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Information card for entry 7710136
Preview
| Coordinates | 7710136.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 Br7 N4 Pb2 |
|---|---|
| Calculated formula | C12 Br7 N4 Pb2 |
| 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 | 10.1747 ± 0.0009 Å |
| b | 15.8777 ± 0.0017 Å |
| c | 7.947 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1283.8 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 57 |
| Hermann-Mauguin space group symbol | P b c m |
| Hall space group symbol | -P 2c 2b |
| Residual factor for all reflections | 0.1625 |
| Residual factor for significantly intense reflections | 0.1243 |
| Weighted residual factors for significantly intense reflections | 0.3871 |
| Weighted residual factors for all reflections included in the refinement | 0.428 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.598 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274812 (current) | 2022-05-03 | cif/ Adding structures of 7710134, 7710135, 7710136 via cif-deposit CGI script. |
7710136.cif |
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Users of the data should acknowledge the original authors of the
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