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Information card for entry 7240186
Preview
| Coordinates | 7240186.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4.5 H9.5 Fe N0.75 O6.25 |
|---|---|
| Calculated formula | C4.5 H3.5001 Fe N0.75 O6.25005 |
| Title of publication | Static disorder in a perovskite mixed-valence metal‒organic framework |
| Authors of publication | Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 12.0016 ± 0.0007 Å |
| b | 12.0016 ± 0.0007 Å |
| c | 12.0016 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1728.69 ± 0.17 Å3 |
| Cell temperature | 140 ± 0.3 K |
| Ambient diffraction temperature | 140 ± 0.3 K |
| Number of distinct elements | 5 |
| Space group number | 204 |
| Hermann-Mauguin space group symbol | I m -3 |
| Hall space group symbol | -I 2 2 3 |
| Residual factor for all reflections | 0.0422 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.086 |
| Weighted residual factors for all reflections included in the refinement | 0.0893 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.183 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249690 (current) | 2020-03-25 | cif/ Adding structures of 7240176, 7240177, 7240178, 7240179, 7240180, 7240181, 7240182, 7240183, 7240184, 7240185, 7240186 via cif-deposit CGI script. |
7240186.cif |
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Users of the data should acknowledge the original authors of the
structural data.