Information card for entry 7241393

Structure parameters

• Chemical name: Oxalic acid alpha polymorph
• Formula: C2 H2 O4
• Calculated formula: C2 H2 O4
• Title of publication: Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid
• Authors of publication: Bhattacharya, Suman
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 6.4914 ± 0.0005 Å
• b: 6.0556 ± 0.0005 Å
• c: 7.802 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 306.69 ± 0.04 ų
• Cell temperature: 156 ± 2 K
• Ambient diffraction temperature: 156 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No