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Information card for entry 7710861
Preview
| Coordinates | 7710861.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Br I3 Pb3 S |
|---|---|
| Calculated formula | Br I3 Pb3 S |
| Title of publication | Pb3SBrI3: The first Pb-based chalcohalide with multiple halogens features unique two-dimensional structure composed of diverse Pb-centered polyhedra |
| Authors of publication | Yan, Mei; Tang, Ru-Ling; Zhou, Wenfeng; Liu, Wen-Long; Guo, Sheng-Ping |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 8.502 ± 0.002 Å |
| b | 4.4946 ± 0.001 Å |
| c | 14.526 ± 0.003 Å |
| α | 90° |
| β | 99.675 ± 0.008° |
| γ | 90° |
| Cell volume | 547.2 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0497 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.1157 |
| Weighted residual factors for all reflections included in the refinement | 0.1208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277004 (current) | 2022-07-30 | cif/ Adding structures of 7710861 via cif-deposit CGI script. |
7710861.cif |
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