Information card for entry 7228504

Structure parameters

• Formula: H15 O10.5 S
• Calculated formula: H15 O10.5 S
• SMILES: [OH3+].[OH3+].O.O.O.O.O.S(=O)(=O)([O-])[O-]
• Title of publication: On the highest hydrates of sulfuric acid : formation and structure of H2SO4 . 6.6 H2O and H2SO4 . 8 H2O
• Authors of publication: Mootz, Dietrich; Merschenz-Quack, Angelika
• Journal of publication: Zeitschrift fur Naturforschung B
• Year of publication: 1987
• Journal volume: 42
• Pages of publication: 1231 - 1236
• a: 6.287 ± 0.001 Å
• b: 26.876 ± 0.005 Å
• c: 5.936 ± 0.001 Å
• α: 90°
• β: 112.26 ± 0.01°
• γ: 90°
• Cell volume: 928.3 ± 0.3 ų
• Ambient diffraction temperature: 189 K
• Number of distinct elements: 3
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.019
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.025
• Weighted residual factors for all reflections included in the refinement: 0.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No