Information card for entry 2201228

Structure parameters

• Formula: C11 H17 N5
• Calculated formula: C11 H17 N5
• SMILES: [n]1n[n-]nc1c1ccccc1.[NH2+](CC)CC
• Title of publication: Diethylammonium 5-phenyltetrazolate
• Authors of publication: Ilia A. Guzei; Galina A. Bikzhanova
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o937 - o939
• a: 13.546 ± 0.002 Å
• b: 7.6006 ± 0.0012 Å
• c: 11.698 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1204.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.369
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes