| x | y | z | Uiso*/Ueq | ||
| Cu1 | 0.289268 (13) | 0.075081 (13) | 0.86862 (8) | 0.04372 (16) | |
| N1 | 0.29272 (9) | 0.02219 (8) | 0.9019 (5) | 0.0390 (9) | |
| N2 | 0.23481 (8) | 0.06306 (8) | 0.8887 (6) | 0.0387 (8) | |
| O1 | 0.27971 (8) | 0.12241 (8) | 0.7744 (4) | 0.0525 (9) | |
| O2 | 0.29910 (9) | 0.15568 (9) | 1.0158 (5) | 0.0675 (10) | |
| O3 | 0.34227 (7) | 0.07939 (8) | 0.8118 (4) | 0.0501 (9) | |
| O4 | 0.32544 (8) | 0.06623 (8) | 0.5189 (4) | 0.0576 (9) | |
| C1 | 0.29069 (11) | 0.15122 (12) | 0.8432 (8) | 0.0412 (11) | |
| C2 | 0.29381 (12) | 0.18240 (12) | 0.7136 (7) | 0.0402 (11) | |
| C3 | 0.29679 (13) | 0.17730 (13) | 0.5216 (8) | 0.0530 (14) | |
| H3 | 0.2958 | 0.1545 | 0.4718 | 0.064* | |
| C4 | 0.30136 (13) | 0.20622 (14) | 0.4007 (8) | 0.0681 (16) | |
| H4 | 0.3040 | 0.2025 | 0.2709 | 0.082* | |
| C5 | 0.30205 (16) | 0.23955 (16) | 0.4693 (9) | 0.0833 (19) | |
| H5 | 0.3049 | 0.2588 | 0.3877 | 0.100* | |
| C6 | 0.29856 (18) | 0.24474 (14) | 0.6595 (10) | 0.103 (2) | |
| H6 | 0.2990 | 0.2677 | 0.7077 | 0.123* | |
| C7 | 0.29437 (15) | 0.21623 (14) | 0.7835 (7) | 0.0730 (16) | |
| H7 | 0.2920 | 0.2202 | 0.9133 | 0.088* | |
| C8 | 0.34916 (11) | 0.07366 (10) | 0.6394 (8) | 0.0440 (11) | |
| C9 | 0.38971 (12) | 0.07565 (11) | 0.5812 (7) | 0.0466 (12) | |
| C10 | 0.40021 (16) | 0.06443 (13) | 0.4021 (9) | 0.0782 (16) | |
| H10 | 0.3829 | 0.0554 | 0.3168 | 0.094* | |
| C11 | 0.4386 (2) | 0.06724 (17) | 0.3528 (11) | 0.101 (2) | |
| H11 | 0.4467 | 0.0596 | 0.2342 | 0.121* | |
| C12 | 0.46305 (19) | 0.08087 (18) | 0.4772 (11) | 0.099 (2) | |
| H12 | 0.4878 | 0.0829 | 0.4420 | 0.119* | |
| C13 | 0.45266 (15) | 0.09165 (15) | 0.6505 (12) | 0.088 (2) | |
| H13 | 0.4701 | 0.1007 | 0.7350 | 0.105* | |
| C14 | 0.41569 (13) | 0.08922 (12) | 0.7028 (8) | 0.0634 (15) | |
| H14 | 0.4084 | 0.0969 | 0.8226 | 0.076* | |
| C15 | 0.32335 (11) | 0.00233 (12) | 0.9057 (7) | 0.0493 (12) | |
| H15 | 0.3460 | 0.0142 | 0.9024 | 0.059* | |
| C16 | 0.32444 (13) | −0.03421 (12) | 0.9142 (6) | 0.0503 (13) | |
| C17 | 0.29028 (15) | −0.05082 (12) | 0.9140 (7) | 0.0554 (14) | |
| H17 | 0.2891 | −0.0755 | 0.9163 | 0.066* | |
| C18 | 0.25819 (12) | −0.03145 (11) | 0.9103 (6) | 0.0463 (12) | |
| H18 | 0.2354 | −0.0430 | 0.9119 | 0.056* | |
| C19 | 0.25954 (11) | 0.00489 (11) | 0.9043 (6) | 0.0380 (10) | |
| C20 | 0.22719 (11) | 0.02858 (10) | 0.9028 (6) | 0.0382 (10) | |
| C21 | 0.19083 (12) | 0.01653 (12) | 0.9156 (6) | 0.0478 (12) | |
| H21 | 0.1858 | −0.0076 | 0.9220 | 0.057* | |
| C22 | 0.16258 (12) | 0.04087 (12) | 0.9184 (6) | 0.0507 (13) | |
| H22 | 0.1382 | 0.0330 | 0.9271 | 0.061* | |
| C23 | 0.16969 (12) | 0.07650 (13) | 0.9088 (7) | 0.0504 (13) | |
| C24 | 0.20738 (12) | 0.08629 (10) | 0.8924 (7) | 0.0476 (11) | |
| H24 | 0.2132 | 0.1103 | 0.8837 | 0.057* | |
| C25 | 0.13916 (12) | 0.10390 (12) | 0.9142 (8) | 0.0735 (16) | |
| H25A | 0.1293 | 0.1071 | 0.7888 | 0.110* | |
| H25B | 0.1490 | 0.1260 | 0.9594 | 0.110* | |
| H25C | 0.1198 | 0.0960 | 0.9980 | 0.110* | |
| C26 | 0.35995 (13) | −0.05492 (13) | 0.9193 (8) | 0.0753 (17) | |
| H26A | 0.3771 | −0.0450 | 0.8296 | 0.113* | |
| H26B | 0.3550 | −0.0792 | 0.8869 | 0.113* | |
| H26C | 0.3704 | −0.0538 | 1.0445 | 0.113* | |
| O1W | 0.29338 (8) | 0.09216 (8) | 1.1806 (4) | 0.0668 (9) | |
| H1WA | 0.3103 | 0.0852 | 1.2558 | 0.080* | |
| H1WB | 0.2988 | 0.1131 | 1.1452 | 0.080* |