Information card for entry 2205763

Structure parameters

• Chemical name: catena-Poly[[aqua(2,2'-bipyridine-κ^2^N,N')manganese(II)]-μ- 4-carboxylatophenoxyacetato-κ^3^O,O':O'']
• Formula: C19 H16 Mn N2 O6
• Calculated formula: C19 H16 Mn N2 O6
• SMILES: [Mn]12([n]3ccccc3c3[n]1cccc3)(OC(=[O]2)c1ccc(OCC(=O)[O-])cc1)([OH2])OC(=O)COc1ccc(C2=[O][Mn]3([n]4ccccc4c4[n]3cccc4)(O2)[OH2])cc1
• Title of publication: <i>catena</i>-Poly[[aqua(2,2'-bipyridine-κ^2^<i>N,N</i>')manganese(II)]-μ-4-carboxylatophenoxyacetato-κ^3^<i>O,O</i>':<i>O</i>'']
• Authors of publication: Gao, Shan; Huo, Li-Hua; Liu, Ji-Wei; Zhao, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m989 - m991
• a: 14.379 ± 0.002 Å
• b: 13.234 ± 0.002 Å
• c: 19.705 ± 0.003 Å
• α: 90°
• β: 104 ± 0.03°
• γ: 90°
• Cell volume: 3638.3 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1334
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes