Information card for entry 7237409

Structure parameters

• Formula: C48 H40 Cu F6 N2 O2 P3
• Calculated formula: C48 H40 Cu F6 N2 O2 P3
• 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: 16.3593 ± 0.001 Å
• b: 20.1565 ± 0.0012 Å
• c: 26.5917 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8768.5 ± 0.9 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections: 0.0991
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9818
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No