Information card for entry 7703157

Structure parameters

• Formula: C5 H16.44 N19 O6.72
• Calculated formula: C5 H16.444 N19 O6.722
• Title of publication: A facile synthesis of energetic salts based on fully nitroamino-functionalized [1,2,4]triazolo[4,3-b][1,2,4]triazole.
• Authors of publication: Bian, Chengming; Feng, Wenjing; Lei, Qunying; Huang, Haifeng; Li, Xia; Wang, Jianlong; Li, Chuan; Xiao, Zhongliang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 368 - 374
• a: 7.3254 ± 0.0007 Å
• b: 12.5221 ± 0.0013 Å
• c: 19.344 ± 0.0019 Å
• α: 90°
• β: 100.786 ± 0.004°
• γ: 90°
• Cell volume: 1743.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0799
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No