Information card for entry 2215852

Structure parameters

• Chemical name: catena-Poly[[aqua(4,4'-bipyridine-κ^2^N,N')manganese(II)]- μ-3-(4-carboxylatophenoxy)propionato-κ^3^O:O',O'']
• Formula: C20 H18 Mn N2 O6
• Calculated formula: C20 H18 Mn N2 O6
• SMILES: [Mn]12(OC(=O)CCOc3ccc(cc3)C(=O)[O-])([OH2])([n]3ccccc3c3[n]1cccc3)[O]=C(O2)c1ccc(OCCC(=O)O[Mn]2([OH2])[n]3ccccc3c3[n]2cccc3)cc1
• Title of publication: <i>catena</i>-Poly[[aqua(4,4'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-3-(4-carboxylatophenoxy)propionato-κ^3^<i>O</i>:<i>O</i>',<i>O</i>'']
• Authors of publication: Li-Li Kong; Shan Gao; Li-Hua Huo; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2851 - m2851
• a: 6.777 ± 0.0003 Å
• b: 16.2626 ± 0.0006 Å
• c: 17.373 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1914.71 ± 0.12 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: 0.0592
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes