Information card for entry 2220044

Structure parameters

• Chemical name: Tetraaquabis(5-hydroxynicotinato-κ<i>N</i>)cadmium(II)
• Formula: C12 H16 Cd N2 O10
• Calculated formula: C12 H16 Cd N2 O10
• SMILES: [Cd]([OH2])([n]1cc(cc(c1)O)C(=O)[O-])([n]1cc(cc(c1)O)C(=O)[O-])([OH2])([OH2])[OH2]
• Title of publication: Tetraaquabis(5-hydroxynicotinato-κ<i>N</i>)cadmium(II)
• Authors of publication: Jiang, Mei-Xiang; Feng, Yun-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1517
• a: 7.219 ± 0.0001 Å
• b: 7.251 ± 0.0001 Å
• c: 8.926 ± 0.0001 Å
• α: 70.377 ± 0.001°
• β: 68.154 ± 0.001°
• γ: 65.717 ± 0.001°
• Cell volume: 385.971 ± 0.009 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0158
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes