Information card for entry 2239397

Structure parameters

• Chemical name: 1-Methylpiperazine-1,4-dium bis(hydrogen oxalate)
• Formula: C9 H16 N2 O8
• Calculated formula: C9 H16 N2 O8
• SMILES: OC(=O)C(=O)[O-].O=C(O)C(=O)[O-].[NH+]1(C)CC[NH2+]CC1
• Title of publication: 1-Methylpiperazine-1,4-dium bis(hydrogen oxalate)
• Authors of publication: Essid, Manel; Marouani, Houda; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o326 - o327
• a: 15.649 ± 0.002 Å
• b: 5.681 ± 0.003 Å
• c: 27.23 ± 0.002 Å
• α: 90°
• β: 104.05 ± 0.02°
• γ: 90°
• Cell volume: 2348.4 ± 1.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.095
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.56083 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes