Information card for entry 1558443

Structure parameters

• 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 ų
• 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