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Information card for entry 1545805
Preview
| Coordinates | 1545805.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | histammonium tetrabromoplumbate |
|---|---|
| Formula | C5 H11 Br4 N3 Pb |
| Calculated formula | C5 H11 Br4 N3 Pb |
| Title of publication | Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites |
| Authors of publication | Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 10.5412 ± 0.0013 Å |
| b | 11.5023 ± 0.0014 Å |
| c | 11.925 ± 0.0014 Å |
| α | 90° |
| β | 109.996 ± 0.003° |
| γ | 90° |
| Cell volume | 1358.7 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0222 |
| Residual factor for significantly intense reflections | 0.0177 |
| Weighted residual factors for significantly intense reflections | 0.0394 |
| Weighted residual factors for all reflections included in the refinement | 0.0407 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195736 (current) | 2017-04-25 | cif/ Adding structures of 1545801, 1545802, 1545803, 1545804, 1545805, 1545806, 1545807, 1545808 via cif-deposit CGI script. |
1545805.cif |
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Users of the data should acknowledge the original authors of the
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