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Information card for entry 2108433
Preview
| Coordinates | 2108433.cif |
|---|---|
| Structure factors | 2108433.hkl |
| Original paper (by DOI) | HTML |
| Formula | C5 H7 Cl4 N2 Sb |
|---|---|
| Calculated formula | C5 H7 Cl4 N2 Sb |
| SMILES | Nc1cc[nH+]cc1.[Sb](Cl)([Cl-])(Cl)Cl |
| Title of publication | Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited |
| Authors of publication | Gagor, Anna |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 2 |
| Pages of publication | 217 - 225 |
| a | 13.208 ± 0.0004 Å |
| b | 12.526 ± 0.004 Å |
| c | 7.9251 ± 0.0003 Å |
| α | 90° |
| β | 123.914 ± 0.002° |
| γ | 90° |
| Cell volume | 1088.1 ± 0.4 Å3 |
| Cell temperature | 199.9 ± 0.2 K |
| Ambient diffraction temperature | 199.9 ± 0.2 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 | 0.0187 |
| Residual factor for significantly intense reflections | 0.0139 |
| Weighted residual factors for significantly intense reflections | 0.0268 |
| Weighted residual factors for all reflections included in the refinement | 0.0304 |
| Goodness-of-fit parameter for significantly intense reflections | 1.1 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.2 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216068 (current) | 2019-06-18 | cif/ hkl/ Adding structures of 2108433 via cif-deposit CGI script. |
2108433.cif 2108433.hkl |
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Users of the data should acknowledge the original authors of the
structural data.