Information card for entry 2229880

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaqua(1,3-benzimidazole-κ<i>N</i>^3^)manganese(II)]- μ-benzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^] dihydrate]
• Formula: C15 H18 Mn N2 O8
• Calculated formula: C15 H18 Mn N2 O8
• SMILES: [Mn]([n]1c[nH]c2ccccc12)(OC(=O)c1cc(C(=O)[O-])ccc1)([OH2])([OH2])OC(=O)c1cc(ccc1)C(=O)O[Mn]([n]1c[nH]c2ccccc12)([OH2])[OH2].O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diaqua(1,3-benzimidazole-κ<i>N</i>^3^)manganese(II)]-μ-benzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^] dihydrate]
• Authors of publication: Wang, Xiao-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m423 - m424
• a: 18.9148 ± 0.0012 Å
• b: 23.7112 ± 0.0016 Å
• c: 7.8701 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3529.7 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes