Information card for entry 4306606

Structure parameters

• Formula: H K3 O11 S3
• Calculated formula: H K3 O11 S3
• SMILES: [K+].[K+].[K+].S(=O)(=O)(O)[O-].S(=O)(=O)([O-])OS(=O)(=O)[O-]
• Title of publication: In Situ Crystallography of KHSO4: Probing the Kinetic Pathway for the Evolution of a Pyrolysis Reaction in the Crystalline State
• Authors of publication: Diptikanta Swain; Tayur N. Guru Row
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8613 - 8615
• a: 13.4731 ± 0.0015 Å
• b: 8.165 ± 0.007 Å
• c: 9.811 ± 0.008 Å
• α: 90°
• β: 97.085 ± 0.015°
• γ: 90°
• Cell volume: 1071 ± 1.3 ų
• Cell temperature: 475 ± 2 K
• Ambient diffraction temperature: 475 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1308
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No