Information card for entry 8107167

Structure parameters

• Formula: C8 H6 N8 O8
• Calculated formula: C8 H6 N8 O8
• Title of publication: Crystal structure of 1,2-bis(4,5-dinitro-1H-imidazol-1-yl)ethane, C8H6N8O8
• Authors of publication: Yong, Wang; Bingheng, Wu; Jun, Yuan; Duanlin, Cao; Jianlong, Wang; Lizhen, Chen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 611 - 612
• a: 6.7563 ± 0.0009 Å
• b: 7.2512 ± 0.0012 Å
• c: 25.884 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1268.1 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No