Information card for entry 2210958

Structure parameters

• Chemical name: Diaquabis(5-carboxy-1H-imidazole-4-carboxylato-κ^2^N,O)zinc(II) 4,4'-bipyridine solvate
• Formula: C20 H18 N6 O10 Zn
• Calculated formula: C20 H18 N6 O10 Zn
• SMILES: c12c(C(=O)O)[nH]c[n]1[Zn]1([n]3c(c(C(=O)O)[nH]c3)C(=O)O1)(OC2=O)([OH2])[OH2].c1cc(ccn1)c1ccncc1
• Title of publication: Diaquabis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>,<i>O</i>)zinc(II)‒4,4'-bipyridine (1/1)
• Authors of publication: Rui-Qin Zhong; Ru-Qiang Zou; Qiang Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2789 - m2790
• a: 5.0195 ± 0.0005 Å
• b: 6.6503 ± 0.0007 Å
• c: 17.048 ± 0.0017 Å
• α: 86.317 ± 0.002°
• β: 86.687 ± 0.002°
• γ: 72.588 ± 0.002°
• Cell volume: 541.44 ± 0.1 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: 0.0251
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes