Information card for entry 2210982

Structure parameters

• Chemical name: Hexaaquamagnesium(II) bis(5-carboxy-1H-imidazole-4-carboxylate) dihydrate
• Formula: C10 H22 Mg N4 O16
• Calculated formula: C10 H22 Mg N4 O16
• SMILES: [Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.OC(=O)c1nc[nH]c1C(=O)[O-].[O-]C(=O)c1nc[nH]c1C(=O)O
• Title of publication: Hexaaquamagnesium(II) bis(5-carboxy-1<i>H</i>-imidazole-4-carboxylate) dihydrate
• Authors of publication: Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2898 - m2900
• a: 7.0532 ± 0.0014 Å
• b: 14.637 ± 0.003 Å
• c: 9.7455 ± 0.0019 Å
• α: 90°
• β: 107.47 ± 0.03°
• γ: 90°
• Cell volume: 959.7 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes