Information card for entry 7104407

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: 6.1169 ± 0.0008 Å
• b: 3.6053 ± 0.0006 Å
• c: 12.049 ± 0.003 Å
• α: 90°
• β: 106.303 ± 0.012°
• γ: 90°
• Cell volume: 255.05 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Ambient diffracton pressure: 100 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: 0.0707
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.247
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No