Information card for entry 4306605

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: 8.429 ± 0.0009 Å
• b: 9.8938 ± 0.001 Å
• c: 19.195 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1600.8 ± 0.3 ų
• Cell temperature: 463 ± 2 K
• Ambient diffraction temperature: 463 ± 2 K
• Number of distinct elements: 4
• Space group number: 64
• Hermann-Mauguin space group symbol: B b c m
• Hall space group symbol: -B 2 2ab
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No