | 1.0250 | 0.2669 | 0.116* | |
H5B | 0.8027 | 1.0483 | 0.1711 | 0.116* | |
H5C | 0.8454 | 0.9323 | 0.1414 | 0.116* |