Information card for entry 7049133

Structure parameters

• Formula: C52 H40 Cu F6 N4 O4 P
• Calculated formula: C52 H40 Cu F6 N4 O4 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: 13.7555 ± 0.0004 Å
• b: 14.1948 ± 0.0004 Å
• c: 14.2099 ± 0.0006 Å
• α: 100.095 ± 0.0018°
• β: 118.945 ± 0.0011°
• γ: 106.616 ± 0.0014°
• Cell volume: 2157.7 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No