Information card for entry 4347910

Structure parameters

• Formula: C65.5 H54 B Cl Cu F4 N4 O1.5 P2
• Calculated formula: C65.5 H54 B Cl Cu F4 N4 O1.5 P2
• SMILES: [Cu]12([P](c3ccccc3)(c3c(Oc4c([P]1(c1ccccc1)c1ccccc1)cccc4)cccc3)c1ccccc1)[n]1n(c3[n]2cc(N2c4c(cccc4)C(c4c2cccc4)(C)C)cc3)ccc1c1ccccc1.ClCCl.[B](F)(F)(F)[F-].O
• Title of publication: Highly Efficient Cuprous Complexes with Thermally Activated Delayed Fluorescence for Solution-Processed Organic Light-Emitting Devices.
• Authors of publication: Liang, Dong; Chen, Xu-Lin; Liao, Jian-Zhen; Hu, Jin-Yu; Jia, Ji-Hui; Lu, Can-Zhong
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 15
• Pages of publication: 7467 - 7475
• a: 13.2087 ± 0.0003 Å
• b: 20.7679 ± 0.0006 Å
• c: 20.2938 ± 0.0005 Å
• α: 90°
• β: 94.776 ± 0.002°
• γ: 90°
• Cell volume: 5547.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No