Information card for entry 7104409

Structure parameters

• Common name: oxalic acid dihydrate
• Chemical name: oxalic acid dihydrate
• Formula: C H3 O3
• Calculated formula: C H3 O3
• Title of publication: Hydrogen migration in oxalic acid di-hydrate at high pressure?
• Authors of publication: Casati, Nicola; Macchi, Piero; Sironi, Angelo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 19
• Pages of publication: 2679 - 2681
• a: 5.8093 ± 0.0007 Å
• b: 3.1657 ± 0.0009 Å
• c: 11.676 ± 0.004 Å
• α: 90°
• β: 106.01 ± 0.04°
• γ: 90°
• Cell volume: 206.39 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Ambient diffracton pressure: 3600000 kPa
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No