Information card for entry 7710723

Structure parameters

• Common name: 4-methyl-2,5-diaminotetrazolium azide
• Chemical name: 4-methyl-2,5-diaminotetrazolium azide
• Formula: C2 H7 N9
• Calculated formula: C2 H7 N9
• SMILES: n1n(n[n+](c1N)C)N.[N-]=N#N
• Title of publication: Chemistry of 2,5-diaminotetrazole.
• Authors of publication: Bauer, Josh; Benz, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• a: 6.2958 ± 0.0003 Å
• b: 8.4859 ± 0.0004 Å
• c: 13.1114 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 700.48 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0885
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.2027
• Weighted residual factors for all reflections included in the refinement: 0.2093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No