Information card for entry 4127731

Structure parameters

• Formula: C56 H39 Cl2 N4 O2 Rh
• Calculated formula: C56 H39 Cl2 N4 O2 Rh
• SMILES: [Rh]123(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)([n]1c(c4ccccc34)c(nc3ccccc13)c1ccccc1)[n]1c(c3ccccc23)c(nc2c1cccc2)c1ccccc1.ClCCl
• 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: 11.3021 ± 0.0012 Å
• b: 11.433 ± 0.0012 Å
• c: 19.651 ± 0.002 Å
• α: 85.111 ± 0.003°
• β: 77.907 ± 0.003°
• γ: 62.019 ± 0.003°
• Cell volume: 2192.4 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.033
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No