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Information card for entry 2108018
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| Coordinates | 2108018.cif |
|---|---|
| Structure factors | 2108018.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | rubidium hydrogen sulfate |
|---|---|
| Formula | H O4 Rb S |
| Calculated formula | H O4 Rb S |
| SMILES | [Rb+].[O-]S(=O)(=O)O |
| Title of publication | Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate |
| Authors of publication | Binns, Jack; McIntyre, Garry J.; Parsons, Simon |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 6 |
| Pages of publication | 855 - 863 |
| a | 14.166 ± 0.005 Å |
| b | 4.5982 ± 0.0009 Å |
| c | 14.326 ± 0.004 Å |
| α | 90° |
| β | 117.68 ± 0.03° |
| γ | 90° |
| Cell volume | 826.4 ± 0.5 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0484 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for all reflections | 0.1823 |
| Weighted residual factors for significantly intense reflections | 0.1162 |
| Weighted residual factors for all reflections included in the refinement | 0.1162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.8328 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188820 (current) | 2016-12-02 | cif/ hkl/ Adding structures of 2108013, 2108014, 2108015, 2108016, 2108017, 2108018, 2108019, 2108020, 2108021 via cif-deposit CGI script. |
2108018.cif 2108018.hkl |
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Users of the data should acknowledge the original authors of the
structural data.