Information card for entry 4115478

Structure parameters

• Formula: C21 H24 F3 O3 S9
• Calculated formula: C21 H24 F3 O3 S9
• 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: 8.598 ± 0.002 Å
• b: 12.995 ± 0.003 Å
• c: 13.081 ± 0.002 Å
• α: 75.36 ± 0.02°
• β: 87.35 ± 0.02°
• γ: 82.3 ± 0.02°
• Cell volume: 1401.2 ± 0.5 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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: 0.139
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections: 2.697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No