Information card for entry 7102805

Structure parameters

• Common name: (BEDT-TTF-bis(sulfoxide))(TCNQF4)
• Formula: C22 H8 F4 N4 O2 S8
• Calculated formula: C22 H8 F4 N4 O2 S8
• Title of publication: Chemo- and enantioselective sulfoxidation of bis(ethylenedithio)-tetrathiafulvalene (BEDT-TTF) into chiral BEDT-TTF-sulfoxide
• Authors of publication: Chas, Marcos; Lemarié, Margareth; Gulea, Mihaela; Avarvari, Narcis
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 2
• Pages of publication: 220 - 222
• a: 26.776 ± 0.004 Å
• b: 9.89 ± 0.003 Å
• c: 10.644 ± 0.005 Å
• α: 90°
• β: 110.44 ± 0.03°
• γ: 90°
• Cell volume: 2641.2 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No