Information card for entry 8107197

Structure parameters

• Chemical name: bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane hydrogen oxalate hemioxalate
• Formula: C8 H11 N8 O6
• Calculated formula: C8 H11 N8 O6
• Title of publication: Crystal structure of the double salt bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane hydrogen oxalate hemioxalate, C8H11N8O6
• 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: 715 - 717
• a: 5.6348 ± 0.0008 Å
• b: 19.485 ± 0.003 Å
• c: 11.5316 ± 0.0017 Å
• α: 90°
• β: 101.013 ± 0.002°
• γ: 90°
• Cell volume: 1242.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0504
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No