Information card for entry 2209735

Structure parameters

• Chemical name: Tetraaquabis(4,6-dioxidopyrimidin-1-ium-κN^3^)nickel(II)
• Formula: C8 H14 N4 Ni O8
• Calculated formula: C8 H14 N4 Ni O8
• SMILES: c1([O-])cc(=O)[nH]c[n]1[Ni]([OH2])([OH2])([n]1c([O-])cc(=O)[nH]c1)([OH2])[OH2]
• Title of publication: Tetraaquabis(4,6-dioxidopyrimidin-1-ium-κ<i>N</i>^3^)nickel(II)
• Authors of publication: Yu-Ting Wang; Xin-Hua Lou; Jian-Ge Wang; Yao-Ting Fan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1924 - m1926
• a: 13.491 ± 0.003 Å
• b: 7.1934 ± 0.0014 Å
• c: 13.025 ± 0.003 Å
• α: 90°
• β: 109.79 ± 0.03°
• γ: 90°
• Cell volume: 1189.4 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0167
• Residual factor for significantly intense reflections: 0.0164
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No