Information card for entry 7234012

Structure parameters

• Formula: C58 H49 B Cu F4 N4 O0.5 P2
• Calculated formula: C58 H49 B Cu F4 N4 O0.5 P2
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2c(cccc2n2c3ccccc3c3ccccc23)n2[n]1ccc2.[B](F)(F)(F)[F-].O(CC)CC
• Title of publication: Highly efficient cuprous complexes with thermally activated delayed fluorescence and simplified solution process OLEDs using the ligand as host
• Authors of publication: Xu-Lin Chen; Chen-Sheng Lin; Xiao-Yuan Wu; Rongming Yu; Teng Teng; Qi-Kai Zhang; Qing Zhang; Wen-Bing Yang; Can-Zhong Lu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 1187 - 1195
• a: 26.6146 ± 0.0008 Å
• b: 14.2867 ± 0.0003 Å
• c: 27.576 ± 0.0007 Å
• α: 90°
• β: 99.038 ± 0.003°
• γ: 90°
• Cell volume: 10355.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0757
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.2007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No