Information card for entry 7235826

Structure parameters

• Common name: 4,4',5,5'-Tetraamino-3,3'-bi-1,2,4-triazolium bisdinitramide
• Chemical name: 4,4',5,5'-Tetraamino-3,3'-bi-1,2,4-triazolium bisdinitramide
• Formula: C4 H10 N16 O8
• Calculated formula: C4 H10 N16 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: 6.5155 ± 0.0008 Å
• b: 7.7748 ± 0.0011 Å
• c: 8.5036 ± 0.0011 Å
• α: 97.677 ± 0.011°
• β: 107.306 ± 0.011°
• γ: 112.194 ± 0.012°
• Cell volume: 365.76 ± 0.1 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: 0.0552
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No