Information card for entry 4519479

Structure parameters

• Chemical name: benzene-1,2,4,5-tetrakis(ammonium) bis(hydrogen sulfate) sulfate
• Formula: C6 H16 N4 O12 S3
• Calculated formula: C6 H16 N4 O12 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: 9.3639 ± 0.0003 Å
• b: 8.0701 ± 0.0002 Å
• c: 10.3114 ± 0.0003 Å
• α: 90°
• β: 90.497 ± 0.001°
• γ: 90°
• Cell volume: 779.18 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes