Information card for entry 2211242

Structure parameters

• Chemical name: catena-Poly[[[tetraaquacadmium(II)]-μ-4,4'-bipyridine-κ^2^N:N'] benzene-1,4-dicarboxylate]
• Formula: C18 H20 Cd N2 O8
• Calculated formula: C18 H20 Cd N2 O8
• SMILES: [Cd]([OH2])([OH2])([OH2])([OH2])([n]1ccc(cc1)c1cc[n](cc1)[Cd]([OH2])([OH2])([OH2])[OH2])[n]1ccc(c2ccncc2)cc1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)C(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[[tetraaquacadmium(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] benzene-1,4-dicarboxylate]
• Authors of publication: Ya-Ru Pan; Li-Bin Wang; Pei-Ying Zhan; Yan-Ling Niu; Gao-Quan Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3034 - m3035
• a: 7.029 ± 0.005 Å
• b: 11.649 ± 0.005 Å
• c: 11.541 ± 0.005 Å
• α: 90°
• β: 102.143 ± 0.005°
• γ: 90°
• Cell volume: 923.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes