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Information card for entry 7714227
Preview
| Coordinates | 7714227.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [C7H16N]PbI3-298K |
|---|---|
| Formula | C7 I3 N Pb |
| Calculated formula | C7 I3 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 | 11.554 ± 0.003 Å |
| b | 17.566 ± 0.004 Å |
| c | 7.9189 ± 0.0016 Å |
| α | 90° |
| β | 101.329 ± 0.005° |
| γ | 90° |
| Cell volume | 1575.9 ± 0.6 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1205 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1003 |
| Weighted residual factors for all reflections included in the refinement | 0.1372 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| 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. |
7714227.cif |
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