Information card for entry 2202083

Structure parameters

• Common name: Pyridinuim oxalate oxalic acid dihydrate
• Chemical name: Pyridinium oxalate oxalic acid dihydrate
• Formula: C9 H13 N O10
• Calculated formula: C9 H13 N O10
• SMILES: O=C(O)C(=O)O.O=C(O)C(=O)[O-].O.O.[nH+]1ccccc1
• Title of publication: Pyridinium oxalate(1‒) oxalic acid dihydrate
• Authors of publication: K. Rajagopal; R. V. Krishnakumar; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o742 - o744
• a: 6.992 ± 0.007 Å
• b: 9.539 ± 0.002 Å
• c: 10.098 ± 0.002 Å
• α: 84.36 ± 0.02°
• β: 79.54 ± 0.04°
• γ: 74.71 ± 0.06°
• Cell volume: 638 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes