Information card for entry 7708685

Structure parameters

• Formula: C83 H56 B Cu F24 N2 O P2
• Calculated formula: C83 H56 B Cu F24 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: 10.7126 ± 0.0002 Å
• b: 18.8554 ± 0.0004 Å
• c: 19.4247 ± 0.0004 Å
• α: 79.464 ± 0.001°
• β: 89.642 ± 0.002°
• γ: 74.759 ± 0.001°
• Cell volume: 3718.16 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0693
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No