Information card for entry 1564469

Structure parameters

• Formula: C32 H25 Cl2 F2 Ir N4 O2
• Calculated formula: C32 H25 Cl2 F2 Ir N4 O2
• SMILES: [Ir]123([n]4n(c5c3cc(F)cc5)cc3ccccc43)([n]3n(cc4c3cccc4)c3c2cc(F)cc3)OC(=CC(=[O]1)C)C.ClCCl
• Title of publication: New yellow-emitting iridium(III) complexes containing 2-phenyl-2H-indazole-based ligands for high efficient OLEDs with EQE over 25%
• Authors of publication: Liu, Zhuo; Yang, Rui-Lian; Yang, Xiao-Han; Cao, Jing-Lan; Fan, Xu-Ru; Wu, Shui-Xing; Niu, Zhi-Gang; Li, Gao-Nan
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 509
• Pages of publication: 119704
• a: 17.6596 ± 0.0006 Å
• b: 15.2619 ± 0.0005 Å
• c: 22.6001 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6091.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1486
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.2219
• Weighted residual factors for all reflections included in the refinement: 0.2548
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No