Information card for entry 7036389

Structure parameters

• Common name: 5-(5-amino-2H-1,2,3-triazol-4-yl)-1H-tetrazole
• Chemical name: 5-(5-amino-2H-1,2,3-triazol-4-yl)-1H-tetrazole
• Formula: C3 H4 N8
• Calculated formula: C3 H4 N8
• SMILES: n1nn[nH]c1c1n[nH]nc1N
• Title of publication: Energetic derivatives of 5-(5-amino-2H-1,2,3-triazol-4-yl)-1H-tetrazole.
• Authors of publication: Izsák, Dániel; Klapötke, Thomas M; Pflüger, Carolin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 39
• Pages of publication: 17054 - 17063
• a: 6.9019 ± 0.0004 Å
• b: 11.6423 ± 0.0007 Å
• c: 8.0685 ± 0.0004 Å
• α: 90°
• β: 113.881 ± 0.002°
• γ: 90°
• Cell volume: 592.83 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0382
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No