Information card for entry 4519474

Structure parameters

• Chemical name: 2,3-diaminobenzene-1,4-diammonium sulfate
• Formula: C6 H12 N4 O4 S
• Calculated formula: C6 H12 N4 O4 S
• 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: 6.4293 ± 0.0004 Å
• b: 7.6672 ± 0.0005 Å
• c: 18.4558 ± 0.0012 Å
• α: 90°
• β: 93.007 ± 0.003°
• γ: 90°
• Cell volume: 908.52 ± 0.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes