Information card for entry 7236633

Structure parameters

• Formula: C8 H8 K4 N36
• Calculated formula: C8 H8 K4 N36
• Title of publication: Synthesis of 1-(2H-tetrazol-5-yl)-5-nitraminotetrazole and its derivatives from 5-aminotetrazole and cyanogen azide: a promising strategy towards the development of C‒N linked bistetrazolate energetic materials
• Authors of publication: Wang, Binshen; Qi, Xiujuan; Zhang, Wenquan; Wang, Kangcai; Li, Wei; Zhang, Qinghua
• Journal of publication: J. Mater. Chem. A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 39
• Pages of publication: 20867
• a: 7.767 ± 0.003 Å
• b: 11.993 ± 0.004 Å
• c: 7.36 ± 0.003 Å
• α: 90°
• β: 101.904 ± 0.014°
• γ: 90°
• Cell volume: 670.8 ± 0.4 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.0308
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No