Information card for entry 7000351

Structure parameters

• Common name: 2-Methyl-5-aminotetrazolium dinitramide
• Chemical name: 2-Methyl-5-aminotetrazolium dinitramide
• Formula: C2 H6 N8 O4
• Calculated formula: C2 H6 N8 O4
• SMILES: N(N(=O)=O)=N(=O)[O-].[nH+]1nn(nc1N)C
• 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: 6.6567 ± 0.0008 Å
• b: 7.2645 ± 0.001 Å
• c: 9.8178 ± 0.0012 Å
• α: 110.745 ± 0.012°
• β: 97.586 ± 0.01°
• γ: 105.95 ± 0.011°
• Cell volume: 412.77 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 200 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: 0.0879
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No