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Information card for entry 4003059
Preview
| Coordinates | 4003059.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17.12 H8 Br Hf1.5 O8 |
|---|---|
| Calculated formula | C17.125 H8 Br Hf1.5 O8 |
| Title of publication | Exploring the Role of Hexanuclear Clusters as Lewis Acidic Sites in Isostructural Metal‒Organic Frameworks |
| Authors of publication | Lyu, Jiafei; Zhang, Xuan; Li, Peng; Wang, Xingjie; Buru, Cassandra T.; Bai, Peng; Guo, Xianghai; Farha, Omar K. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2019 |
| Journal volume | 31 |
| Journal issue | 11 |
| Pages of publication | 4166 |
| a | 39.768 ± 0.004 Å |
| b | 39.768 ± 0.004 Å |
| c | 11.9155 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 16320 ± 3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 191 |
| Hermann-Mauguin space group symbol | P 6/m m m |
| Hall space group symbol | -P 6 2 |
| Residual factor for all reflections | 0.0349 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0838 |
| Weighted residual factors for all reflections included in the refinement | 0.0864 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220478 (current) | 2019-10-29 | cif/ Adding structures of 4003059 via cif-deposit CGI script. |
4003059.cif |
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Users of the data should acknowledge the original authors of the
structural data.