Information card for entry 7047334

Structure parameters

• Formula: C7 H10 N14 O16
• Calculated formula: C7 H10 N14 O16
• Title of publication: N,N'-Methylenebis(N-(1,2,5-oxadiazol-3-yl)nitramide) derivatives as metal-free green primary explosives.
• Authors of publication: Yu, Qiong; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 36
• Pages of publication: 12661 - 12666
• a: 11.8644 ± 0.001 Å
• b: 8.0617 ± 0.0007 Å
• c: 19.9991 ± 0.0016 Å
• α: 90°
• β: 98.308 ± 0.001°
• γ: 90°
• Cell volume: 1892.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No