| x | y | z | Uiso*/Ueq | ||
| F1 | 0.9642 (3) | 0.0074 (3) | 0.67642 (15) | 0.0322 | |
| C2 | 0.8064 (5) | 0.1203 (4) | 0.7000 (2) | 0.0241 | |
| C3 | 0.8368 (5) | 0.2957 (4) | 0.6533 (2) | 0.0197 | |
| O4 | 0.8221 (3) | 0.2665 (3) | 0.55221 (14) | 0.0197 | |
| C5 | 0.8651 (5) | 0.4205 (4) | 0.4981 (2) | 0.0199 | |
| O6 | 1.0586 (3) | 0.4776 (3) | 0.51563 (17) | 0.0249 | |
| C7 | 0.7217 (5) | 0.5681 (4) | 0.5230 (2) | 0.0193 | |
| O8 | 0.7765 (3) | 0.7197 (3) | 0.46922 (16) | 0.0253 | |
| C9 | 0.7242 (5) | 0.6033 (4) | 0.6292 (2) | 0.0196 | |
| C10 | 0.6857 (5) | 0.4332 (4) | 0.6843 (2) | 0.0207 | |
| O11 | 0.4899 (3) | 0.3738 (3) | 0.66532 (15) | 0.0234 | |
| O12 | 0.5874 (3) | 0.7379 (3) | 0.65554 (15) | 0.0225 | |
| H21 | 0.6889 | 0.0662 | 0.6738 | 0.0302* | |
| H22 | 0.7979 | 0.1319 | 0.7701 | 0.0295* | |
| H31 | 0.9723 | 0.3377 | 0.6670 | 0.0229* | |
| H51 | 0.8463 | 0.3902 | 0.4278 | 0.0240* | |
| H71 | 0.5858 | 0.5333 | 0.5064 | 0.0246* | |
| H91 | 0.8539 | 0.6454 | 0.6460 | 0.0234* | |
| H101 | 0.7044 | 0.4557 | 0.7541 | 0.0250* | |
| H121 | 0.4980 | 0.7488 | 0.6170 | 0.0346* | |
| H111 | 0.4489 | 0.3361 | 0.7175 | 0.0347* | |
| H61 | 1.1320 | 0.3983 | 0.4931 | 0.0374* | |
| H81 | 0.7170 | 0.8119 | 0.4811 | 0.0389* |