Information card for entry 7700456

Structure parameters

• Formula: C4 H6 N12 O2
• Calculated formula: C4 H6 N12 O2
• Title of publication: Novel strategies for synthesizing energetic materials based on BTO with improved performances.
• Authors of publication: Zhang, Jinhao; Jin, Bo; Peng, Rufang; Niu, Chunhuan; Xiao, Lipengcheng; Guo, Zhicheng; Zhang, Qingchun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 31
• Pages of publication: 11848 - 11854
• a: 3.7991 ± 0.0001 Å
• b: 12.3968 ± 0.0004 Å
• c: 19.5608 ± 0.0006 Å
• α: 90°
• β: 90.308 ± 0.003°
• γ: 90°
• Cell volume: 921.24 ± 0.05 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0487
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No