Information card for entry 2204453

Structure parameters

• Chemical name: Diaquabis(5-carboxy-1H-imidazole-4-carboxylato-κ^2^N^3^,O^4^)zinc(II)
• Formula: C10 H10 N4 O10 Zn
• Calculated formula: C10 H10 N4 O10 Zn
• SMILES: c1[n]2c(C(=O)O[Zn]32([OH2])([n]2c[nH]c(c2C(=O)O3)C(=O)O)[OH2])c(C(=O)O)[nH]1
• Title of publication: Diaquabis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)zinc(II)
• Authors of publication: Liu, Ji-Wei; Gao, Shan; Huo, Li-Hua; Gu, Chang-Sheng; Zhao, Hui; Zhao, Jing-Gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m1697 - m1699
• a: 5.0974 ± 0.001 Å
• b: 22.414 ± 0.005 Å
• c: 6.5617 ± 0.0013 Å
• α: 90°
• β: 111.87 ± 0.03°
• γ: 90°
• Cell volume: 695.7 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes