Information card for entry 7049135

Structure parameters

• Formula: C86 H67 Cu F6 N5 P
• Calculated formula: C86 H67 Cu F6 N5 P
• Title of publication: Synthesis and characterisation of homoleptic 2,9-diaryl-1,10-phenanthroline copper(i) complexes: influencing selectivity in photoredox-catalysed atom-transfer radical addition reactions.
• Authors of publication: Nicholls, Thomas P.; Caporale, Chiara; Massi, Massimiliano; Gardiner, Michael G.; Bissember, Alex C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 21
• Pages of publication: 7290 - 7301
• a: 24.792 ± 0.003 Å
• b: 18.9 ± 0.002 Å
• c: 15.4325 ± 0.0013 Å
• α: 90°
• β: 108.117 ± 0.008°
• γ: 90°
• Cell volume: 6872.7 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0672
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No