Information card for entry 7710732

Structure parameters

• Common name: di(1,3,5-triaminotetrazolium) 5,5-bistetrazole-1N-dioxide
• Chemical name: di(1,3,5-triaminotetrazolium) 5,5-bistetrazole-1N-dioxide
• Formula: C4 H12 N22 O2
• Calculated formula: C4 H12 N22 O2
• 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: 10.5454 ± 0.0012 Å
• b: 5.1159 ± 0.0006 Å
• c: 14.5922 ± 0.0017 Å
• α: 90°
• β: 106.757 ± 0.01°
• γ: 90°
• Cell volume: 753.81 ± 0.16 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No