Information card for entry 2221179

Structure parameters

• Common name: Potassium oxalurate monohydrate
• Chemical name: poly[aqua-μ~3~-oxalurato-potassium(I)]
• Formula: C3 H5 K N2 O5
• Calculated formula: C3 H5 K N2 O5
• SMILES: C(=O)(C(=O)NC(N)=O)[O-].[K+].O
• Title of publication: Potassium oxalurate monohydrate
• Authors of publication: Zhang, Lian-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m308 - m309
• a: 7.7313 ± 0.0017 Å
• b: 12.799 ± 0.003 Å
• c: 6.9313 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 685.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes