Information card for entry 7228837

Structure parameters

• Formula: C14 H18 F6 O2 P S8
• Calculated formula: C14 H18 F6 O2 P S8
• Title of publication: New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF
• Authors of publication: Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 7.8564 ± 0.0018 Å
• b: 21.389 ± 0.005 Å
• c: 27.036 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4543.1 ± 1.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No