Information card for entry 4519475

Structure parameters

• Chemical name: 5-aminobenzene-1,2,4-triammonium sesquikis(sulfate) dihydrate
• Formula: C12 H34 N8 O16 S3
• Calculated formula: C12 H34 N8 O16 S3
• Title of publication: Strongly Hydrogen-Bonded Networks Formed by Sulfate and Bisulfate Salts of Benzenetetramines
• Authors of publication: Johann O. E. Sosoe; Thierry Maris; James D. Wuest
• Journal of publication: Crystal Growth and Design
• Year of publication: 2023
• Journal volume: 23
• Pages of publication: 8865 - 8874
• a: 7.604 ± 0.0004 Å
• b: 33.9391 ± 0.0019 Å
• c: 9.6678 ± 0.0005 Å
• α: 90°
• β: 90.578 ± 0.003°
• γ: 90°
• Cell volume: 2494.9 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1082
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.2158
• Weighted residual factors for all reflections included in the refinement: 0.2216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes