Information card for entry 7237647

Structure parameters

• Formula: C3 H7 N13
• Calculated formula: C3 H7 N13
• Title of publication: A series of energetic cyclo-pentazolate salts: rapid synthesis, characterization, and promising performance
• Authors of publication: Xu, Yuangang; Tian, Lili; Li, Dongxue; Wang, Pengcheng; Lu, Ming
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 20
• Pages of publication: 12468
• a: 8.083 ± 0.003 Å
• b: 7.141 ± 0.002 Å
• c: 16.094 ± 0.005 Å
• α: 90°
• β: 101.864 ± 0.007°
• γ: 90°
• Cell volume: 909.1 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• 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: 0.1047
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No