Information card for entry 7235812

Structure parameters

• Common name: 5,5-bis(2,3-diaminotriazolium) 1-methyl-5-nitriminotetrazolate dihydrate
• Chemical name: 5,5-bis(2,3-diaminotriazolium) 1-methyl-5-nitriminotetrazolate dihydrate
• Formula: C8 H20 N22 O6
• Calculated formula: C8 H20 N22 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: 6.4916 ± 0.0003 Å
• b: 7.9296 ± 0.0004 Å
• c: 10.1535 ± 0.0005 Å
• α: 87.069 ± 0.004°
• β: 77.437 ± 0.004°
• γ: 84.279 ± 0.004°
• Cell volume: 507.37 ± 0.04 ų
• Cell temperature: 173 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: 0.0329
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No