Information card for entry 4519477

Structure parameters

• Chemical name: 5-aminobenzene-1,2,4-triammonium hydrogen disulfate
• Formula: C6 H14 N4 O8 S2
• Calculated formula: C6 H14 N4 O8 S2
• 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: 7.448 ± 0.0005 Å
• b: 9.8087 ± 0.0007 Å
• c: 17.1698 ± 0.0011 Å
• α: 83.536 ± 0.004°
• β: 81.86 ± 0.004°
• γ: 81.853 ± 0.004°
• Cell volume: 1223.68 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes