Information card for entry 7234719

Structure parameters

• Formula: C55 H44 Cu F6 N2 O P3
• Calculated formula: C55 H44 Cu F6 N2 O P3
• Title of publication: Shine bright or live long: substituent effects in [Cu(N/Ν)(P/Π)]±based light-emitting electrochemical cells where N/Ν is a 6-substituted 2,2'-bipyridine
• Authors of publication: Sarah Keller; Antonio Pertegas; Giulia Longo; Laura Martinez; Jesus Cerda; Jose M. Junquera-Hernandez; Alessandro Prescimone; Edwin C. Constable; Catherine E. Housecroft; Enrique Orti; Henk J. Bolink
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 3857 - 3871
• a: 10.1842 ± 0.0007 Å
• b: 29.746 ± 0.002 Å
• c: 16.163 ± 0.0012 Å
• α: 90°
• β: 98.762 ± 0.003°
• γ: 90°
• Cell volume: 4839.3 ± 0.6 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections: 0.1159
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0005
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No