Information card for entry 4346993

Structure parameters

• Formula: C51 H41 Cu F6 N3 O P3
• Calculated formula: C51 H41 Cu F6 N3 O P3
• SMILES: [Cu]12([n]3c(N4C=2N(C=C4)Cc2ccccc2)cccc3)[P](c2ccccc2)(c2ccccc2Oc2ccccc2[P]1(c1ccccc1)c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, Structure, and Photophysical Properties of Two Four-Coordinate Cu(I)-NHC Complexes with Efficient Delayed Fluorescence.
• Authors of publication: Wang, Zhiqiang; Zheng, Caijun; Wang, Weizhou; Xu, Chen; Ji, Baoming; Zhang, Xiaohong
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 2157 - 2164
• a: 13.641 ± 0.004 Å
• b: 18.541 ± 0.005 Å
• c: 19.146 ± 0.005 Å
• α: 90°
• β: 99.522 ± 0.003°
• γ: 90°
• Cell volume: 4776 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.1505
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1799
• Weighted residual factors for all reflections included in the refinement: 0.2333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No