Information card for entry 4115479

Structure parameters

• Formula: C14 H10 F6 O7 S10
• Calculated formula: C14 H8 F6 O7 S10
• Title of publication: Oxidation of TTF Derivatives Using (Diacetoxyiodo)benzene: a General Chemical Route toward Cation Radicals, Dications, and Nonstoichiometric Salts
• Authors of publication: Michel Giffard; Gilles Mabon; Emmanuel Leclair; Nicolas Mercier; Magali Allain; Alain Gorgues; Philippe Molinié; Ojars Neilands; Pnina Krief; Vladimir Khodorkovsky
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 3852 - 3853
• a: 21.53 ± 0.007 Å
• b: 7.9538 ± 0.0009 Å
• c: 15.846 ± 0.006 Å
• α: 90°
• β: 72.79 ± 0.04°
• γ: 90°
• Cell volume: 2592.1 ± 1.4 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• 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: 0.183
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.223
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections: 4.48
• Goodness-of-fit parameter for all reflections included in the refinement: 1.254
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No