Information card for entry 7019823

Structure parameters

• Common name: 5,5-bis(1,2-aminotetrazole
• Chemical name: 5,5-bis(1,2-aminotetrazole
• Formula: C2 H4 N10
• Calculated formula: C2 H4 N10
• SMILES: n1(nnnc1c1nn(nn1)N)N
• Title of publication: Amination of energetic anions: high-performing energetic materials.
• Authors of publication: Klapötke, Thomas M; Piercey, Davin G.; Stierstorfer, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 31
• Pages of publication: 9451 - 9459
• a: 10.2063 ± 0.0003 Å
• b: 6.2946 ± 0.0002 Å
• c: 19.7287 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1267.46 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 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: 0.0363
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No