Information card for entry 2204797

Structure parameters

• Chemical name: catena-Poly[[[diaquabis(3-hydroxypyridine-κN)cobalt(II)]-μ- (4-carboxylatophenoxyacetato-κ^2^O:O'] monohydrate]
• Formula: C19 H22 Co N2 O10
• Calculated formula: C19 H22 Co N2 O10
• SMILES: [Co]([n]1cccc(O)c1)([n]1cccc(O)c1)(OC(=O)COc1ccc(cc1)C(=O)[O-])([OH2])([OH2])OC(=O)c1ccc(OCC(=O)O[Co]([n]2cccc(O)c2)([n]2cccc(O)c2)([OH2])[OH2])cc1.O.O
• Title of publication: <i>catena</i>-Poly[[[diaquabis(3-hydroxypyridine-κ<i>N</i>)cobalt(II)]-μ-(4-carboxylatophenoxy)acetato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]
• Authors of publication: Gao, Shan; Gu, Chang-Sheng; Huo, Li-Hua; Liu, Ji-Wei; Zhao, Jing-Gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1830 - m1832
• a: 7.559 ± 0.0015 Å
• b: 10.862 ± 0.002 Å
• c: 13.144 ± 0.003 Å
• α: 72.12 ± 0.03°
• β: 80.82 ± 0.03°
• γ: 84.33 ± 0.03°
• Cell volume: 1012.5 ± 0.4 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: 0.043
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes