Information card for entry 4346994

Structure parameters

• Formula: C59 H45 Cu F6 N3 O P3
• Calculated formula: C59 H45 Cu F6 N3 O P3
• SMILES: [Cu]12([n]3c(N4C=2N(c2c4cccc2)Cc2ccccc2)ccc2ccccc32)[P](c2ccccc2)(c2ccccc2)c2ccccc2Oc2c([P]1(c1ccccc1)c1ccccc1)cccc2.[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: 11.693 ± 0.007 Å
• b: 14.036 ± 0.009 Å
• c: 17.443 ± 0.011 Å
• α: 92.066 ± 0.009°
• β: 106.261 ± 0.008°
• γ: 109.85 ± 0.008°
• Cell volume: 2558 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No