x | y | z | Uiso*/Ueq | ||
Cu1 | 0.76095 (5) | 0.56430 (10) | 0.20555 (4) | 0.0199 (2) | |
Cu2 | 0.77124 (5) | 0.49295 (10) | 0.33295 (4) | 0.0198 (2) | |
O1 | 0.6695 (3) | 0.6855 (6) | 0.3154 (2) | 0.0241 (10) | |
O2 | 0.6730 (3) | 0.7626 (6) | 0.2124 (2) | 0.0257 (11) | |
O3 | 0.6784 (3) | 1.2834 (6) | 0.2892 (2) | 0.0250 (10) | |
O4 | 0.6616 (3) | 1.3542 (6) | 0.1809 (2) | 0.0228 (10) | |
O5 | 0.8617 (3) | 0.7122 (6) | 0.3540 (2) | 0.0272 (11) | |
O6 | 0.8587 (3) | 0.7601 (6) | 0.2474 (2) | 0.0269 (11) | |
O7 | 0.8683 (3) | 1.3085 (6) | 0.3309 (2) | 0.0284 (11) | |
O8 | 0.8527 (3) | 1.3529 (6) | 0.2213 (2) | 0.0232 (10) | |
O9 | 0.5334 (3) | 0.3287 (7) | 0.4400 (2) | 0.0355 (12) | |
N1 | 0.7897 (3) | 0.4419 (7) | 0.4394 (3) | 0.0190 (12) | |
N2 | 0.6521 (4) | 0.3177 (7) | 0.5442 (3) | 0.0226 (12) | |
H2 | 0.665061 | 0.298117 | 0.588321 | 0.027* | |
N3 | 0.5065 (4) | 0.2208 (7) | 0.5341 (3) | 0.0225 (12) | |
H3 | 0.533315 | 0.195629 | 0.578293 | 0.027* | |
N4 | 0.2765 (4) | 0.1280 (7) | 0.4043 (2) | 0.0207 (12) | |
C1 | 0.6429 (4) | 0.7848 (8) | 0.2603 (3) | 0.0196 (14) | |
C2 | 0.5697 (4) | 0.9394 (8) | 0.2500 (3) | 0.0194 (14) | |
H2A | 0.579259 | 1.002925 | 0.294759 | 0.023* | |
H2B | 0.508546 | 0.874023 | 0.234080 | 0.023* | |
C3 | 0.5692 (4) | 1.0992 (9) | 0.1984 (3) | 0.0190 (14) | |
H3A | 0.576689 | 1.034695 | 0.158311 | 0.023* | |
H3B | 0.508195 | 1.165147 | 0.181940 | 0.023* | |
C4 | 0.6433 (4) | 1.2555 (8) | 0.2259 (3) | 0.0181 (14) | |
C5 | 0.8876 (4) | 0.7960 (9) | 0.3111 (3) | 0.0197 (14) | |
C6 | 0.9644 (4) | 0.9500 (8) | 0.3372 (3) | 0.0225 (15) | |
H6A | 0.961873 | 1.010462 | 0.379568 | 0.027* | |
H6B | 1.024551 | 0.881653 | 0.349782 | 0.027* | |
C7 | 0.9604 (4) | 1.1147 (9) | 0.2866 (3) | 0.0240 (15) | |
H7A | 1.021401 | 1.180573 | 0.301650 | 0.029* | |
H7B | 0.948973 | 1.054800 | 0.241052 | 0.029* | |
C8 | 0.8870 (4) | 1.2704 (9) | 0.2789 (3) | 0.0213 (15) | |
C9 | 0.8712 (5) | 0.4774 (9) | 0.4890 (3) | 0.0280 (16) | |
H9 | 0.922054 | 0.513711 | 0.476843 | 0.034* | |
C10 | 0.8834 (5) | 0.4625 (9) | 0.5578 (3) | 0.0279 (16) | |
H10 | 0.942091 | 0.487920 | 0.592295 | 0.034* | |
C11 | 0.8108 (4) | 0.4111 (9) | 0.5757 (3) | 0.0250 (15) | |
H11 | 0.818417 | 0.401257 | 0.622687 | 0.030* | |
C12 | 0.7253 (4) | 0.3733 (8) | 0.5245 (3) | 0.0213 (14) | |
C13 | 0.7181 (5) | 0.3899 (9) | 0.4566 (3) | 0.0234 (15) | |
H13 | 0.660291 | 0.363379 | 0.421060 | 0.028* | |
C14 | 0.5621 (5) | 0.2911 (9) | 0.5012 (3) | 0.0235 (15) | |
C15 | 0.2276 (5) | 0.0979 (9) | 0.4441 (4) | 0.0260 (16) | |
H15 | 0.163956 | 0.066116 | 0.423285 | 0.031* | |
C16 | 0.2677 (5) | 0.1121 (8) | 0.5150 (3) | 0.0253 (15) | |
H16 | 0.231447 | 0.093317 | 0.542417 | 0.030* | |
C17 | 0.3608 (4) | 0.1539 (9) | 0.5456 (3) | 0.0249 (15) | |
H17 | 0.389672 | 0.160856 | 0.594176 | 0.030* | |
C18 | 0.4114 (4) | 0.1852 (8) | 0.5044 (3) | 0.0188 (14) | |
C19 | 0.3656 (5) | 0.1700 (9) | 0.4340 (3) | 0.0251 (15) | |
H19 | 0.399984 | 0.190872 | 0.405368 | 0.030* |