Information card for entry 7042705

Structure parameters

• Formula: C58 H51 Cu F6 N5 O4 P
• Calculated formula: C58 H51 Cu F6 N5 O4 P
• Title of publication: Synthesis, structural characterization, photophysical properties, DFT and TDDFT calculations, and photoredox catalysis studies of 2,9-di(aryl)-1,10-phenanthroline copper (I) complexes
• Authors of publication: Cetin, Muhammet Mustafa; Hodson, Roman T.; Hart, C. Robin; Cordes, David Bradford; Findlater, Michael; Casadonte, Dominick J.; Cozzolino, Anthony Frank; Mayer, Michael Frederick
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.3697 ± 0.0016 Å
• b: 32.873 ± 0.006 Å
• c: 18.214 ± 0.003 Å
• α: 90°
• β: 93.458 ± 0.003°
• γ: 90°
• Cell volume: 5002.2 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1174
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No