Information card for entry 7239553

Structure parameters

• Chemical name: di(2H-tetrazol-5-yl)methanone oxime DMSO
• Formula: C5 H9 N9 O2 S
• Calculated formula: C5 H9 N9 O2 S
• Title of publication: Di(1H-tetrazol-5-yl)methanone oxime and 5,5′-(hydrazonomethylene)bis(1H-tetrazole) and their salts: a family of highly useful new tetrazoles and energetic materials
• Authors of publication: Chand, Deepak; Parrish, Damon A.; Shreeve, Jean'ne M.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2013
• Journal volume: 1
• Journal issue: 48
• Pages of publication: 15383
• a: 4.3993 ± 0.0009 Å
• b: 10.477 ± 0.002 Å
• c: 12.184 ± 0.003 Å
• α: 68.811 ± 0.003°
• β: 84.903 ± 0.003°
• γ: 89.122 ± 0.003°
• Cell volume: 521.46 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No