Information card for entry 2205128

Structure parameters

• Common name: Hexaaquamagnesium(II) benzene-1,4-dioxyacetate
• Chemical name: Hexaaquamagnesium(II) p-phenylenebis(oxyacetate)
• Formula: C10 H20 Mg O12
• Calculated formula: C10 H20 Mg O12
• SMILES: C(=O)([O-])COc1ccc(cc1)OCC(=O)[O-].[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]
• Title of publication: Hexaaquamagnesium(II) benzene-1,4-dioxyacetate
• Authors of publication: Yang, Qian; Gao, Shan; Huo, Li-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m277 - m278
• a: 5.5677 ± 0.0011 Å
• b: 6.3662 ± 0.0013 Å
• c: 11.62 ± 0.002 Å
• α: 102.11 ± 0.03°
• β: 95.59 ± 0.03°
• γ: 106.68 ± 0.03°
• Cell volume: 380.26 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0529
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.122
• 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