Information card for entry 4032050

Structure parameters

• Formula: C97 H58 Cl2 F4 N6 Zn
• Calculated formula: C97 H58 Cl2 F4 N6 Zn
• Title of publication: Synthesis and characterization of fluorinated azadipyrromethene complexes as acceptors for organic photovoltaics.
• Authors of publication: Etheridge, Forrest S.; Fernando, Roshan J.; Pejić, Sandra; Zeller, Matthias; Sauvé, Geneviève
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2016
• Journal volume: 12
• Pages of publication: 1925 - 1938
• a: 21.926 ± 0.002 Å
• b: 17.636 ± 0.002 Å
• c: 18.914 ± 0.002 Å
• α: 90°
• β: 93.67 ± 0.003°
• γ: 90°
• Cell volume: 7298.8 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0487
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No