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Information card for entry 1558443
Preview
| Coordinates | 1558443.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | KH2SPO3 |
|---|---|
| Formula | H2 K O3 P S |
| Calculated formula | H2 K O3 P S |
| SMILES | [K+].S=P([O-])(O)O |
| Title of publication | The Dihydrogenmonothiophosphate and Trihydrogendisulfanediphosphonate Anions. Crystal Structures of KH2SPO3 and [Co(en)2Cl2]H3S2P2O6 |
| Authors of publication | Janickis, Vitalijus; Maroy, Kjartan |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1994 |
| Journal volume | 48 |
| Pages of publication | 461 - 464 |
| a | 6.549 ± 0.001 Å |
| b | 6.317 ± 0.001 Å |
| c | 5.894 ± 0.001 Å |
| α | 90° |
| β | 109.13 ± 0.01° |
| γ | 90° |
| Cell volume | 230.37 ± 0.07 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 8 |
| Hermann-Mauguin space group symbol | C 1 m 1 |
| Hall space group symbol | C -2y |
| Residual factor for significantly intense reflections | 0.015 |
| Weighted residual factors for significantly intense reflections | 0.019 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.22 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253556 (current) | 2020-06-30 | cif/ Adding structures of 1558443 via cif-deposit CGI script. |
1558443.cif |
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Users of the data should acknowledge the original authors of the
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