Information card for entry 7235815

Structure parameters

• Common name: 5,5-bis(3,4-diaminotriazolium) 5-nitrimino-1H-tetrazolate 5,5-bis(3,4-diaminotriazole) hydrate
• Chemical name: 5,5-bis(3,4-diaminotriazolium) 5-nitrimino-1H-tetrazolate 5,5-bis(3,4-diaminotriazole) hydrate
• Formula: C10 H28 N32 O8
• Calculated formula: C10 H28 N32 O8
• 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: 9.275 ± 0.0007 Å
• b: 9.5253 ± 0.0008 Å
• c: 9.8392 ± 0.0008 Å
• α: 109.65 ± 0.007°
• β: 96.08 ± 0.006°
• γ: 116.486 ± 0.008°
• Cell volume: 698.14 ± 0.13 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: 0.0423
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No