Information card for entry 2300373

Structure parameters

• Common name: Sulfuric_acid_octahydrate
• Formula: H18 O12 S
• Calculated formula: O12 S
• SMILES: S(=O)(=O)(O)[O-].[OH2][H][OH2].O.O.O.O.O.O
• Title of publication: Structure and thermal expansion of sulfuric acid octahydrate
• Authors of publication: Maynard-Casely, Helen E.; Brand, Helen E. A.; Wallwork, Kia S.
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2012
• Journal volume: 45
• Journal issue: 6
• Pages of publication: 1198 - 1207
• a: 7.44247 ± 0.00011 Å
• b: 7.445 ± 0.0001 Å
• c: 26.1168 ± 0.0003 Å
• α: 90°
• β: 125.043 ± 0.0007°
• γ: 90°
• Cell volume: 1184.78 ± 0.03 ų
• Cell temperature: 80 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor R(I) for significantly intense reflections: 7.462
• Goodness-of-fit parameter for all reflections: 9.113
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.989536 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No