Information card for entry 2239288

Structure parameters

• Common name: Potassium oxonate 2/3-hydrate
• Chemical name: Poly[diaquatris(μ~6~-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazine-2-carboxylato)tripotassium]
• Formula: C6 H5 K1.5 N4.5 O7
• Calculated formula: C6 H5 K1.5 N4.5 O7
• Title of publication: Poly[diaquatris(μ~6~-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazine-2-carboxylato)tripotassium]
• Authors of publication: Soudani, Sarra; Aubert, Emmanuel; Wenger, Emmanuel; Jelsch, Christian; Gautier-Luneau, Isabelle; Ben Nasr, Cherif
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: m174 - m175
• a: 7.0284 ± 0.0002 Å
• b: 7.6736 ± 0.0002 Å
• c: 19.2668 ± 0.0004 Å
• α: 90°
• β: 99.355 ± 0.002°
• γ: 90°
• Cell volume: 1025.3 ± 0.05 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes