Information card for entry 7235818

Structure parameters

• Common name: 5,5-bis-2,3-diaminotriazolium 2,3-tetranitrobisimidazolate
• Chemical name: 5,5-bis-2,3-diaminotriazolium 2,3-tetranitrobisimidazolate
• Formula: C10 H10 N18 O8
• Calculated formula: C10 H10 N18 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: 5.2141 ± 0.0004 Å
• b: 9.8545 ± 0.0006 Å
• c: 17.7329 ± 0.0011 Å
• α: 90°
• β: 98.076 ± 0.002°
• γ: 90°
• Cell volume: 902.12 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No