Information card for entry 2200946

Structure parameters

• Formula: C28 H28 Cd2 N4 O22
• Calculated formula: C28 H28 Cd2 N4 O22
• SMILES: C(=O)(O)c1cccc(C(=O)O)n1.[Cd]123(OC(=O)c4[n]1c(ccc4)C(=O)[O]2[Cd]12([n]4c(cccc4C([O]2)=O)C(=O)[O]31)([OH2])([OH2])[OH2])([OH2])([OH2])[OH2].c1(cccc(C(=O)O)n1)C(=O)O
• Title of publication: Hexaaquabis(μ-pyridine-2,6-dicarboxylato-<i>O,N,O</i>':<i>O</i>)dicadmium(II)-pyridine-2,6-dicarboxylic acid (1/2)
• Authors of publication: Odoko, Mamiko; Kusano, Ai; Okabe, Nobuo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: m25 - m27
• a: 9.222 ± 0.003 Å
• b: 14.768 ± 0.003 Å
• c: 12.239 ± 0.003 Å
• α: 90°
• β: 97.7 ± 0.02°
• γ: 90°
• Cell volume: 1651.8 ± 0.8 ų
• Cell temperature: 296.2 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 significantly intense reflections: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes