Information card for entry 1577383

Structure parameters

• Chemical name: 2,4-diamino-6-(4-carboxyphenyl)-1,3,5-triazin-1-ium perchlorate monohydrate
• Formula: C10 H12 Cl N5 O7
• Calculated formula: C10 H12 Cl N5 O7
• 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: 7.1156 ± 0.0003 Å
• b: 17.2446 ± 0.0006 Å
• c: 11.3834 ± 0.0004 Å
• α: 90°
• β: 104.235 ± 0.004°
• γ: 90°
• Cell volume: 1353.92 ± 0.09 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0454
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes