Information card for entry 7236118

Structure parameters

• Chemical name: bis(3,4,5-trifluorophenoxy) silicon phthalocyanine
• Formula: C44 H20 F6 N8 O2 Si
• Calculated formula: C44 H20 F6 N8 O2 Si
• Title of publication: The position and frequency of fluorine atoms changes the electron donor/acceptor properties of fluorophenoxy silicon phthalocyanines within organic photovoltaic devices
• Authors of publication: Lessard, Benoît H.; Grant, Trevor M.; White, Robin; Thibau, Emmanuel; Lu, Zheng-Hong; Bender, Timothy P.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 48
• Pages of publication: 24512
• a: 10.2098 ± 0.0006 Å
• b: 17.6974 ± 0.0013 Å
• c: 10.7963 ± 0.0007 Å
• α: 90°
• β: 117.669 ± 0.003°
• γ: 90°
• Cell volume: 1727.7 ± 0.2 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No