Information card for entry 7104408

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: 5.983 ± 0.005 Å
• b: 3.331 ± 0.005 Å
• c: 11.833 ± 0.005 Å
• α: 90 ± 0.006°
• β: 106.15 ± 0.03°
• γ: 90 ± 0.005°
• Cell volume: 226.5 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Ambient diffracton pressure: 1600000 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: 0.056
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No