Information card for entry 7235821

Structure parameters

• Common name: 5,5-bis-3,4-diaminotriazolium 5,5-bis(tetrazole-1-oxide) dihydrate
• Chemical name: 5,5-bis-3,4-diaminotriazolium 5,5-bis(tetrazole-1-oxide) dihydrate
• Formula: C6 H14 N18 O4
• Calculated formula: C6 H14 N18 O4
• 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: 8.9202 ± 0.0007 Å
• b: 14.3723 ± 0.0008 Å
• c: 6.7226 ± 0.0006 Å
• α: 90°
• β: 110.555 ± 0.01°
• γ: 90°
• Cell volume: 806.99 ± 0.12 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: 0.0467
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No