Information card for entry 4306603

Structure parameters

• Formula: K2 O7 S2
• Calculated formula: K2 O7 S2
• SMILES: [K+].[K+].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: 12.454 ± 0.002 Å
• b: 7.3255 ± 0.0011 Å
• c: 7.2985 ± 0.001 Å
• α: 90°
• β: 92.65 ± 0.03°
• γ: 90°
• Cell volume: 665.14 ± 0.17 ų
• Cell temperature: 485 ± 2 K
• Ambient diffraction temperature: 485 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1956
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No