Information card for entry 7202399

Structure parameters

• Common name: C2H8N5, CH2N5
• Formula: C3 H10 N10
• Calculated formula: C3 H10 N10
• SMILES: C(N=C(N)N)(N)=[NH2+].c1(N)[n-]nnn1
• Title of publication: Energetic nitrogen-rich salts and ionic liquids: 5-aminotetrazole (AT) as a weak acid
• Authors of publication: Tao, Guo-Hong; Guo, Yong; Joo, Young-Hyuk; Twamley, Brendan; Shreeve, Jean'ne M.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2008
• Journal volume: 18
• Journal issue: 45
• Pages of publication: 5524
• a: 5.6667 ± 0.0006 Å
• b: 9.4916 ± 0.0011 Å
• c: 15.9768 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 859.33 ± 0.17 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No