Information card for entry 2210103

Structure parameters

• Chemical name: Ethylammonium hydrogen oxalate hemihydrate
• Formula: C4 H10 N O4.5
• Calculated formula: C4 H10 N O4.5
• SMILES: [NH3+]CC.C(=O)(C(=O)[O-])O.O
• Title of publication: Ethylammonium hydrogen oxalate hemihydrate
• Authors of publication: Ejsmont, Krzysztof; Zaleski, Jacek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3879 - o3880
• a: 18.1163 ± 0.0015 Å
• b: 5.6775 ± 0.0005 Å
• c: 14.1207 ± 0.0007 Å
• α: 90°
• β: 102.064 ± 0.005°
• γ: 90°
• Cell volume: 1420.31 ± 0.19 ų
• Cell temperature: 86 ± 1 K
• Ambient diffraction temperature: 86 ± 1 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: 0.044
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes