Information card for entry 7237418

Structure parameters

• Formula: C58 H50 Cl6 Cu F6 N2 O2 P3
• Calculated formula: C58 H50 Cl6 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: 13.3823 ± 0.0008 Å
• b: 14.0597 ± 0.0008 Å
• c: 17.5669 ± 0.001 Å
• α: 103.548 ± 0.003°
• β: 112.186 ± 0.003°
• γ: 98.856 ± 0.003°
• Cell volume: 2865.4 ± 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: 0.0771
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections: 0.1855
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.1855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0491
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No