Information card for entry 2209345

Structure parameters

• Chemical name: catena-Poly[[[diaquamanganese(II)]bis(μ-1H-benzimidazole-5-carboxylato-)- κ^2^N^3^:O;κ^2^O:N^3^] dihydrate]
• Formula: C16 H18 Mn N4 O8
• Calculated formula: C16 H18 Mn N4 O8
• SMILES: [Mn]1([OH2])([OH2])(OC(=O)c2cc3[n](c[nH]c3cc2)[Mn]([OH2])([OH2])OC(=O)c2cc3[n]1c[nH]c3cc2)(OC(=O)c1cc2nc[nH]c2cc1)[n]1c2cc(ccc2[nH]c1)C(=O)[O-].O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diaquamanganese(II)]bis(μ-1<i>H</i>-benzimidazole-5-carboxylato)-κ^2^<i>N</i>^3^:<i>O</i>;κ^2^<i>O</i>:<i>N</i>^3^] dihydrate]
• Authors of publication: Deng, Qian-Jun; Zeng, Ming-Hua; Liang, Hong; Ng, Seik Weng; Huang, Ke-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1293 - m1295
• a: 16.246 ± 0.002 Å
• b: 9.076 ± 0.001 Å
• c: 14.198 ± 0.002 Å
• α: 90°
• β: 119.543 ± 0.002°
• γ: 90°
• Cell volume: 1821.3 ± 0.4 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: 0.035
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No