Information card for entry 2230592

Structure parameters

• Chemical name: Diaquabis(1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)zinc
• Formula: C8 H10 N4 O6 Zn
• Calculated formula: C8 H10 N4 O6 Zn
• SMILES: c1[n]2[Zn]3(OC(=O)c2c[nH]1)([OH2])([n]1c(C(=O)O3)c[nH]c1)[OH2]
• Title of publication: Diaquabis(1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)zinc
• Authors of publication: Shuai, Wenlin; Cai, Songliang; Zheng, Shengrun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m897
• a: 7.1399 ± 0.0019 Å
• b: 11.757 ± 0.003 Å
• c: 13.508 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1133.9 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes