Information card for entry 2212614

Structure parameters

• Chemical name: Triaqua[2-(6-oxido-4-oxo-3,4-dihydropyimidin-2-ylsulfanyl)acetato]nickel(II) 2.5-hydrate
• Formula: C6 H15 N2 Ni O9.5 S
• Calculated formula: C6 H15 N2 Ni O9.5 S
• Title of publication: Triaqua[2-(6-oxido-4-oxo-3,4-dihydropyimidin-2-ylsulfanyl)acetato]nickel(II) 2.5-hydrate
• Authors of publication: Jiao, Yan; Pan, Zhao-Rui; Fang, Zhi-Jie; Li, Yi-Zhi; Zheng, He-Gen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m761 - m763
• a: 25.272 ± 0.005 Å
• b: 7.5122 ± 0.0016 Å
• c: 13.764 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2613.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0425
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes