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Information card for entry 7714228
Preview
| Coordinates | 7714228.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [C7H16N]PbBr2-233K |
|---|---|
| Formula | C7 Br3 N Pb |
| Calculated formula | C7 Br3 N Pb |
| Title of publication | The halogen substitution strategy of inorganic skeletons triggers dielectric and band gap regulation of hybrid perovskites |
| Authors of publication | Sun, Xiao-Tong; Zhang, Ying-Yu; Han, Yan; Wang, Xiao-Ping; Li, Jie; Li, Jun-Yi; Ni, Hao-Fei; Fu, Da-Wei; Zhang, Zhi-Xu |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 17.0361 ± 0.0008 Å |
| b | 7.6699 ± 0.0003 Å |
| c | 21.3038 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2783.7 ± 0.2 Å3 |
| Cell temperature | 298.23 ± 0.1 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1511 |
| Residual factor for significantly intense reflections | 0.0805 |
| Weighted residual factors for significantly intense reflections | 0.1858 |
| Weighted residual factors for all reflections included in the refinement | 0.224 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286966 (current) | 2023-10-14 | cif/ Adding structures of 7714225, 7714226, 7714227, 7714228 via cif-deposit CGI script. |
7714228.cif |
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