Information card for entry 2015677

Structure parameters

• Chemical name: poly[aqua-μ-imidazole-4,5-dicarboxylato-lead(II)]
• Formula: C5 H4 N2 O5 Pb
• Calculated formula: C5 H4 N2 O5 Pb
• SMILES: [Pb+2].[O-]C(=O)c3nc[nH]c3C(=O)[O-].O
• Title of publication: A three-dimensional lead(II) coordination polymer: poly[aqua-μ-imidazole-4,5-dicarboxylato-lead(II)]
• Authors of publication: Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Hui
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m617 - m619
• a: 7.0301 ± 0.0014 Å
• b: 15.707 ± 0.003 Å
• c: 6.968 ± 0.0014 Å
• α: 90°
• β: 101.77 ± 0.03°
• γ: 90°
• Cell volume: 753.2 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes