| x | y | z | Uiso*/Ueq | ||
| Yb | 0.31071 (4) | 0.22186 (3) | 1.01498 (3) | 0.01504 (19) | |
| C1 | 0.3854 (12) | 0.0294 (11) | 0.7912 (9) | 0.0203 (16) | |
| C2 | 0.4409 (12) | 0.0093 (11) | 0.6438 (9) | 0.0202 (16) | |
| C3 | 0.3229 (16) | 0.0805 (15) | 0.5592 (11) | 0.033 (2) | |
| H3 | 0.2048 | 0.1355 | 0.5976 | 0.039* | |
| C4 | 0.6198 (14) | −0.0700 (13) | 0.5823 (10) | 0.030 (2) | |
| H4 | 0.7015 | −0.1163 | 0.6370 | 0.036* | |
| C5 | 0.7144 (12) | 0.4806 (10) | 0.7821 (9) | 0.0189 (16) | |
| C6 | 0.8607 (13) | 0.4930 (11) | 0.6352 (10) | 0.0211 (18) | |
| C7 | 0.8292 (13) | 0.3852 (12) | 0.5521 (10) | 0.0282 (19) | |
| H7 | 0.7149 | 0.3066 | 0.5875 | 0.034* | |
| C8 | 1.0353 (13) | 0.6070 (12) | 0.5820 (10) | 0.0275 (19) | |
| H8 | 1.0602 | 0.6780 | 0.6374 | 0.033* | |
| C9 | −0.0833 (11) | 0.4309 (10) | 1.0574 (9) | 0.0194 (16) | |
| O1 | 0.4818 (8) | −0.0459 (8) | 0.8752 (6) | 0.0228 (12) | |
| O2 | 0.2462 (9) | 0.1353 (8) | 0.8314 (6) | 0.0228 (12) | |
| O3 | 0.6140 (8) | 0.3311 (8) | 0.8501 (6) | 0.0224 (12) | |
| O4 | 0.6994 (9) | 0.6187 (8) | 0.8296 (7) | 0.0248 (13) | |
| O5 | −0.0295 (9) | 0.2697 (8) | 1.0944 (7) | 0.0246 (12) | |
| O6 | −0.2511 (8) | 0.4911 (8) | 1.1074 (7) | 0.0254 (13) | |
| O7 | 0.1351 (8) | −0.0452 (7) | 1.1590 (7) | 0.0242 (13) | |
| H7B | 0.0166 | −0.0740 | 1.1644 | 0.036* | |
| H7A | 0.1979 | −0.1429 | 1.1672 | 0.036* |