Information card for entry 7104404

Structure parameters

• Common name: 1,4-dimethyl-tetrazol-5-iminium 2-nitro-1-(tetrazol-5- yl)guanidide
• Chemical name: 1,4-dimethyl-tetrazol-5-iminium 2-nitro-1-(tetrazol-5-yl)guanidide
• Formula: C5 H11 N13 O2
• Calculated formula: C5 H11 N13 O2
• SMILES: c1([n-]nnn1)NC(=N\N(=O)=O)\N.Nc1n(C)nn[n+]1C
• Title of publication: Nitrogen-rich nitroguanidyl-functionalized tetrazolate energetic salts.
• Authors of publication: Wang, Ruihu; Guo, Yong; Zeng, Zhuo; Shreeve, Jean'ne M
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 19
• Pages of publication: 2697 - 2699
• a: 7.5851 ± 0.0004 Å
• b: 7.834 ± 0.0004 Å
• c: 10.1061 ± 0.0005 Å
• α: 92.953 ± 0.002°
• β: 98.725 ± 0.002°
• γ: 98.728 ± 0.002°
• Cell volume: 584.99 ± 0.05 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No