Information card for entry 2015289

Structure parameters

• Common name: glycinium oxalate (2:1)
• Chemical name: bis(glycinium) oxalate
• Formula: C6 H12 N2 O8
• Calculated formula: C6 H12 N2 O8
• SMILES: C(=O)(O)C[NH3+].O=C(C(=O)[O-])[O-].C(=O)(C[NH3+])O
• Title of publication: Bis(glycinium) oxalate: evidence of strong hydrogen bonding
• Authors of publication: R. Chitra; Vijay Thiruvenkatam; V. D. Alur; R. R. Choudhury; E. Ramadasen; M. V. Hosur; T. N. Guru Row
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o274 - o276
• a: 4.9199 ± 0.0018 Å
• b: 9.959 ± 0.004 Å
• c: 10.859 ± 0.004 Å
• α: 90°
• β: 97.513 ± 0.005°
• γ: 90°
• Cell volume: 527.5 ± 0.3 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes