Information card for entry 2228928

Structure parameters

• Chemical name: Diaquabis(2-oxo-2<i>H</i>-chromene-3-carboxylato- κ^2^<i>O</i>^2^,<i>O</i>^3^)cadmium
• Formula: C20 H14 Cd O10
• Calculated formula: C20 H14 Cd O10
• SMILES: [Cd]12([OH2])([O]=C3C(=Cc4ccccc4O3)C(=O)O1)([O]=C1Oc3ccccc3C=C1C(=O)O2)[OH2]
• Title of publication: Diaquabis(2-oxo-2<i>H</i>-chromene-3-carboxylato-κ^2^<i>O</i>^2^,<i>O</i>^3^)cadmium
• Authors of publication: Cui, Yue; Gao, Qian; Wang, Huan-Huan; Wang, Lin; Xie, Ya-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m126
• a: 6.6736 ± 0.0013 Å
• b: 6.8838 ± 0.0014 Å
• c: 10.477 ± 0.002 Å
• α: 93.37 ± 0.03°
• β: 91.46 ± 0.03°
• γ: 112.07 ± 0.03°
• Cell volume: 444.68 ± 0.18 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.017
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.0453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes