Information card for entry 2212139

Structure parameters

• Chemical name: Aqua(2,2'-bipyridyl)bis(furan-2-carboxylato)zinc(II)
• Formula: C20 H16 N2 O7 Zn
• Calculated formula: C20 H16 N2 O7 Zn
• SMILES: [Zn]1([n]2c(c3cccc[n]13)cccc2)(OC(=O)c1ccco1)(OC(=O)c1ccco1)[OH2]
• Title of publication: Aqua(2,2'-bipyridyl)bis(furan-2-carboxylato)zinc(II)
• Authors of publication: Ai, Chang-Chun; Xiang, Jiang-Feng; Li, Ming; Yuan, Liang-Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m565 - m566
• a: 6.854 ± 0.0005 Å
• b: 17.028 ± 0.001 Å
• c: 16.37 ± 0.001 Å
• α: 90°
• β: 96.016 ± 0.001°
• γ: 90°
• Cell volume: 1900 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0376
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes