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Information card for entry 7710135
Preview
| Coordinates | 7710135.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 Br3 N2 Pb |
|---|---|
| Calculated formula | C6.0002 Br3 N2.0001 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 | 9.7659 ± 0.0016 Å |
| b | 9.7659 ± 0.0016 Å |
| c | 7.9042 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 652.85 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 194 |
| Hermann-Mauguin space group symbol | P 63/m m c |
| Hall space group symbol | -P 6c 2c |
| Residual factor for all reflections | 0.3405 |
| Residual factor for significantly intense reflections | 0.1935 |
| Weighted residual factors for significantly intense reflections | 0.3019 |
| Weighted residual factors for all reflections included in the refinement | 0.3389 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.43 |
| 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. |
7710135.cif |
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Users of the data should acknowledge the original authors of the
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