Information card for entry 7235819

Structure parameters

• Common name: 5,5-bis(3,4-diaminotriazolium) nitrate
• Chemical name: 5,5-bis(3,4-diaminotriazolium) nitrate
• Formula: C4 H10 N12 O6
• Calculated formula: C4 H10 N12 O6
• Title of publication: Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation
• Authors of publication: Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 2658
• a: 6.6825 ± 0.0004 Å
• b: 6.931 ± 0.0004 Å
• c: 7.0089 ± 0.0005 Å
• α: 73.212 ± 0.006°
• β: 89.114 ± 0.006°
• γ: 75.819 ± 0.005°
• Cell volume: 300.79 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No