Information card for entry 2226028

Structure parameters

• Chemical name: Poly[μ~2~-aqua-aqua(μ~3~-1<i>H</i>-benzimidazole-5,6-dicarboxylato- κ^3^<i>N</i>^3^:<i>O</i>^5^:<i>O</i>^5'^)manganese(II)]
• Formula: C9 H8 Mn N2 O6
• Calculated formula: C9 H8 Mn N2 O6
• SMILES: [Mn]123([OH2])([n]4c[nH]c5c4cc(c(C(=O)[O-])c5)C(=[O]4)O[Mn]5([OH2][Mn]4([n]4c[nH]c6c4cc(c(C(=O)[O-])c6)C(O2)=[O]2)([OH2]5)[OH2])[OH2])[OH2][Mn]2([n]2c[nH]c4c2cc(c(C(=O)[O-])c4)C(=O)[O-])([OH2]1)([OH2])OC(=[O]3)c1c(C(=O)[O-])cc2[nH]cnc2c1
• Title of publication: Poly[μ~2~-aqua-aqua(μ~3~-1<i>H</i>-benzimidazole-5,6-dicarboxylato-κ^3^<i>N</i>^3^:<i>O</i>^5^:<i>O</i>^5'^)manganese(II)]
• Authors of publication: Zheng-De, Tan; Qian-Qian, Hai; Bing, Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m511
• a: 8.8875 ± 0.0018 Å
• b: 9.2079 ± 0.0018 Å
• c: 12.939 ± 0.003 Å
• α: 90°
• β: 97.22 ± 0.03°
• γ: 90°
• Cell volume: 1050.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0374
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes