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Information card for entry 2021923
Preview
| Coordinates | 2021923.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 1, 2 diammonium penta-chloro bismuthate [(NH3)2(CH2)3]BiCl5 |
|---|---|
| Formula | C3 H12 Bi Cl5 N2 |
| Calculated formula | C3 H12 Bi Cl5 N2 |
| Title of publication | Crystal structure, vibrational spectroscopy and optical properties of a one-dimensional organic–inorganic hybrid perovskite of [NH3CH2CH(NH3)CH2]BiCl5 |
| Authors of publication | Abdel-Aal, Seham K.; Abdel-Rahman, Ahmed S.; Gamal, Wafia M.; Abdel-Kader, Mohamed; Ayoub, Hany S.; El-Sherif, Ashraf F.; Kandeel, M. F.; Bozhko, S.; Yakimov, E. E.; Yakimov, E. B. |
| Journal of publication | Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 5 |
| Pages of publication | 880 |
| a | 19.8403 ± 0.0007 Å |
| b | 6.3303 ± 0.0002 Å |
| c | 19.0314 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2390.25 ± 0.14 Å3 |
| Cell temperature | 243 ± 2 K |
| Ambient diffraction temperature | 243 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0315 |
| Residual factor for significantly intense reflections | 0.0226 |
| Weighted residual factors for significantly intense reflections | 0.0393 |
| Weighted residual factors for all reflections included in the refinement | 0.0416 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288248 (current) | 2023-12-12 | cif/ Removed the misspelt '_symmetry_space_group_name_h-m_alt' data name since the same space group information is already provided using proper data names. |
2021923.cif |
| 246122 | 2019-12-26 | cif/ Adding structures of 2021923 via cif-deposit CGI script. |
2021923.cif |
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Users of the data should acknowledge the original authors of the
structural data.