Information card for entry 2200025

Structure parameters

• Chemical name: Bis(2-hydroxyethylammonium) oxalate
• Formula: C6 H16 N2 O6
• Calculated formula: C6 H16 N2 O6
• SMILES: C(O)C[NH3+].C(=O)([O-])C(=O)[O-].C(CO)[NH3+]
• Title of publication: Bis(2-hydroxyethylammonium) oxalate
• Authors of publication: Jordanovska, Vera; Naumov, Pancě; Kim, Moon-Jib; Lee, Han-Jun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: o45 - o47
• a: 17.473 ± 0.005 Å
• b: 5.916 ± 0.002 Å
• c: 10.346 ± 0.003 Å
• α: 90°
• β: 118.69 ± 0.02°
• γ: 90°
• Cell volume: 938.2 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.089
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes