Information card for entry 7708683

Structure parameters

• Formula: C55 H54 B Cl2 Cu F4 N2 O2 P2
• Calculated formula: C50 H42 B Cu F4 N2 O P2
• Title of publication: A counterion study of a series of [Cu(P^P)(N^N)][A] compounds with bis(phosphane) and 6-methyl and 6,6'-dimethyl-substituted 2,2'-bipyridine ligands for light-emitting electrochemical cells
• Authors of publication: Meyer, Marco; Mardegan, Lorenzo; Tordera, Daniel; Prescimone, Alessandro; Sessolo, Michele; Bolink, Henk J.; Constable, Edwin C.; Housecroft, Catherine E.
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 10.832 ± 0.0005 Å
• b: 14.9163 ± 0.0006 Å
• c: 18.2441 ± 0.0008 Å
• α: 109.737 ± 0.0015°
• β: 93.2992 ± 0.0017°
• γ: 110.685 ± 0.0016°
• Cell volume: 2542.8 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0645
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No