Information card for entry 4122418

Structure parameters

• Chemical name: (Z)-N,2,2,2-tetranitroacetimidic acid
• Formula: C2 H N5 O9
• Calculated formula: C2 H N5 O9
• Title of publication: Tetranitroacetimidic Acid: A High Oxygen Oxidizer and Potential Replacement for Ammonium Perchlorate.
• Authors of publication: Vo, Thao T.; Parrish, Damon A.; Shreeve, Jean'ne M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 34
• Pages of publication: 11934
• a: 11.866 ± 0.004 Å
• b: 6.713 ± 0.002 Å
• c: 10.848 ± 0.004 Å
• α: 90°
• β: 93.929 ± 0.004°
• γ: 90°
• Cell volume: 862.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0962
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.2329
• Weighted residual factors for all reflections included in the refinement: 0.2577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No