Information card for entry 4127732

Structure parameters

• Formula: C45 H27 F6 N4 O2 Rh
• Calculated formula: C45 H27 F6 N4 O2 Rh
• SMILES: [Rh]123(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([n]1c(c4c2cccc4)c(nc2c1cccc2)c1ccccc1)[n]1c(c2c3cccc2)c(nc2c1cccc2)c1ccccc1
• Title of publication: Ligand Mediated Luminescence Enhancement in Cyclometalated Rhodium(III) Complexes and Their Applications in Efficient Organic Light-Emitting Devices.
• Authors of publication: Wei, Fangfang; Lai, Shiu-Lun; Zhao, Shunan; Ng, Maggie; Chan, Mei-Yee; Yam, Vivian Wing-Wah; Wong, Keith Man-Chung
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 32
• Pages of publication: 12863 - 12871
• a: 12.446 ± 0.0006 Å
• b: 13.6369 ± 0.0006 Å
• c: 13.8155 ± 0.0007 Å
• α: 66.3865 ± 0.0012°
• β: 67.2318 ± 0.0013°
• γ: 63.2273 ± 0.0012°
• Cell volume: 1856.02 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No