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Information card for entry 1545802
Preview
| Coordinates | 1545802.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,4-butanediammonium tetrabromoplumbate |
|---|---|
| Formula | C4 H14 Br4 N2 Pb |
| Calculated formula | C4 H14 Br4 N2 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 | 8.0135 ± 0.0004 Å |
| b | 8.427 ± 0.0004 Å |
| c | 10.7367 ± 0.0005 Å |
| α | 78.957 ± 0.002° |
| β | 69.565 ± 0.002° |
| γ | 89.542 ± 0.001° |
| Cell volume | 665.47 ± 0.06 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0638 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0712 |
| Weighted residual factors for all reflections included in the refinement | 0.079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| 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. |
1545802.cif |
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Users of the data should acknowledge the original authors of the
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