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Information card for entry 1567090
Preview
| Coordinates | 1567090.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H6 Ga O5 |
|---|---|
| Calculated formula | C12 H6 Ga O5 |
| Title of publication | How to get maximum structure information from anisotropic displacement parameters obtained by three-dimensional electron diffraction: an experimental study on metal–organic frameworks |
| Authors of publication | Samperisi, Laura; Zou, Xiaodong; Huang, Zhehao |
| Journal of publication | IUCrJ |
| Year of publication | 2022 |
| Journal volume | 9 |
| Journal issue | 4 |
| a | 21.57 ± 0.003 Å |
| b | 21.57 ± 0.003 Å |
| c | 6.7 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3117.3 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 137 |
| Hermann-Mauguin space group symbol | P 42/n m c :2 |
| Hall space group symbol | -P 4ac 2a |
| Residual factor for all reflections | 0.2065 |
| Residual factor for significantly intense reflections | 0.188 |
| Weighted residual factors for significantly intense reflections | 0.4609 |
| Weighted residual factors for all reflections included in the refinement | 0.4714 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.71 |
| Diffraction radiation wavelength | 0.0251 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275938 (current) | 2022-06-09 | cif/ Adding structures of 1567090 via cif-deposit CGI script. |
1567090.cif |
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Users of the data should acknowledge the original authors of the
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