Information card for entry 2203119

Structure parameters

• Chemical name: trans-Diaquabis(1H-imidazole-4,5-dicarboxylato-κ^2^N^3^,O^4^)cadmium(II)
• Formula: C10 H10 Cd N4 O10
• Calculated formula: C10 H10 Cd N4 O10
• SMILES: C1(=O)c2c(C(=O)O)[nH]c[n]2[Cd]2(O1)([OH2])([n]1c(C(=O)O2)c(C(=O)O)[nH]c1)[OH2]
• Title of publication: <i>trans</i>-Diaquabis(1<i>H</i>-imidazole-4,5-dicarboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)cadmium(II)
• Authors of publication: Zhang, Xian-Ming; Fang, Rui-Qin; Wu, Hai-Shun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: m12 - m13
• a: 5.0407 ± 0.0007 Å
• b: 23.036 ± 0.003 Å
• c: 6.6601 ± 0.0009 Å
• α: 90°
• β: 111.569 ± 0.002°
• γ: 90°
• Cell volume: 719.2 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 0.74
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes