Information card for entry 7708682

Structure parameters

• Formula: C48.7 H41.7 Cl Cu F6 N2 O1.3 P3
• Calculated formula: C48.7 H42 Cl Cu F6 N2 O1.3 P3
• 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: 9.7279 ± 0.0009 Å
• b: 16.4029 ± 0.0015 Å
• c: 29.365 ± 0.003 Å
• α: 90°
• β: 96.379 ± 0.002°
• γ: 90°
• Cell volume: 4656.6 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No