Information card for entry 7237538

Structure parameters

• Formula: C24 H12 N4 S3
• Calculated formula: C24 H12 N4 S3
• 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: 10.97 ± 0.005 Å
• b: 12.704 ± 0.004 Å
• c: 7.754 ± 0.003 Å
• α: 90°
• β: 101.29 ± 0.03°
• γ: 90°
• Cell volume: 1059.7 ± 0.7 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No