Information card for entry 2018907

Structure parameters

• Common name: magnesium sulfate undecahydrate
• Chemical name: Hexaaquamagnesium(II) sulfate pentahydrate
• 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: MgSO~4~·11H~2~O and MgCrO~4~·11H~2~O based on time-of-flight neutron single-crystal Laue data
• Authors of publication: Fortes, A. Dominic; Wood, Ian G.; Gutmann, Matthias J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: 324 - 329
• a: 6.7283 ± 0.0013 Å
• b: 6.7839 ± 0.0014 Å
• c: 17.332 ± 0.004 Å
• α: 88.181 ± 0.013°
• β: 89.349 ± 0.014°
• γ: 62.515 ± 0.012°
• Cell volume: 701.5 ± 0.3 ų
• Cell temperature: 5 ± 2 K
• Ambient diffraction temperature: 5 ± 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: 0.0668
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1868
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: neutron
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes