Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4003897
Preview
| Coordinates | 4003897.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2 H14 Br4 N4 Pb |
|---|---|
| Calculated formula | C2 H10 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 | 18.1597 ± 0.0012 Å |
| b | 6.0526 ± 0.0003 Å |
| c | 6.0368 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 663.53 ± 0.06 Å3 |
| Cell temperature | 380.1 ± 0.2 K |
| Ambient diffraction temperature | 380.1 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 59 |
| Hermann-Mauguin space group symbol | P m n m :2 |
| Hall space group symbol | -P 2c 2a |
| Residual factor for all reflections | 0.0448 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.1025 |
| Weighted residual factors for all reflections included in the refinement | 0.1053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.145 |
| 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 |
|---|---|---|---|
| 263498 (current) | 2021-04-01 | cif/ Adding structures of 4003897 via cif-deposit CGI script. |
4003897.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.