Information card for entry 4312153

Structure parameters

• Common name: [Me2-NH2-tetrazole][NO3]
• Formula: C3 H8 N6 O3
• Calculated formula: C3 H8 N6 O3
• SMILES: c1(C)nn(n[n+]1C)N.N(=O)(=O)[O-]
• Title of publication: Energetic Salts from N-Aminoazoles
• Authors of publication: Hong Xue; Sean W. Arritt; Brendan Twamley; Jean'ne M. Shreeve
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7972 - 7977
• a: 6.7172 ± 0.0006 Å
• b: 7.8064 ± 0.0007 Å
• c: 14.6333 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 767.33 ± 0.12 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No