Information card for entry 7202384

Structure parameters

• Common name: N,N-Bis(1H-tetrazol-5-yl)amine monohydrate
• Chemical name: N,N-Bis(1H-tetrazol-5-yl)amine monohydrate
• Formula: C2 H5 N9 O
• Calculated formula: C2 H5 N9 O
• SMILES: O.n1nn[nH]c1Nc1[nH]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: 9.3669 ± 0.0019 Å
• b: 10.531 ± 0.002 Å
• c: 6.8081 ± 0.0014 Å
• α: 90°
• β: 90.42 ± 0.03°
• γ: 90°
• Cell volume: 671.6 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• 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: 0.0464
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No