Information card for entry 2204891

Structure parameters

• Chemical name: catena-Poly[bis[[tetraaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^N:N']] bis(3-carboxylatophenoxyacetate) dihydrate]
• Formula: C38 H48 Co2 N4 O20
• Calculated formula: C38 H48 Co2 N4 O20
• SMILES: [Co]([OH2])([OH2])([OH2])([OH2])([n]1ccc(cc1)c1cc[n](cc1)[Co]([OH2])([OH2])([OH2])[OH2])[n]1ccc(cc1)c1ccncc1.O=C([O-])c1cccc(OCC(=O)[O-])c1.O.[O-]C(=O)c1cccc(OCC(=O)[O-])c1.O
• Title of publication: <i>catena</i>-Poly[[[tetraaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 3-carboxylatophenoxyacetate monohydrate]
• Authors of publication: Zhao, Jing-Gui; Gu, Chang-Sheng; Gao, Shan; Huo, Li-Hua; Liu, Ji-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m33 - m35
• a: 9.2704 ± 0.0019 Å
• b: 11.161 ± 0.002 Å
• c: 11.456 ± 0.002 Å
• α: 108.72 ± 0.03°
• β: 106.56 ± 0.03°
• γ: 90.39 ± 0.03°
• Cell volume: 1069.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0827
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes