x | y | z | Uiso*/Ueq | ||
C1 | 1.0572 (3) | 0.1738 (3) | 0.7826 (3) | 0.0250 (4) | |
H1B | 0.9796 | 0.0794 | 0.7636 | 0.030* | |
H1A | 1.1463 | 0.1485 | 0.8422 | 0.030* | |
C2 | 1.1135 (3) | 0.2435 (3) | 0.6371 (3) | 0.0262 (5) | |
H2B | 1.2008 | 0.3300 | 0.6565 | 0.031* | |
H2A | 1.1523 | 0.1675 | 0.5757 | 0.031* | |
C3 | 0.8796 (3) | 0.1769 (2) | 0.4653 (2) | 0.0226 (4) | |
H3B | 0.8488 | 0.0845 | 0.5248 | 0.027* | |
H3A | 0.9349 | 0.1504 | 0.3775 | 0.027* | |
C4 | 0.7365 (3) | 0.2401 (3) | 0.4169 (3) | 0.0264 (5) | |
H4B | 0.7672 | 0.3273 | 0.3506 | 0.032* | |
H4A | 0.6610 | 0.1614 | 0.3615 | 0.032* | |
C5 | 0.5518 (3) | 0.1652 (2) | 0.6197 (3) | 0.0227 (4) | |
H5B | 0.5989 | 0.0732 | 0.6275 | 0.027* | |
H5A | 0.4539 | 0.1403 | 0.5579 | 0.027* | |
C6 | 0.5167 (3) | 0.2183 (3) | 0.7734 (3) | 0.0246 (5) | |
H6B | 0.4571 | 0.3019 | 0.7645 | 0.030* | |
H6A | 0.4521 | 0.1338 | 0.8261 | 0.030* | |
C7 | 0.7290 (3) | 0.1527 (3) | 0.9414 (3) | 0.0272 (5) | |
H7B | 0.7284 | 0.0635 | 0.8761 | 0.033* | |
H7A | 0.6640 | 0.1198 | 1.0277 | 0.033* | |
C8 | 0.8955 (3) | 0.2202 (3) | 0.9938 (3) | 0.0289 (5) | |
H8B | 0.8945 | 0.3004 | 1.0695 | 0.035* | |
H8A | 0.9460 | 0.1405 | 1.0393 | 0.035* | |
N1 | 0.9846 (2) | 0.2852 (2) | 0.8642 (2) | 0.0224 (4) | |
H1 | 1.060 (3) | 0.356 (3) | 0.895 (3) | 0.027 (7)* | |
N2 | 0.9827 (2) | 0.2966 (2) | 0.5561 (2) | 0.0214 (4) | |
H2 | 1.023 (3) | 0.370 (3) | 0.494 (3) | 0.028 (7)* | |
N3 | 0.6625 (2) | 0.2895 (2) | 0.5510 (2) | 0.0216 (4) | |
H3 | 0.616 (3) | 0.365 (3) | 0.526 (4) | 0.036 (8)* | |
N4 | 0.6657 (2) | 0.2715 (2) | 0.8587 (2) | 0.0218 (4) | |
H4 | 0.650 (4) | 0.339 (3) | 0.924 (3) | 0.032 (8)* | |
O1 | 0.86208 (19) | 0.58802 (17) | 0.7174 (2) | 0.0254 (3) | |
O2 | 0.6912 (2) | 0.7196 (2) | 0.9423 (2) | 0.0353 (4) | |
O3 | 0.7520 (2) | 0.87043 (18) | 0.6678 (2) | 0.0310 (4) | |
O4 | 0.5312 (2) | 0.58763 (19) | 0.6764 (2) | 0.0290 (4) | |
Cu | 0.83378 (3) | 0.35012 (3) | 0.71091 (3) | 0.01771 (8) | |
Mo | 0.70937 (2) | 0.692556 (18) | 0.750742 (19) | 0.01796 (7) | |
O5 | 0.6967 (2) | 0.4797 (2) | 0.1142 (2) | 0.0292 (4) | |
H5 | 0.621 (3) | 0.452 (3) | 0.168 (3) | 0.033 (8)* | |
H6 | 0.678 (5) | 0.556 (3) | 0.069 (4) | 0.058 (12)* |