Information card for entry 2218789

Structure parameters

• Chemical name: catena-poly[[diaquamagnesium(II)]-μ-oxalato]
• Formula: C2 H4 Mg O6
• Calculated formula: C2 H4 Mg O6
• SMILES: [Mg]12([OH2])([OH2])([O]=C3O[Mg]([O]=C3O2)([OH2])[OH2])OC(=O)C(=O)O1
• Title of publication: A new polymorph of magnesium oxalate dihydrate
• Authors of publication: Chen, Xue-An; Song, Fang-Ping; Chang, Xin-An; Zang, He-Gui; Xiao, Wei-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m863
• a: 5.394 ± 0.0011 Å
• b: 12.691 ± 0.003 Å
• c: 15.399 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1054.1 ± 0.4 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 4
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes