Information card for entry 2312521

Structure parameters

• Common name: Ethylene bis(triflate)
• Chemical name: Ethane-1,2-diyl bis(trifluoromethanesulfonate)
• Formula: C4 H4 F6 O6 S2
• Calculated formula: C4 H4 F6 O6 S2
• Title of publication: Crystal structure elucidation of a geminal and vicinal bis(trifluoromethanesulfonate) ester.
• Authors of publication: Pickl, Thomas; Zuber, Julian; Stephan, Johannes; Pöthig, Alexander
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 7
• a: 10.036 ± 0.004 Å
• b: 10.664 ± 0.003 Å
• c: 11.276 ± 0.004 Å
• α: 83.54 ± 0.009°
• β: 64.178 ± 0.009°
• γ: 89.593 ± 0.009°
• Cell volume: 1078.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0941
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No