Information card for entry 2014810

Structure parameters

• Chemical name: catena-Poly[[aquabis(1H-benzimidazole-κN^3^)manganese(II)]-μ-adipato]
• Formula: C20 H22 Mn N4 O5
• Calculated formula: C20 H22 Mn N4 O5
• SMILES: [Mn]([OH2])([n]1c[nH]c2ccccc12)([n]1c[nH]c2ccccc12)OC(=O)CCCCC(=O)O[Mn]([OH2])(OC(=O)CCCCC(=O)[O-])([n]1c[nH]c2ccccc12)[n]1c[nH]c2ccccc12
• Title of publication: <i>catena</i>-Poly[[aquabis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)manganese(II)]-μ-adipato]
• Authors of publication: Yu Liu; Duan-Jun Xu; Chen-Hsiung Hung
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m155 - m157
• a: 15.159 ± 0.004 Å
• b: 16.758 ± 0.004 Å
• c: 8.954 ± 0.002 Å
• α: 90°
• β: 116.534 ± 0.004°
• γ: 90°
• Cell volume: 2035 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No