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Information card for entry 4003470
Preview
| Coordinates | 4003470.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C H7 Br3 N2 Pb |
|---|---|
| Calculated formula | C H7 Br3 N2 Pb |
| Title of publication | Methylhydrazinium Lead Bromide: Noncentrosymmetric Three-Dimensional Perovskite with Exceptionally Large Framework Distortion and Green Photoluminescence |
| Authors of publication | Ma̧czka, Mirosl̷aw; Ptak, Maciej; Ga̧gor, Anna; Stefańska, Dagmara; Zarȩba, Jan K.; Sieradzki, Adam |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2020 |
| a | 5.9701 ± 0.0001 Å |
| b | 11.8291 ± 0.0002 Å |
| c | 11.8582 ± 0.0002 Å |
| α | 90° |
| β | 92.361 ± 0.002° |
| γ | 90° |
| Cell volume | 836.73 ± 0.02 Å3 |
| Cell temperature | 293.52 ± 0.1 K |
| Ambient diffraction temperature | 293.52 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0185 |
| Residual factor for significantly intense reflections | 0.0176 |
| Weighted residual factors for significantly intense reflections | 0.0399 |
| Weighted residual factors for all reflections included in the refinement | 0.0401 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247898 (current) | 2020-02-06 | cif/ Adding structures of 4003470 via cif-deposit CGI script. |
4003470.cif |
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Users of the data should acknowledge the original authors of the
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