Information card for entry 2239376

Structure parameters

• Chemical name: Diaquabis(cinnamato-κ^2^<i>O</i>,<i>O</i>')cadmium
• Formula: C18 H18 Cd O6
• Calculated formula: C18 H18 Cd O6
• SMILES: [Cd]12([O]=C(/C=C/c3ccccc3)O1)([O]=C(/C=C/c1ccccc1)O2)([OH2])[OH2]
• Title of publication: Diaquabis(cinnamato-κ^2^<i>O</i>,<i>O</i>')cadmium
• Authors of publication: Chooset, Sirinart; Cunningham, Bryan; Kantacha, Anob; Zeller, Matthias; Wongnawa, Sumpun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: m106 - m107
• a: 11.7872 ± 0.0012 Å
• b: 5.3498 ± 0.0005 Å
• c: 13.8817 ± 0.0014 Å
• α: 90°
• β: 99.913 ± 0.001°
• γ: 90°
• Cell volume: 862.3 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0198
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.0459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes