Information card for entry 2223816

Structure parameters

• Chemical name: Bis(2,6-diaminopyridinium) tartrate monohydrate
• Formula: C14 H22 N6 O7
• Calculated formula: C14 H22 N6 O7
• SMILES: O[C@H](C(=O)[O-])[C@H](O)C(=O)[O-].[nH+]1c(N)cccc1N.[nH+]1c(N)cccc1N.O.O[C@@H](C(=O)[O-])[C@@H](O)C(=O)[O-].[nH+]1c(N)cccc1N.[nH+]1c(N)cccc1N.O
• Title of publication: Bis(2,6-diaminopyridinium) tartrate monohydrate
• Authors of publication: Al-Dajani, Mohammad T. M.; Abdallah, Hassan H.; Mohamed, Nornisah; Goh, Jia Hao; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2939 - o2940
• a: 14.4722 ± 0.0002 Å
• b: 15.727 ± 0.0002 Å
• c: 7.8419 ± 0.0001 Å
• α: 90°
• β: 96.916 ± 0.001°
• γ: 90°
• Cell volume: 1771.86 ± 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: 0.0747
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes