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Information card for entry 7131969
Preview
| Coordinates | 7131969.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H24 Bi0.67 I6 N4 |
|---|---|
| Calculated formula | C8 H24 Bi0.6667 I6 N4 |
| 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 | 7.0067 ± 0.0001 Å |
| b | 7.0067 ± 0.0001 Å |
| c | 48.305 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2371.48 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0534 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1378 |
| Weighted residual factors for all reflections included in the refinement | 0.1386 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7131969.cif |
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