Information card for entry 4347911

Structure parameters

• Formula: C68 H56 B Cu F4 N4 O P2
• Calculated formula: C68 H56 B Cu F4 N4 O P2
• SMILES: [Cu]12([P](c3cccc4C(c5cccc([P]1(c1ccccc1)c1ccccc1)c5Oc34)(C)C)(c1ccccc1)c1ccccc1)[n]1n(ccc1c1ccccc1)c1[n]2cc(N2c3ccccc3C(C)(C)c3ccccc23)cc1.[B](F)(F)(F)[F-]
• 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: 10.6932 ± 0.0002 Å
• b: 17.2639 ± 0.0003 Å
• c: 30.7265 ± 0.0005 Å
• α: 90°
• β: 96.846 ± 0.001°
• γ: 90°
• Cell volume: 5631.86 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0494
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No