Information card for entry 4516523

Structure parameters

• Common name: Coronene F4TCNQ acetonitrile
• Formula: C38 H15 F4 N5
• Calculated formula: C38 H15 F4 N5
• Title of publication: Crystal Growth, Dynamic and Charge Transfer Properties of New Coronene Charge Transfer Complexes
• Authors of publication: Kataeva, Olga; Khrizanforov, Mikhail; Budnikova, Yulia; Islamov, Daut; Burganov, Timur; Vandyukov, Alexander; Lyssenko, Konstantin; Mahns, Benjamin; Nohr, Markus; Hampel, Silke; Knupfer, Martin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 331
• a: 21.6173 ± 0.0006 Å
• b: 6.9678 ± 0.0002 Å
• c: 18.3594 ± 0.0005 Å
• α: 90°
• β: 104.494 ± 0.003°
• γ: 90°
• Cell volume: 2677.37 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0441
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No