Information card for entry 4504093

Structure parameters

• Formula: H22 Mg O15 S
• Calculated formula: H22 Mg O15 S
• SMILES: [Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])[O-].O.O.O.O.O
• Title of publication: Crystallization and Characterization of a New Magnesium Sulfate Hydrate MgSO4·11H2O
• Authors of publication: Genceli, F. Elif; Lutz, Martin; Spek, Anthony L.; Witkamp, Geert-Jan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 2460
• a: 6.72548 ± 0.00007 Å
• b: 6.77937 ± 0.00014 Å
• c: 17.2898 ± 0.0005 Å
• α: 88.255 ± 0.001°
• β: 89.478 ± 0.002°
• γ: 62.598 ± 0.001°
• Cell volume: 699.53 ± 0.03 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No