Information card for entry 7708680

Structure parameters

• Formula: C77.1 H68.2 B Cu N2 O1.7 P2
• Calculated formula: C77.1 H68.2 B Cu N2 O1.7 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: 28.7566 ± 0.0008 Å
• b: 14.3706 ± 0.0004 Å
• c: 30.3845 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12556.4 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No