| x | y | z | Uiso*/Ueq | ||
| C1 | 0.6938 (3) | 0.9764 (3) | −0.04988 (19) | 0.0407 (6) | |
| H1 | 0.6652 | 1.0617 | −0.0662 | 0.049* | |
| Cu1 | 0.87241 (3) | 1.09675 (2) | 0.11815 (4) | 0.03062 (9) | |
| N1 | 0.9474 (2) | 0.9310 (2) | 0.18929 (17) | 0.0352 (5) | |
| O1 | 1.0814 (2) | 1.12990 (18) | 0.02682 (14) | 0.0377 (4) | |
| C2 | 0.6422 (3) | 0.8724 (3) | −0.1095 (2) | 0.0486 (7) | |
| H2 | 0.5818 | 0.8883 | −0.1643 | 0.058* | |
| N2 | 0.7802 (2) | 0.9598 (2) | 0.02762 (16) | 0.0325 (4) | |
| O2 | 0.98329 (19) | 1.21773 (18) | 0.20589 (13) | 0.0377 (4) | |
| C3 | 0.6829 (3) | 0.7475 (3) | −0.0849 (2) | 0.0472 (7) | |
| H3 | 0.6506 | 0.6770 | −0.1237 | 0.057* | |
| O3 | 1.1635 (2) | 1.36277 (17) | 0.21108 (14) | 0.0358 (4) | |
| C4 | 0.7727 (3) | 0.7242 (2) | −0.0022 (2) | 0.0386 (6) | |
| O4 | 1.2795 (2) | 1.25638 (18) | 0.04136 (14) | 0.0376 (4) | |
| C5 | 0.8190 (3) | 0.8351 (2) | 0.05270 (19) | 0.0321 (5) | |
| C6 | 0.9086 (2) | 0.8194 (2) | 0.13957 (17) | 0.0307 (6) | |
| C7 | 0.9518 (3) | 0.6918 (3) | 0.1703 (2) | 0.0404 (6) | |
| C8 | 0.9027 (3) | 0.5816 (2) | 0.1130 (4) | 0.0500 (7) | |
| H8 | 0.9293 | 0.4971 | 0.1330 | 0.060* | |
| C9 | 0.8186 (4) | 0.5967 (2) | 0.0306 (3) | 0.0485 (7) | |
| H9 | 0.7899 | 0.5226 | −0.0055 | 0.058* | |
| C10 | 1.0386 (3) | 0.6850 (3) | 0.2567 (2) | 0.0498 (7) | |
| H10 | 1.0723 | 0.6038 | 0.2794 | 0.060* | |
| C11 | 1.0740 (4) | 0.7970 (3) | 0.3077 (3) | 0.0555 (8) | |
| H11 | 1.1295 | 0.7922 | 0.3660 | 0.067* | |
| C12 | 1.0266 (3) | 0.9184 (3) | 0.2720 (2) | 0.0471 (7) | |
| H12 | 1.0515 | 0.9940 | 0.3076 | 0.056* | |
| C13 | 1.1578 (3) | 1.2130 (2) | 0.07154 (19) | 0.0303 (5) | |
| C14 | 1.0979 (3) | 1.2700 (2) | 0.17167 (19) | 0.0288 (5) |