Information card for entry 7118284

Structure parameters

• Common name: 1,1,2,2-Tetranitratoethane
• Chemical name: 1,1,2,2-Tetranitratoethane
• Formula: C2 H2 N4 O12
• Calculated formula: C2 H2 N4 O12
• SMILES: C(ON(=O)=O)(C(ON(=O)=O)ON(=O)=O)ON(=O)=O
• Title of publication: Tetranitratoethane.
• Authors of publication: Fischer, Dennis; Klapötke, Thomas M; Stierstorfer, Jörg
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 916 - 918
• a: 7.5489 ± 0.0004 Å
• b: 7.2995 ± 0.0003 Å
• c: 8.3759 ± 0.0008 Å
• α: 90°
• β: 97.935 ± 0.006°
• γ: 90°
• Cell volume: 457.12 ± 0.05 ų
• Cell temperature: 173.05 ± 0.1 K
• Ambient diffraction temperature: 173 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: 0.0395
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No