Information card for entry 2207313

Structure parameters

• Chemical name: catena-poly[[[bis(1H-imidazole)zinc(II)]-μ-3-carboxylatophenoxyacetato] trihydrate]
• Formula: C15 H20 N4 O8 Zn
• Calculated formula: C15 H20 N4 O8 Zn
• SMILES: [Zn]([n]1c[nH]cc1)([n]1c[nH]cc1)(OC(=O)c1cccc(OCC(=O)[O-])c1)OC(=O)COc1cccc(C(=O)O[Zn]([n]2c[nH]cc2)[n]2c[nH]cc2)c1.O.O.O.O.O.O
• Title of publication: A one-dimensional helical chain polymer: <i>catena</i>-poly[[[bis(1<i>H</i>-imidazole)zinc(II)]-μ-3-carboxylatophenoxyacetato] trihydrate]
• 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: m2286 - m2288
• a: 11.32 ± 0.002 Å
• b: 10.122 ± 0.002 Å
• c: 17.69 ± 0.004 Å
• α: 90°
• β: 108.28 ± 0.03°
• γ: 90°
• Cell volume: 1924.6 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes