x | y | z | Uiso*/Ueq | ||
Zn1 | 0.39746 (3) | 0.27581 (3) | 0.304853 (19) | 0.01820 (9) | |
O1 | 0.16169 (19) | 0.20226 (15) | 0.34643 (12) | 0.0202 (3) | |
O2 | −0.32670 (19) | −0.16202 (17) | 0.32111 (13) | 0.0239 (4) | |
H2O | −0.3576 | −0.2526 | 0.3012 | 0.036* | |
O3 | 0.30726 (19) | 0.37780 (16) | 0.18911 (12) | 0.0204 (3) | |
O4 | 0.4981 (2) | 0.70910 (18) | 0.00903 (13) | 0.0290 (4) | |
H4O | 0.6065 | 0.7601 | 0.0013 | 0.044* | |
O5 | 0.1803 (2) | 0.1858 (2) | 0.01793 (14) | 0.0367 (4) | |
H5P | 0.2119 | 0.2596 | 0.0646 | 0.055* | |
H5O | 0.1264 | 0.1984 | −0.0383 | 0.055* | |
O6 | 0.0879 (2) | 0.29498 (19) | −0.16109 (14) | 0.0351 (4) | |
H6O | 0.0697 | 0.2177 | −0.2017 | 0.053* | |
H6P | 0.2077 | 0.3384 | −0.1471 | 0.053* | |
N1 | 0.5988 (2) | 0.2424 (2) | 0.22445 (14) | 0.0207 (4) | |
N2 | 0.3039 (2) | 0.07661 (19) | 0.24489 (14) | 0.0175 (4) | |
N3 | 0.1450 (2) | 0.00054 (19) | 0.25994 (14) | 0.0181 (4) | |
N4 | −0.1642 (2) | −0.11100 (19) | 0.29900 (15) | 0.0205 (4) | |
N5 | 0.5549 (2) | 0.2876 (2) | 0.45404 (14) | 0.0212 (4) | |
N6 | 0.5524 (2) | 0.4762 (2) | 0.34417 (14) | 0.0190 (4) | |
N7 | 0.5460 (2) | 0.55914 (19) | 0.27198 (14) | 0.0188 (4) | |
N8 | 0.5314 (3) | 0.6441 (2) | 0.09127 (15) | 0.0230 (4) | |
C1 | 0.7541 (3) | 0.3275 (3) | 0.22043 (18) | 0.0258 (5) | |
H1 | 0.7857 | 0.4185 | 0.2482 | 0.031* | |
C2 | 0.8707 (3) | 0.2868 (3) | 0.17679 (19) | 0.0306 (6) | |
H2 | 0.9811 | 0.3486 | 0.1767 | 0.037* | |
C3 | 0.8235 (3) | 0.1560 (3) | 0.13393 (18) | 0.0288 (6) | |
H3 | 0.9005 | 0.1263 | 0.1035 | 0.035* | |
C4 | 0.6620 (3) | 0.0680 (3) | 0.13569 (18) | 0.0255 (5) | |
H4 | 0.6257 | −0.0224 | 0.1055 | 0.031* | |
C5 | 0.5538 (3) | 0.1148 (2) | 0.18269 (16) | 0.0203 (5) | |
C6 | 0.3825 (3) | 0.0232 (2) | 0.19170 (16) | 0.0190 (5) | |
C7 | 0.3161 (3) | −0.1184 (3) | 0.14258 (19) | 0.0264 (5) | |
H7A | 0.3898 | −0.1670 | 0.1744 | 0.040* | |
H7B | 0.3181 | −0.1209 | 0.0722 | 0.040* | |
H7C | 0.1966 | −0.1606 | 0.1488 | 0.040* | |
C8 | 0.0873 (3) | 0.0788 (2) | 0.31405 (16) | 0.0165 (4) | |
C9 | −0.0868 (3) | 0.0123 (2) | 0.33642 (16) | 0.0174 (4) | |
C10 | −0.1580 (3) | 0.0927 (2) | 0.39855 (18) | 0.0223 (5) | |
H10A | −0.2852 | 0.0583 | 0.3795 | 0.034* | |
H10B | −0.1168 | 0.1865 | 0.3883 | 0.034* | |
H10C | −0.1187 | 0.0860 | 0.4686 | 0.034* | |
C11 | 0.5453 (3) | 0.1915 (3) | 0.51063 (18) | 0.0249 (5) | |
H11 | 0.4600 | 0.1061 | 0.4865 | 0.030* | |
C12 | 0.6559 (3) | 0.2109 (3) | 0.60431 (19) | 0.0302 (6) | |
H12 | 0.6500 | 0.1389 | 0.6417 | 0.036* | |
C13 | 0.7726 (3) | 0.3356 (3) | 0.64108 (19) | 0.0305 (6) | |
H13 | 0.8473 | 0.3514 | 0.7051 | 0.037* | |
C14 | 0.7817 (3) | 0.4389 (3) | 0.58458 (18) | 0.0270 (5) | |
H14 | 0.8602 | 0.5265 | 0.6099 | 0.032* | |
C15 | 0.6724 (3) | 0.4112 (2) | 0.48927 (17) | 0.0212 (5) | |
C16 | 0.6797 (3) | 0.5119 (2) | 0.42118 (16) | 0.0194 (5) | |
C17 | 0.8289 (3) | 0.6397 (2) | 0.44150 (18) | 0.0255 (5) | |
H17A | 0.8476 | 0.6708 | 0.3786 | 0.038* | |
H17B | 0.9338 | 0.6250 | 0.4774 | 0.038* | |
H17C | 0.8032 | 0.7074 | 0.4818 | 0.038* | |
C18 | 0.4150 (3) | 0.4947 (2) | 0.19584 (17) | 0.0183 (4) | |
C19 | 0.3910 (3) | 0.5686 (2) | 0.10840 (17) | 0.0199 (5) | |
C20 | 0.2114 (3) | 0.5440 (3) | 0.04913 (19) | 0.0290 (6) | |
H20A | 0.2124 | 0.6132 | 0.0061 | 0.043* | |
H20B | 0.1349 | 0.5468 | 0.0940 | 0.043* | |
H20C | 0.1688 | 0.4560 | 0.0083 | 0.043* |