Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7710134
Preview
| Coordinates | 7710134.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H13 Br3 N2 Pb |
|---|---|
| Calculated formula | C6 H13 Br3 N2 Pb |
| Title of publication | A lead bromide organic-inorganic hybrid perovskite material showing reversible dual phase transition and robust SHG switching |
| Authors of publication | Han, Keke; Wei, Zhenhong; Ye, Xing; Li, Bo; Wang, Pan; Cai, Hu |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 7.8703 ± 0.0003 Å |
| b | 10.4757 ± 0.0004 Å |
| c | 15.2771 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1259.55 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0301 |
| Residual factor for significantly intense reflections | 0.0222 |
| Weighted residual factors for significantly intense reflections | 0.0497 |
| Weighted residual factors for all reflections included in the refinement | 0.0512 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274812 (current) | 2022-05-03 | cif/ Adding structures of 7710134, 7710135, 7710136 via cif-deposit CGI script. |
7710134.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.