Information card for entry 7234717

Structure parameters

• Formula: C56 H50 Cu F6 N2 O2 P3
• Calculated formula: C56 H50 Cu F6 N2 O2 P3
• SMILES: c1(ccccc1)[P]1(c2ccccc2)c2ccccc2Oc2ccccc2[P](c2ccccc2)(c2ccccc2)[Cu]21[n]1ccccc1c1cccc(c3ccccc3)[n]21.CCOCC.[P](F)(F)(F)(F)(F)[F-]
• 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: 11.7097 ± 0.0007 Å
• b: 14.094 ± 0.0008 Å
• c: 16.9221 ± 0.001 Å
• α: 110.418 ± 0.002°
• β: 105.114 ± 0.002°
• γ: 96.608 ± 0.002°
• Cell volume: 2460.4 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0425
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections: 0.1095
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No