Information card for entry 7240848

Structure parameters

• Formula: C14 H10 F6 P S6
• Calculated formula: C14 H10 F6 P S6
• Title of publication: Two-dimensional radical-cationic Mott insulator based on an electron donor containing neither tetrathiafulvalene nor tetrathiapentalene skeleton
• Authors of publication: Kadoya, Tomofumi; Sugiura, Shiori; Tahara, Keishiro; Higashino, Toshiki; Kubo, Kazuya; Sasaki, Takahiko; Takimiya, Kazuo; Yamada, Jun-ichi
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 36.971 ± 0.015 Å
• b: 4.3814 ± 0.0015 Å
• c: 11.483 ± 0.005 Å
• α: 90°
• β: 106.352 ± 0.005°
• γ: 90°
• Cell volume: 1784.8 ± 1.2 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.1069
• Weighted residual factors for significantly intense reflections: 0.324
• Weighted residual factors for all reflections included in the refinement: 0.3406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.615
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No