Information card for entry 2207410

Structure parameters

• Chemical name: catena-Poly[[[diaqua(1,10-phenanthroline-κ^2^N,N')nickel(II)]- μ-4-carboxylatophenoxyacetato-κ^2^O:O'] monohydrate]
• Formula: C21 H20 N2 Ni O8
• Calculated formula: C21 H20 N2 Ni O8
• SMILES: [Ni]1([n]2cccc3ccc4ccc[n]1c4c23)([OH2])([OH2])(OC(=O)COc1ccc(cc1)C(=O)[O-])OC(=O)c1ccc(OCC(=O)O[Ni]2([n]3cccc4ccc5ccc[n]2c5c34)([OH2])[OH2])cc1.O.O
• Title of publication: <i>catena</i>-Poly[[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ-4-carboxylatophenoxyacetato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]
• Authors of publication: Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Jing-Gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2440 - m2442
• a: 6.8077 ± 0.0014 Å
• b: 10.725 ± 0.002 Å
• c: 27.313 ± 0.006 Å
• α: 90°
• β: 96.76 ± 0.03°
• γ: 90°
• Cell volume: 1980.3 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes