Information card for entry 2205640

Structure parameters

• Chemical name: Tetraaquabis(4,6-oxidopyrimidin-1-ium-κ^3^N)cobalt(II)
• Formula: C8 H14 Co N4 O8
• Calculated formula: C8 H14 Co N4 O8
• SMILES: c1([O-])cc(=O)[nH]c[n]1[Co]([OH2])([n]1c([O-])cc(=O)[nH]c1)([OH2])([OH2])[OH2]
• Title of publication: Tetraaquabis(4,6-dioxidopyrimidin-1-ium-κ^3^<i>N</i>)cobalt(II)
• Authors of publication: Huang, You-Gui; Zhou, You-Fu; Yuan, Da-Qiang; Wu, Ben-Lei; Hong, Mao-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m832 - m834
• a: 13.5324 ± 0.0015 Å
• b: 7.2128 ± 0.0008 Å
• c: 12.988 ± 0.0015 Å
• α: 90°
• β: 109.501 ± 0.002°
• γ: 90°
• Cell volume: 1195 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No