Information card for entry 2206956

Structure parameters

• Chemical name: catena-Poly[[tris(1H-benzimidazole-κN^3^)manganese(II)]-μ-maleato- κ^3^O,O':κO'']
• Formula: C25 H20 Mn N6 O4
• Calculated formula: C25 H20 Mn N6 O4
• SMILES: [Mn]1([O]=C(O1)/C=C\C(=O)[O-])([n]1c[nH]c2ccccc12)([n]1c[nH]c2ccccc12)([n]1c[nH]c2ccccc12)OC(=O)/C=C\C1=[O][Mn](O1)([n]1c[nH]c2ccccc12)([n]1c[nH]c2ccccc12)[n]1c[nH]c2ccccc12
• Title of publication: <i>catena</i>-Poly[[tris(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)manganese(II)]-μ-maleato-κ^2^<i>O</i>,<i>O</i>':κ<i>O</i>'']
• Authors of publication: Zi-Qiang Hu; Yong Ni; Guo-Qiao Lai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m1975 - m1977
• a: 9.3455 ± 0.0013 Å
• b: 12.2596 ± 0.0013 Å
• c: 21.3592 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2447.2 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes