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Information card for entry 4003896
Preview
| Coordinates | 4003896.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2 H14 Br4 N4 Pb |
|---|---|
| Calculated formula | C2 H14 Br4 N4 Pb |
| Title of publication | [Methylhydrazinium]2PbBr4, a Ferroelectric Hybrid Organic‒Inorganic Perovskite with Multiple Nonlinear Optical Outputs |
| Authors of publication | Mączka, Mirosław; Zaręba, Jan K.; Gągor, Anna; Stefańska, Dagmara; Ptak, Maciej; Roleder, Krystian; Kajewski, Dariusz; Soszyński, Andrzej; Fedoruk, Katarzyna; Sieradzki, Adam |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| a | 17.8177 ± 0.001 Å |
| b | 6.0555 ± 0.0003 Å |
| c | 6.0155 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 649.04 ± 0.06 Å3 |
| Cell temperature | 300.1 ± 0.2 K |
| Ambient diffraction temperature | 300.1 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 31 |
| Hermann-Mauguin space group symbol | P m n 21 |
| Hall space group symbol | P 2ac -2 |
| Residual factor for all reflections | 0.032 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.0628 |
| Weighted residual factors for all reflections included in the refinement | 0.0644 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| 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 |
|---|---|---|---|
| 263497 (current) | 2021-04-01 | cif/ Adding structures of 4003896 via cif-deposit CGI script. |
4003896.cif |
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Users of the data should acknowledge the original authors of the
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