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Information card for entry 7712608
Preview
| Coordinates | 7712608.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H21 Bi I9 N3 |
|---|---|
| Calculated formula | C18 H21 Bi I9 N3 |
| Title of publication | Halogen Bonds Regulating Structures and Optical Properties of Hybrid Iodobismuthate Perovskites |
| Authors of publication | Li, Ao; Wu, Mengling; Zhang, Junle; Song, Fahui; Pan, Fangfang |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 10.409 ± 0.002 Å |
| b | 13.542 ± 0.003 Å |
| c | 12.252 ± 0.002 Å |
| α | 90° |
| β | 95.906 ± 0.003° |
| γ | 90° |
| Cell volume | 1717.9 ± 0.6 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0307 |
| Residual factor for significantly intense reflections | 0.0274 |
| Weighted residual factors for significantly intense reflections | 0.0638 |
| Weighted residual factors for all reflections included in the refinement | 0.0652 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281877 (current) | 2023-03-15 | cif/ Adding structures of 7712608, 7712609 via cif-deposit CGI script. |
7712608.cif |
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