Information card for entry 2210798

Structure parameters

• Chemical name: ammonium oxalate oxalic acid dihydrate
• Formula: C4 H11 N O10
• Calculated formula: C4 H11 N O10
• SMILES: C(=O)(O)C(=O)O.C(=O)(O)C(=O)[O-].[NH4+].O.O
• Title of publication: Redetermination of ammonium oxalate oxalic acid dihydrate
• Authors of publication: Gustavo Portalone; Marcello Colapietro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4725 - o4727
• a: 6.3387 ± 0.0008 Å
• b: 7.2227 ± 0.0009 Å
• c: 10.5527 ± 0.0011 Å
• α: 94.172 ± 0.01°
• β: 100.274 ± 0.01°
• γ: 97.704 ± 0.01°
• Cell volume: 468.77 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.710689 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes