Information card for entry 2225012

Structure parameters

• Chemical name: Poly[diaqua(μ~3~-1<i>H</i>-benzimidazole-5,6-dicarboxylato- κ^4^<i>N</i>^3^:<i>O</i>^5^,<i>O</i>^6^:<i>O</i>^6'^)magnesium(II)]
• Formula: C9 H8 Mg N2 O6
• Calculated formula: C9 H8 Mg N2 O6
• SMILES: [Mg]([OH2])[OH2].[O-]C(=O)c1c(C(=O)[O-])cc2[nH]cnc2c1
• Title of publication: Poly[diaqua(μ~3~-1<i>H</i>-benzimidazole-5,6-dicarboxylato-κ^4^<i>N</i>^3^:<i>O</i>^5^,<i>O</i>^6^:<i>O</i>^6'^)magnesium(II)]
• Authors of publication: Wang, Hao; Li, Xiao-Fei; Song, Wen-Dong; Ma, Xiao-Tian; Liu, Juan-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m151
• a: 7.4793 ± 0.0015 Å
• b: 18.958 ± 0.004 Å
• c: 7.3132 ± 0.0015 Å
• α: 90°
• β: 99.38 ± 0.03°
• γ: 90°
• Cell volume: 1023.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes