Information card for entry 1577385

Structure parameters

• Chemical name: 2,6-diamino-4-(5-carboxypyridin-1-ium-2-yl)-1,3,5-triazin-1-ium dinitrate
• Formula: C9 H10 N8 O8
• Calculated formula: C9 H10 N8 O8
• Title of publication: Functional organic ligands tailored by carboxylic acid and diaminotriazinyl for metal-organic framework preparations
• Authors of publication: Duy Tuan Doan; Thi Linh Giang Hoang; Thi Thom Nguyen; Thierry Maris; Phuong Nguyen-Triv
• Journal of publication: J Mol. Struct
• Year of publication: 2026
• Journal volume: 1352
• Pages of publication: 144349
• a: 20.1086 ± 0.0011 Å
• b: 10.2969 ± 0.0007 Å
• c: 6.4819 ± 0.0005 Å
• α: 90°
• β: 91.571 ± 0.006°
• γ: 90°
• Cell volume: 1341.61 ± 0.16 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0492
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes