Information card for entry 1565200

Structure parameters

• Formula: C14 H16 Cd O7
• Calculated formula: C14 H16 Cd O7
• SMILES: [Cd]12(OC(=[O]1)c1ccccc1)(OC(=[O]2)c1ccccc1)([OH2])([OH2])[OH2]
• Title of publication: Zn(II) and Cd(II) monomer, dimer and polymer compounds coordinated by benzoic acid and 4-acetylpyridine: Synthesis and crystal structures
• Authors of publication: Moreno-Gómez, Laura; Sánchez-Férez, Francisco; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 506
• Pages of publication: 119561
• a: 9.6838 ± 0.0006 Å
• b: 10.2466 ± 0.0006 Å
• c: 30.956 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3071.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No