Information card for entry 7235860

Structure parameters

• Chemical name: 2,2-dinitroacetohydrazonammonium trifluoromethanesulfonate acetonitrile
• Formula: C5 H9 F3 N6 O7 S
• Calculated formula: C5 H9 F3 N6 O7 S
• Title of publication: 1,1-Diamino-2,2-dinitroethene (FOX-7) and 1-amino-1-hydrazino-2,2-dinitroethene (HFOX) as amphotères: bases with strong acids
• Authors of publication: Vo, Thao T.; Shreeve, Jean'ne M.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 16
• Pages of publication: 8756
• a: 6.2235 ± 0.0009 Å
• b: 10.5855 ± 0.0015 Å
• c: 11.8361 ± 0.0017 Å
• α: 111.318 ± 0.002°
• β: 93.653 ± 0.002°
• γ: 102.778 ± 0.002°
• Cell volume: 699.44 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No