Information card for entry 7238965

Structure parameters

• Formula: C4 H7 N9 O6
• Calculated formula: C4 H7 N9 O6
• Title of publication: High-energy-density materials based on 1-nitramino-2,4-dinitroimidazole
• Authors of publication: Song, Jinhong; Wang, Kai; Liang, Lixuan; Bian, Chengming; Zhou, Zhiming
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 27
• Pages of publication: 10859
• a: 10.71 ± 0.004 Å
• b: 13.065 ± 0.005 Å
• c: 7.573 ± 0.003 Å
• α: 90°
• β: 97.613 ± 0.005°
• γ: 90°
• Cell volume: 1050.3 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0558
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No