Information card for entry 7019818

Structure parameters

• Common name: 5-Nitriminotetrazole 2-amino-5H-tetrazole
• Chemical name: 5-Nitriminotetrazole 2-amino-5H-tetrazole
• Formula: C2 H5 N11 O2
• Calculated formula: C2 H5 N11 O2
• SMILES: [nH]1nn[nH]c1=NN(=O)=O.c1nn(N)nn1
• 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: 13.0616 ± 0.0009 Å
• b: 8.8579 ± 0.0006 Å
• c: 6.9023 ± 0.0005 Å
• α: 90°
• β: 90.859 ± 0.007°
• γ: 90°
• Cell volume: 798.49 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 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: 0.0496
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No