Information card for entry 1551061

Structure parameters

• Chemical name: Ethylammonium hydrogen oxalate‒oxalic acid (2/1)
• Formula: C10 H20 N2 O12
• Calculated formula: C10 H20 N2 O12
• SMILES: [NH3+]CC.C(=O)(C(=O)[O-])O.C(=O)(C(=O)O)O.[NH3+]CC.C(=O)(C(=O)[O-])O
• Title of publication: Ethylammonium hydrogen oxalate‒oxalic acid (2/1)
• Authors of publication: Toure, Assane; Diop, Cheikh Abdoul Khadir; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 5
• Pages of publication: x190635
• a: 21.1667 ± 0.0008 Å
• b: 6.6243 ± 0.0003 Å
• c: 11.3247 ± 0.0004 Å
• α: 90°
• β: 91.509 ± 0.002°
• γ: 90°
• Cell volume: 1587.34 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes