Information card for entry 7234013

Structure parameters

• Formula: C56 H42 B Cu F4 N4 O P2
• Calculated formula: C56 H42 B Cu F4 N4 O P2
• SMILES: [Cu]12([P](c3ccccc3Oc3ccccc3[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1n(c3cccc(n4c5c(cccc5)c5ccccc45)[n]23)ccc1.[B](F)(F)(F)[F-]
• 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: 13.5909 ± 0.0007 Å
• b: 22.0914 ± 0.0009 Å
• c: 15.8659 ± 0.0007 Å
• α: 90°
• β: 92.711 ± 0.003°
• γ: 90°
• Cell volume: 4758.3 ± 0.4 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: 0.0673
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1709
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No