Information card for entry 2216279

Structure parameters

• Chemical name: Tetraaqua(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylato- κ^2^N^3^,O)cobalt(II) 2.5-hydrate
• Formula: C5 H15 Co N2 O10.5
• Calculated formula: C5 H15 Co N2 O10.5
• SMILES: C1(=O)C2=CC(=O)NC(=O)N2[Co](O1)([OH2])([OH2])([OH2])[OH2].O.O.O
• Title of publication: Tetraaqua(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)cobalt(II) 2.5-hydrate
• Authors of publication: B. Sridhar; K. Ravikumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2887 - m2888
• a: 20.87 ± 0.0019 Å
• b: 17.1153 ± 0.0016 Å
• c: 7.3375 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2620.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1897
• Weighted residual factors for all reflections included in the refinement: 0.1993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes