| x | y | z | Uiso*/Ueq | ||
| Cu1 | 1.14506 (4) | 0.70062 (2) | 0.728016 (14) | 0.01312 (9) | |
| N1 | 0.9381 (3) | 0.64556 (17) | 0.62386 (11) | 0.0150 (3) | |
| N2 | 1.0273 (3) | 0.68298 (18) | 0.54424 (10) | 0.0159 (3) | |
| N3 | 1.7555 (3) | 0.93172 (18) | 0.27544 (11) | 0.0189 (4) | |
| N4 | 1.3792 (3) | 0.78081 (17) | 0.82931 (11) | 0.0145 (3) | |
| O1 | 0.9305 (2) | 0.61658 (15) | 0.80405 (9) | 0.0163 (3) | |
| O2 | 0.2533 (2) | 0.39329 (16) | 0.90700 (9) | 0.0199 (3) | |
| O3 | 1.3444 (2) | 0.77637 (15) | 0.64095 (9) | 0.0159 (3) | |
| O4 | 1.6632 (3) | 0.91481 (17) | 0.20033 (9) | 0.0247 (3) | |
| O5 | 1.9560 (3) | 0.9856 (2) | 0.29243 (11) | 0.0311 (4) | |
| C1 | 0.7183 (3) | 0.5521 (2) | 0.78294 (13) | 0.0139 (4) | |
| C2 | 0.5869 (3) | 0.5009 (2) | 0.85092 (13) | 0.0152 (4) | |
| H2 | 0.6540 | 0.5120 | 0.9097 | 0.018* | |
| C3 | 0.3615 (3) | 0.4346 (2) | 0.83442 (13) | 0.0149 (4) | |
| C4 | 0.2562 (3) | 0.4147 (2) | 0.74829 (13) | 0.0151 (4) | |
| H4 | 0.1016 | 0.3693 | 0.7371 | 0.018* | |
| C5 | 0.3837 (3) | 0.4630 (2) | 0.68048 (13) | 0.0146 (4) | |
| H5 | 0.3142 | 0.4495 | 0.6219 | 0.018* | |
| C6 | 0.6124 (3) | 0.5313 (2) | 0.69468 (12) | 0.0140 (4) | |
| C7 | 0.7290 (3) | 0.5785 (2) | 0.61964 (12) | 0.0149 (4) | |
| H7 | 0.6471 | 0.5592 | 0.5631 | 0.018* | |
| C8 | 0.0219 (3) | 0.3204 (3) | 0.89270 (15) | 0.0247 (5) | |
| H8A | −0.0352 | 0.2939 | 0.9492 | 0.037* | |
| H8B | −0.0038 | 0.2333 | 0.8484 | 0.037* | |
| H8C | −0.0540 | 0.3840 | 0.8707 | 0.037* | |
| C9 | 1.2393 (3) | 0.7493 (2) | 0.56222 (12) | 0.0140 (4) | |
| C10 | 1.3714 (3) | 0.79538 (19) | 0.48671 (12) | 0.0142 (4) | |
| C11 | 1.2684 (3) | 0.7902 (2) | 0.40223 (13) | 0.0162 (4) | |
| H11 | 1.1119 | 0.7555 | 0.3927 | 0.019* | |
| C12 | 1.3932 (3) | 0.8352 (2) | 0.33284 (13) | 0.0174 (4) | |
| H12 | 1.3242 | 0.8321 | 0.2755 | 0.021* | |
| C13 | 1.6204 (3) | 0.8849 (2) | 0.34864 (12) | 0.0149 (4) | |
| C14 | 1.7277 (3) | 0.8905 (2) | 0.43096 (13) | 0.0162 (4) | |
| H14 | 1.8844 | 0.9243 | 0.4396 | 0.019* | |
| C15 | 1.6016 (3) | 0.8457 (2) | 0.50049 (12) | 0.0146 (4) | |
| H15 | 1.6720 | 0.8492 | 0.5576 | 0.017* | |
| C16 | 1.3332 (3) | 0.7615 (2) | 0.91374 (13) | 0.0189 (4) | |
| H16 | 1.1851 | 0.7146 | 0.9246 | 0.023* | |
| C17 | 1.4910 (3) | 0.8068 (2) | 0.98487 (13) | 0.0219 (4) | |
| H17 | 1.4524 | 0.7913 | 1.0435 | 0.026* | |
| C18 | 1.7074 (3) | 0.8753 (2) | 0.96950 (14) | 0.0210 (4) | |
| H18 | 1.8197 | 0.9079 | 1.0175 | 0.025* | |
| C19 | 1.7569 (3) | 0.8955 (2) | 0.88305 (13) | 0.0189 (4) | |
| H19 | 1.9041 | 0.9416 | 0.8707 | 0.023* | |
| C20 | 1.5893 (3) | 0.8476 (2) | 0.81504 (13) | 0.0161 (4) | |
| H20 | 1.6239 | 0.8625 | 0.7559 | 0.019* |