Information card for entry 2207198

Structure parameters

• Chemical name: catena-Poly[tetraaquamanganese(II)-μ-4,4'-bipyridine] catena-poly[diaquamanganate(II)-di-μ-4-carboxyphenoxyacetato] dihydrate
• Formula: C28 H36 Mn2 N2 O18
• Calculated formula: C28 H36 Mn2 N2 O18
• SMILES: [Mn]([OH2])([OH2])([OH2])([OH2])([n]1ccc(cc1)c1cc[n](cc1)[Mn]([OH2])([OH2])([OH2])[OH2])[n]1ccc(cc1)c2ccncc2.[Mn]1(OC(=O)c2ccc(cc2)OCC(=O)O[Mn](OC(=O)c3ccc(OCC(=O)O1)cc3)([OH2])[OH2])(OC(=O)c1ccc(OCC(=O)[O-])cc1)(OC(=O)COc1ccc(C(=O)[O-])cc1)([OH2])[OH2].O.O.O.O
• Title of publication: <i>catena</i>-Poly[tetraaquamanganese(II)-μ-4,4'-bipyridine] <i>catena</i>-poly[[diaquamanganate(II)-di-μ-4-carboxyphenoxyacetato] dihydrate]
• Authors of publication: Gao, Shan; Huo, Li-Hua; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2270 - m2272
• a: 7.688 ± 0.002 Å
• b: 10.163 ± 0.002 Å
• c: 10.797 ± 0.002 Å
• α: 94.08 ± 0.03°
• β: 101.01 ± 0.03°
• γ: 100.46 ± 0.03°
• Cell volume: 809.4 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 3 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes