Information card for entry 7047347

Structure parameters

• Formula: C4 H16 N12 O7
• Calculated formula: C4 H16 N12 O7
• Title of publication: Amino-nitramino functionalized triazolotriazines: a good balance between high energy and low sensitivity.
• Authors of publication: Ma, Jinchao; Cheng, Guangbin; Ju, Xuehai; Yi, Zhenxin; Zhu, Shunguan; Zhang, Zaichao; Yang, Hongwei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 41
• Pages of publication: 14483 - 14490
• a: 8.8384 ± 0.0009 Å
• b: 20.599 ± 0.002 Å
• c: 7.5457 ± 0.0008 Å
• α: 90°
• β: 90.749 ± 0.004°
• γ: 90°
• Cell volume: 1373.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1104
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No