Information card for entry 2204987

Structure parameters

• Chemical name: catena-Poly[[[tetraaquazinc(II)]-μ-4,4'-bipyridine-κ^2^N:N'] 3-carboxylatophenoxyacetate monohydrate]
• Formula: C19 H24 N2 O10 Zn
• Calculated formula: C19 H24 N2 O10 Zn
• SMILES: [Zn]([OH2])([OH2])([OH2])([OH2])[n]1ccc(cc1)c1cc[n](cc1)[Zn]([n]1ccc(cc1)c1ccncc1)([OH2])([OH2])([OH2])[OH2].[O-]C(=O)COc1cc(ccc1)C(=O)[O-].O=C([O-])COc1cc(ccc1)C(=O)[O-].O.O
• Title of publication: <i>catena</i>-Poly[[[tetraaquazinc(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; Huo, Li-Hua; Liu, Ji-Wei; Gao, Shan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m76 - m78
• a: 9.3049 ± 0.0008 Å
• b: 11.1595 ± 0.0015 Å
• c: 11.4248 ± 0.0018 Å
• α: 108.526 ± 0.005°
• β: 106.493 ± 0.008°
• γ: 90.737 ± 0.006°
• Cell volume: 1071.6 ± 0.2 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: 0.068
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes