Information card for entry 7700455

Structure parameters

• Formula: C12 H20 N20 O6
• Calculated formula: C12 H20 N20 O6
• 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: 3.7719 ± 0.0004 Å
• b: 10.4109 ± 0.001 Å
• c: 14.7027 ± 0.0019 Å
• α: 105.675 ± 0.01°
• β: 95.669 ± 0.009°
• γ: 98.072 ± 0.008°
• Cell volume: 544.69 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.1073
• Weighted residual factors for significantly intense reflections: 0.2296
• Weighted residual factors for all reflections included in the refinement: 0.2572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No