Information card for entry 7202387

Structure parameters

• Common name: Bis-(2-methyl-tetrazolyl)amine
• Chemical name: Bis-(2-methyl-tetrazolyl)amine
• Formula: C4 H7 N9
• Calculated formula: C4 H7 N9
• SMILES: n1n(nc(n1)Nc1nn(nn1)C)C
• 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: 10.279 ± 0.002 Å
• b: 11.338 ± 0.002 Å
• c: 6.772 ± 0.0014 Å
• α: 90°
• β: 94.74 ± 0.03°
• γ: 90°
• Cell volume: 786.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No