| c/Å | 31.607 (2) | 89.410 (6) |
| Unit cell volume/Å3 | 5787.8 (8) | 15438 (2) |
| Temperature/K | 298 (3) | 298 (3) |
| Space group | Pbca | R -3 c |
| Z | 8 | 6 |
| Absorption coefficient, μ/mm−1 | 1.089 | 0.445 |
| Rint | 0.0808 | 0.1195 |
| R1 a (I > 2σ(I)) | 0.0564 | 0.0999 |
| wR2 b (all data) | 0.1366 | 0.2582 |
| Goodness of fit on F 2 | 1.042 | 0.782 |
| Largest diff. peak and hole / e.Å−3 | 1.060 and -0.526 | 0.909 and -0.498 |