Information card for entry 7210621

Structure parameters

• Formula: C28 H16 F6 P S4
• Calculated formula: C28 H16 F6 P S4
• SMILES: c12sc3ccccc3c2sc2ccccc12.[P](F)(F)(F)(F)(F)[F-].c1cccc2c1sc1c3ccccc3sc21
• Title of publication: A highly conducting organic metal derived from an organic-transistor material: benzothienobenzothiophene.
• Authors of publication: Kadoya, Tomofumi; Ashizawa, Minoru; Higashino, Toshiki; Kawamoto, Tadashi; Kumeta, Shohei; Matsumoto, Hidetoshi; Mori, Takehiko
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 41
• Pages of publication: 17818 - 17822
• a: 13.407 ± 0.005 Å
• b: 13.407 ± 0.005 Å
• c: 6.638 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1193.2 ± 1.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No