Information card for entry 7052928

Structure parameters

• Formula: C4 H8 N6
• Calculated formula: C4 H8 N6
• SMILES: n1nnn(N=C(C)C)c1N
• Title of publication: 1,1′-Diamino-5,5′-azotetrazole: a nitrogen rich compound
• Authors of publication: Li, Fang; Cong, Xiaomin; Du, Zhiming; He, Chunlin; Zhao, Linshuang; Meng, Lingqiao
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 10
• Pages of publication: 1953
• a: 7.533 ± 0.003 Å
• b: 7.408 ± 0.002 Å
• c: 12.029 ± 0.004 Å
• α: 90°
• β: 96.629 ± 0.004°
• γ: 90°
• Cell volume: 666.8 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• 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: 0.0645
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No