Information card for entry 2215010

Structure parameters

• Chemical name: Diaquabis(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylato- κ^2^<i>O</i>,<i>O</i>')cobalt(II)
• Formula: C10 H10 Co N4 O10
• Calculated formula: C10 H10 Co N4 O10
• SMILES: C1(=O)C2C(NC(=O)NC=2)=[O][Co]2(O1)([OH2])(OC(=O)C1C(NC(=O)NC=1)=[O]2)[OH2]
• Title of publication: Diaquabis(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)
• Authors of publication: Xing, Hui-Hui; Chen, Zi-Lu; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2267 - m2267
• a: 5.0608 ± 0.0006 Å
• b: 15.087 ± 0.002 Å
• c: 9.29 ± 0.001 Å
• α: 90°
• β: 99.389 ± 0.001°
• γ: 90°
• Cell volume: 699.81 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes