Information card for entry 7000350

Structure parameters

• Common name: 5-aminotetrazolium dinitramide
• Chemical name: 5-aminotetrazolium dinitramide
• Formula: C H4 N8 O4
• Calculated formula: C H4 N8 O4
• SMILES: [nH]1nn[nH+]c1N.O=N(=O)N=N(=O)[O-]
• Title of publication: Azidoformamidinium and 5-aminotetrazolium dinitramide—two highly energetic isomers with a balanced oxygen content
• Authors of publication: Klapötke, Thomas M.; Stierstorfer, Jörg
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• a: 4.6283 ± 0.0003 Å
• b: 9.458 ± 0.0006 Å
• c: 9.0071 ± 0.0005 Å
• α: 90°
• β: 119.343 ± 0.004°
• γ: 90°
• Cell volume: 343.7 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No