Information card for entry 7246214

Structure parameters

• Chemical name: PAA F4TCNQ
• Formula: C70 H56 F2 N6 Si4
• Calculated formula: C70 H56 F2 N6 Si4
• Title of publication: Organic binary charge-transfer compounds of 2,2′ : 6′,2′′ : 6′′,6-trioxotriphenylamine and a pyrene-annulated azaacene as donors
• Authors of publication: Das, Rajorshi; Linseis, Michael; Schupp, Stefan M.; Gogesch, Franciska S.; Schmidt-Mende, Lukas; Winter, Rainer F.
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 3652 - 3660
• a: 26.921 ± 0.004 Å
• b: 19.255 ± 0.002 Å
• c: 25.544 ± 0.003 Å
• α: 90°
• β: 101.364 ± 0.012°
• γ: 90°
• Cell volume: 12981 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1707
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.2267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No