Information card for entry 4324248

Structure parameters

• Chemical name: 1,3-dimethyl-1H-imidazol-3-ium dinitromethanide, 8
• Formula: C6 H10 N4 O4
• Calculated formula: C6 H10 N4 O4
• SMILES: n1(c[n+](cc1)C)C.C(N(=O)=O)=N([O-])=O
• Title of publication: Liquid Dinitromethanide Salts
• Authors of publication: Ling He; Guo-Hong Tao; Damon A. Parrish; Jean'ne M. Shreeve
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 679 - 685
• a: 7.1402 ± 0.0019 Å
• b: 9.376 ± 0.003 Å
• c: 13.793 ± 0.004 Å
• α: 103.759 ± 0.004°
• β: 90.757 ± 0.004°
• γ: 96.874 ± 0.004°
• Cell volume: 889.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0431
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0944
• 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