Information card for entry 8105753

Structure parameters

• Chemical name: bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane sulfate
• Formula: C5 H10 N8 O4 S
• Calculated formula: C5 H10 N8 O4 S
• Title of publication: Crystal structure of bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane sulfate, C5H10N8O4S
• Authors of publication: Zhang, Guo-Tao; Wang, Hua; Li, Hong-Ya; Yan, Biao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 571 - 572
• a: 7.732 ± 0.0011 Å
• b: 12.8686 ± 0.0019 Å
• c: 5.0657 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 504.04 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 32
• Hermann-Mauguin space group symbol: P b a 2
• Hall space group symbol: P 2 -2ab
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No