Information card for entry 2229558

Structure parameters

• Chemical name: Bis(2,6-diaminopyridinium) bis(hydrogen oxalate) monohydrate
• Formula: C14 H20 N6 O9
• Calculated formula: C14 H20 N6 O9
• SMILES: O=C([O-])C(=O)O.[nH+]1c(N)cccc1N.O
• Title of publication: Bis(2,6-diaminopyridinium) bis(hydrogen oxalate) monohydrate
• Authors of publication: Al-Dajani, Mohammad T. M.; Talaat, Jamal; Shamsuddin, Shaharum; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o591 - o592
• a: 8.1681 ± 0.0001 Å
• b: 34.8396 ± 0.0004 Å
• c: 7.2031 ± 0.0001 Å
• α: 90°
• β: 114.573 ± 0.001°
• γ: 90°
• Cell volume: 1864.16 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes