Information card for entry 7239554

Structure parameters

• Chemical name: 5,5'-(hydrazonomethylene)bis(1H-tetrazole) hydrate
• Formula: C3 H6 N10 O
• Calculated formula: C3 H6 N10 O
• 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: 4.7217 ± 0.0004 Å
• b: 16.4748 ± 0.0014 Å
• c: 10.3658 ± 0.0009 Å
• α: 90°
• β: 101.975 ± 0.002°
• γ: 90°
• Cell volume: 788.8 ± 0.12 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No