x | y | z | Uiso*/Ueq | ||
Cu1 | 0.16328 (3) | 0.00556 (3) | 0.42283 (3) | 0.03264 (14) | |
O1W | 0.3462 (2) | 0.1436 (2) | 0.3911 (2) | 0.0530 (5) | |
H1WA | 0.3993 | 0.2098 | 0.4581 | 0.064* | |
H1WB | 0.4065 | 0.1074 | 0.3640 | 0.064* | |
N1 | 0.1623 (2) | −0.1462 (2) | 0.2786 (2) | 0.0327 (4) | |
N2 | −0.0089 (2) | 0.0216 (2) | 0.2678 (2) | 0.0308 (4) | |
O1 | 0.0712 (3) | 0.4672 (2) | 0.7470 (2) | 0.0664 (7) | |
O2 | 0.1357 (2) | 0.13957 (18) | 0.54916 (17) | 0.0398 (4) | |
O3 | 0.3000 (2) | −0.0508 (2) | 0.55253 (18) | 0.0448 (5) | |
O4 | 0.4950 (2) | −0.0174 (2) | 0.73640 (19) | 0.0488 (5) | |
C1 | 0.2529 (3) | −0.2267 (3) | 0.2873 (3) | 0.0398 (6) | |
H1 | 0.3279 | −0.2160 | 0.3693 | 0.048* | |
C2 | 0.2386 (4) | −0.3274 (3) | 0.1765 (3) | 0.0464 (7) | |
H2 | 0.3035 | −0.3824 | 0.1859 | 0.056* | |
C3 | 0.1309 (3) | −0.3448 (3) | 0.0559 (3) | 0.0443 (6) | |
H3 | 0.1210 | −0.4118 | −0.0176 | 0.053* | |
C4 | 0.0332 (3) | −0.2596 (2) | 0.0429 (2) | 0.0359 (6) | |
C5 | −0.0824 (3) | −0.2675 (3) | −0.0794 (3) | 0.0459 (7) | |
H5 | −0.0983 | −0.3331 | −0.1561 | 0.055* | |
C6 | −0.1692 (3) | −0.1811 (3) | −0.0857 (3) | 0.0449 (7) | |
H6 | −0.2427 | −0.1875 | −0.1669 | 0.054* | |
C7 | −0.1500 (3) | −0.0799 (3) | 0.0307 (2) | 0.0364 (6) | |
C8 | −0.2360 (3) | 0.0125 (3) | 0.0314 (3) | 0.0445 (6) | |
H8 | −0.3119 | 0.0107 | −0.0465 | 0.053* | |
C9 | −0.2064 (3) | 0.1058 (3) | 0.1490 (3) | 0.0460 (7) | |
H9 | −0.2626 | 0.1677 | 0.1510 | 0.055* | |
C10 | −0.0924 (3) | 0.1080 (3) | 0.2656 (3) | 0.0376 (6) | |
H10 | −0.0742 | 0.1719 | 0.3442 | 0.045* | |
C11 | −0.0379 (3) | −0.0707 (2) | 0.1520 (2) | 0.0302 (5) | |
C12 | 0.0550 (3) | −0.1618 (2) | 0.1578 (2) | 0.0307 (5) | |
C13 | 0.0912 (4) | 0.3653 (3) | 0.6920 (3) | 0.0460 (7) | |
H13 | 0.0230 | 0.3205 | 0.6056 | 0.055* | |
C14 | 0.2124 (3) | 0.3076 (2) | 0.7494 (3) | 0.0353 (6) | |
C15 | 0.3105 (3) | 0.3681 (3) | 0.8826 (3) | 0.0432 (6) | |
H15 | 0.2961 | 0.4433 | 0.9314 | 0.052* | |
C16 | 0.4270 (4) | 0.3178 (3) | 0.9413 (3) | 0.0503 (7) | |
H16 | 0.4925 | 0.3591 | 1.0292 | 0.060* | |
C17 | 0.4463 (3) | 0.2053 (3) | 0.8687 (3) | 0.0413 (6) | |
H17 | 0.5252 | 0.1713 | 0.9100 | 0.050* | |
C18 | 0.3532 (3) | 0.1408 (2) | 0.7370 (2) | 0.0314 (5) | |
C19 | 0.2317 (3) | 0.1921 (2) | 0.6732 (2) | 0.0308 (5) | |
C20 | 0.3865 (3) | 0.0178 (3) | 0.6722 (2) | 0.0340 (5) | |
C21 | 0.2290 (5) | 0.4426 (5) | 0.4552 (4) | 0.0845 (12) | |
H21A | 0.2696 | 0.3733 | 0.4216 | 0.127* | |
H21B | 0.2083 | 0.4936 | 0.3956 | 0.127* | |
H21C | 0.1370 | 0.4063 | 0.4626 | 0.127* | |
C22 | 0.3128 (7) | 0.6469 (4) | 0.6359 (6) | 0.1041 (18) | |
H22A | 0.4044 | 0.6995 | 0.7088 | 0.156* | |
H22B | 0.2323 | 0.6350 | 0.6666 | 0.156* | |
H22C | 0.2869 | 0.6897 | 0.5692 | 0.156* | |
N3 | 0.3350 (3) | 0.5228 (3) | 0.5809 (2) | 0.0490 (6) | |
C23 | 0.4569 (4) | 0.4849 (4) | 0.6420 (4) | 0.0633 (9) | |
H23 | 0.5258 | 0.5400 | 0.7245 | 0.076* | |
O5 | 0.4840 (3) | 0.3805 (2) | 0.5953 (3) | 0.0700 (7) |