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Information card for entry 7131970
Preview
| Coordinates | 7131970.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 Bi1.33 I12 N8 |
|---|---|
| Calculated formula | C16 Bi1.3332 I12 N8 |
| Title of publication | A chiral two-dimensional perovskite-like lead-free bismuth(III) iodide hybrid with high phase transition temperature. |
| Authors of publication | Peng, Hang; Liu, Qin; Lu, Yan-Zi; Yang, Shu-Jing; Qi, Jun-Chao; Chen, Xiao-Gang; Liao, Wei-Qiang |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2023 |
| a | 7.135 ± 0.0005 Å |
| b | 7.135 ± 0.0005 Å |
| c | 24.284 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1236.3 ± 0.2 Å3 |
| Cell temperature | 420 ± 2 K |
| Ambient diffraction temperature | 420 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 97 |
| Hermann-Mauguin space group symbol | I 4 2 2 |
| Hall space group symbol | I 4 2 |
| Residual factor for all reflections | 0.1272 |
| Residual factor for significantly intense reflections | 0.0962 |
| Weighted residual factors for significantly intense reflections | 0.2061 |
| Weighted residual factors for all reflections included in the refinement | 0.2234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285451 (current) | 2023-08-05 | cif/ Adding structures of 7131969, 7131970 via cif-deposit CGI script. |
7131970.cif |
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Users of the data should acknowledge the original authors of the
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