Information card for entry 7234718

Structure parameters

• Formula: C52 H49 Cl2 Cu F6 N2 O2.5 P3
• Calculated formula: C52 H49 Cl2 Cu F6 N2 O2.5 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: 10.9607 ± 0.0007 Å
• b: 15.129 ± 0.001 Å
• c: 18.4236 ± 0.0013 Å
• α: 110.648 ± 0.004°
• β: 96.075 ± 0.004°
• γ: 108.716 ± 0.003°
• Cell volume: 2623.7 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections: 0.1894
• Weighted residual factors for significantly intense reflections: 0.186
• Weighted residual factors for all reflections included in the refinement: 0.1894
• Goodness-of-fit parameter for all reflections included in the refinement: 0.6844
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No