Information card for entry 7228505

Structure parameters

• Formula: H18 O12 S
• Calculated formula: H18 O12 S
• SMILES: [OH2][H][OH2].[OH2][H][OH2].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: 7.467 ± 0.004 Å
• b: 7.467 ± 0.004 Å
• c: 21.445 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1195.7 ± 1.1 ų
• Ambient diffraction temperature: 163 K
• Number of distinct elements: 3
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No