Information card for entry 2222545

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[tetraaquamanganese(II)]-μ-4,4'-bipyridine] bis(3-hydroxycinnamate) dihydrate]
• Formula: C28 H34 Mn N2 O12
• Calculated formula: C28 H34 Mn N2 O12
• SMILES: [Mn]([OH2])([OH2])([OH2])([OH2])[n]1ccc(cc1)c1cc[n](cc1)[Mn]([OH2])([OH2])([OH2])([OH2])[n]2ccc(c3ccncc3)cc2.O=C([O-])/C=C/c1cccc(O)c1.O.[O-]C(=O)/C=C/c1cccc(O)c1.O.O=C([O-])/C=C/c1cccc(O)c1.O.[O-]C(=O)/C=C/c1cccc(O)c1.O
• Title of publication: <i>catena</i>-Poly[[[tetraaquamanganese(II)]-μ-4,4'-bipyridine] bis(3-hydroxycinnamate) dihydrate]
• Authors of publication: Tang, Zhi-Wei; Fu, Jun-Dan; Jiang, Long-Ping; Wen, Yi-Hang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m979
• a: 11.662 ± 0.0012 Å
• b: 11.2726 ± 0.0013 Å
• c: 11.6238 ± 0.0013 Å
• α: 90°
• β: 96.52 ± 0.009°
• γ: 90°
• Cell volume: 1518.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes