Information card for entry 2240629

Structure parameters

• Chemical name: Dimethylammonium hydrogen oxalate hemi(oxalic acid)
• Formula: C10 H20 N2 O12
• Calculated formula: C10 H20 N2 O12
• SMILES: C(=O)(C(=O)O)[O-].C(=O)(O)C(=O)O.C[NH2+]C.C(=O)(C(=O)O)[O-].C[NH2+]C
• Title of publication: Crystal structure of dimethylammonium hydrogen oxalate hemi(oxalic acid)
• Authors of publication: Diallo, Waly; Gueye, Ndongo; Crochet, Aurélien; Plasseraud, Laurent; Cattey, Hélène
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: 473 - 475
• a: 5.6519 ± 0.0003 Å
• b: 7.5809 ± 0.0004 Å
• c: 10.31 ± 0.0006 Å
• α: 75.467 ± 0.002°
• β: 88.12 ± 0.002°
• γ: 69.487 ± 0.002°
• Cell volume: 399.76 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes