Information card for entry 7237415

Structure parameters

• Formula: C55.5 H45 Cl Cu F6 N2 O P3 S
• Calculated formula: C55 H44 Cu F6 N2 O P3 S
• Title of publication: [Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells
• Authors of publication: Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 31
• Pages of publication: 8460
• a: 10.9025 ± 0.0007 Å
• b: 13.2292 ± 0.0009 Å
• c: 17.8354 ± 0.0012 Å
• α: 80.615 ± 0.003°
• β: 84.731 ± 0.003°
• γ: 83.868 ± 0.003°
• Cell volume: 2516.2 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.1258
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0152
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No