Information card for entry 4306604

Structure parameters

• Formula: H K O4 S
• Calculated formula: H K O4 S
• SMILES: [K+].S(=O)(=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: 8.415 ± 0.0007 Å
• b: 9.796 ± 0.0008 Å
• c: 18.9668 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1563.5 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No