Information card for entry 7236629

Structure parameters

• Formula: C2 H3 K N10 O3
• Calculated formula: C2 H3 K N10 O3
• 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: 6.3241 ± 0.0009 Å
• b: 18.197 ± 0.003 Å
• c: 7.7647 ± 0.0011 Å
• α: 90°
• β: 95.544 ± 0.004°
• γ: 90°
• Cell volume: 889.4 ± 0.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• 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: 0.066
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No