| x | y | z | Uiso*/Ueq | ||
| O1 | −0.02731 (16) | 0.77067 (6) | −0.0480 (2) | 0.0538 (4) | |
| O2 | 0.10460 (14) | 0.72562 (4) | 0.25649 (18) | 0.0385 (3) | |
| O3 | 0.27691 (18) | 0.70878 (5) | 0.5536 (2) | 0.0548 (4) | |
| O4 | 0.19733 (14) | 0.94889 (5) | 0.93375 (19) | 0.0417 (3) | |
| O5 | 0.26952 (18) | 1.03085 (5) | 0.7069 (2) | 0.0539 (4) | |
| N1 | 0.15491 (17) | 0.82887 (6) | 0.1795 (2) | 0.0344 (3) | |
| C1 | 0.06782 (19) | 0.77729 (7) | 0.1092 (3) | 0.0355 (3) | |
| C2 | 0.22322 (19) | 0.74470 (6) | 0.4126 (3) | 0.0340 (3) | |
| C3 | 0.26475 (17) | 0.81536 (6) | 0.3704 (2) | 0.0283 (3) | |
| C4 | 0.23203 (19) | 0.85660 (6) | 0.5828 (3) | 0.0318 (3) | |
| C5 | 0.2829 (3) | 0.92684 (7) | 0.5461 (3) | 0.0425 (4) | |
| C6 | 0.24451 (18) | 0.96852 (6) | 0.7513 (3) | 0.0336 (3) | |
| C7 | 0.2257 (3) | 1.07707 (7) | 0.8886 (4) | 0.0504 (5) | |
| C8 | 0.3640 (3) | 1.08564 (9) | 1.0556 (4) | 0.0575 (5) | |
| H1 | 0.156 (3) | 0.8596 (10) | 0.108 (4) | 0.0517* | |
| H3 | 0.3827 | 0.8197 | 0.3231 | 0.0339* | |
| H4A | 0.1132 | 0.8547 | 0.6210 | 0.0381* | |
| H4B | 0.2950 | 0.8389 | 0.7108 | 0.0381* | |
| H5A | 0.4027 | 0.9288 | 0.5139 | 0.0509* | |
| H5B | 0.2234 | 0.9439 | 0.4140 | 0.0509* | |
| H7A | 0.1261 | 1.0617 | 0.9682 | 0.0604* | |
| H7B | 0.1990 | 1.1188 | 0.8204 | 0.0604* | |
| H8A | 0.4623 | 1.1017 | 0.9782 | 0.0689* | |
| H8B | 0.3895 | 1.0446 | 1.1259 | 0.0689* | |
| H8C | 0.3301 | 1.1161 | 1.1711 | 0.0689* |