Information card for entry 7710724

Structure parameters

• Common name: 1,3,5-triaminotetrazolium_bromide
• Chemical name: 1,3,5-triaminotetrazolium_bromide
• Formula: C H6 Br N7
• Calculated formula: C H6 Br N7
• 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: 6.2609 ± 0.0007 Å
• b: 11.5021 ± 0.0013 Å
• c: 9.3564 ± 0.0012 Å
• α: 90°
• β: 105.817 ± 0.012°
• γ: 90°
• Cell volume: 648.28 ± 0.14 ų
• Cell temperature: 101 K
• Ambient diffraction temperature: 101 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: 0.0559
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No