Information card for entry 2014465

Structure parameters

• Chemical name: catena-Poly[[diaquacadmium(II)]-μ-5-carboxy-1H-imidazole-4-carboxylato- κ^4^N^3^,O^4^:O^5^,N^1^]
• Formula: C5 H6 Cd N2 O6
• Calculated formula: C5 H6 Cd N2 O6
• SMILES: [Cd]12([O]=C(O)c3n1cnc3C(=O)[O-])([OH2])([OH2])OC(=O)c1[n]2cn2[Cd]([O]=C(c12)O)([OH2])[OH2]
• Title of publication: <i>catena</i>-Poly[[diaquacadmium(II)]-μ-5-carboxyimidazole-4-carboxylato-κ^4^<i>N</i>^1^,<i>O</i>^5^:<i>O</i>^4^,<i>N</i>^3^]
• Authors of publication: Yan-Qiong Sun; Jie Zhang; Guo-Yu Yang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m590 - m591
• a: 10.328 ± 0.0012 Å
• b: 13.2177 ± 0.0014 Å
• c: 13.1813 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1799.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No