Information card for entry 7202388

Structure parameters

• Common name: N,N-Bis(1H-tetrazol-5-yl)amine
• Chemical name: N,N-Bis(1H-tetrazol-5-yl)amine
• Formula: C2 H3 N9
• Calculated formula: C2 H3 N9
• SMILES: [nH]1c(Nc2[nH]nnn2)nnn1
• Title of publication: Bistetrazolylamines—synthesis and characterization
• Authors of publication: Klapötke, Thomas M.; Mayer, Peter; Stierstorfer, Jörg; Weigand, Jan J.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2008
• Journal volume: 18
• Journal issue: 43
• Pages of publication: 5248
• a: 11.109 ± 0.002 Å
• b: 9.2272 ± 0.0018 Å
• c: 21.327 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2186.1 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No