Information card for entry 4324178

Structure parameters

• Chemical name: potassium (1-amino-2,2-dinitrovinyl)amide
• Formula: C2 H3 K N4 O4
• Calculated formula: C2 H3 K N4 O4
• SMILES: [K+].O=N(=C(C(=N)N)N(=O)=O)[O-]
• Title of publication: FOX-7 (1,1-Diamino-2,2-dinitroethene): Trapped by Copper and Amines
• Authors of publication: Sonali Garg; Haixiang Gao; Damon A. Parrish; Jean'ne M. Shreeve
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 390 - 395
• a: 7.0375 ± 0.0008 Å
• b: 13.4273 ± 0.0016 Å
• c: 6.8708 ± 0.0008 Å
• α: 90°
• β: 104.685 ± 0.002°
• γ: 90°
• Cell volume: 628.05 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0339
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No