Information card for entry 2019274

Structure parameters

• Common name: magnesium bromide hexahydrate
• Chemical name: Magnesium dibromide hexahydrate
• Formula: Br2 H12 Mg O6
• Calculated formula: Br2 H12 Mg O6
• SMILES: [Br-].[Br-].[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]
• Title of publication: Crystal structures of hydrates of simple inorganic salts. I. Water-rich magnesium halide hydrates MgCl~2~·8H~2~O, MgCl~2~·12H~2~O, MgBr~2~·6H~2~O, MgBr~2~·9H~2~O, MgI~2~·8H~2~O and MgI~2~·9H~2~O
• Authors of publication: Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: 1292 - 1300
• a: 10.2299 ± 0.0016 Å
• b: 7.2642 ± 0.0009 Å
• c: 6.1964 ± 0.0009 Å
• α: 90°
• β: 93.025 ± 0.012°
• γ: 90°
• Cell volume: 459.83 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No