Information card for entry 7700459

Structure parameters

• Formula: C3 H8 N12 O2
• Calculated formula: C3 H8 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: 7.3674 ± 0.0007 Å
• b: 6.5154 ± 0.0006 Å
• c: 20.4844 ± 0.0018 Å
• α: 90°
• β: 98.532 ± 0.002°
• γ: 90°
• Cell volume: 972.4 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No