Information card for entry 7220157

Structure parameters

• Common name: F5PhO-AlPc
• Chemical name: (pentafluoro phenoxy)(phthalocyaninato)aluminum
• Formula: C45 H28 Al F5 N8 O
• Calculated formula: C45 H28 Al F5 N8 O
• Title of publication: Axially Phenoxylated Aluminum Phthalocyanines and Their Application in Organic Photovoltaic Cells.
• Authors of publication: Raboui, Hasan; AL-Amr, Mohammad; Abdelrahman, Ahmed; Bender, Timothy Paul
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.3131 ± 0.0006 Å
• b: 14.4067 ± 0.0007 Å
• c: 24.7771 ± 0.0011 Å
• α: 90°
• β: 99.572 ± 0.004°
• γ: 90°
• Cell volume: 3630.1 ± 0.3 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1402
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.2248
• Weighted residual factors for all reflections included in the refinement: 0.266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No