Information card for entry 7054478

Structure parameters

• Common name: 3,4-Bis(chloroximidoyl)furazane
• Chemical name: 3,4-Bis(chloroximidoyl)furazane
• Formula: C4 H2 Cl2 N4 O3
• Calculated formula: C4 H2 Cl2 N4 O3
• SMILES: ClC(=N\O)/c1nonc1C(=N\O)\Cl
• Title of publication: Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles
• Authors of publication: Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 3
• Pages of publication: 1619
• a: 8.2678 ± 0.0006 Å
• b: 11.2186 ± 0.0007 Å
• c: 8.5693 ± 0.0005 Å
• α: 90°
• β: 99.912 ± 0.006°
• γ: 90°
• Cell volume: 782.97 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0372
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No