Information card for entry 2019272

Structure parameters

• Common name: magnesium iodide nonahydrate
• Chemical name: Magnesium diiodide nonahydrate
• Formula: H18 I2 Mg O9
• Calculated formula: H18 I2 Mg O9
• SMILES: [Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[I-].[I-].O.O.O
• 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: 15.0768 ± 0.0013 Å
• b: 6.6334 ± 0.0003 Å
• c: 16.7964 ± 0.0015 Å
• α: 90°
• β: 125.447 ± 0.006°
• γ: 90°
• Cell volume: 1368.5 ± 0.2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No