Information card for entry 7708747

Structure parameters

• Formula: C6 N12 O14
• Calculated formula: C6 N12 O14
• Title of publication: 1,2-Bis(5-(trinitromethyl)-1,2,4-oxadiazol-3-yl)diazene: A Water Stable, High-Performing Green Oxidizer
• Authors of publication: Shreeve, Jean'ne M.; Chinnam, Ajay Kumar; Staples, Richard J.
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 5.92194 ± 0.00016 Å
• b: 11.2781 ± 0.0003 Å
• c: 12.7041 ± 0.0004 Å
• α: 106.137 ± 0.002°
• β: 92.992 ± 0.002°
• γ: 92.277 ± 0.002°
• Cell volume: 812.64 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1794
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No