Information card for entry 7237541

Structure parameters

• Formula: C28 H12 F2 N4 S4
• Calculated formula: C28 H12 F2 N4 S4
• Title of publication: Asymmetrical hole/electron transport in donor‒acceptor mixed-stack cocrystals
• Authors of publication: Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 3
• Pages of publication: 567
• a: 7.9104 ± 0.0005 Å
• b: 8.8995 ± 0.0006 Å
• c: 10.3989 ± 0.0007 Å
• α: 109.866 ± 0.003°
• β: 109.641 ± 0.003°
• γ: 97.879 ± 0.004°
• Cell volume: 621.8 ± 0.08 ų
• Cell temperature: 270 K
• Ambient diffraction temperature: 270 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: 0.1284
• Residual factor for significantly intense reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.2908
• Weighted residual factors for all reflections included in the refinement: 0.3315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No