Information card for entry 4334596

Structure parameters

• Formula: C50 H32 F12 Ir N3 O2 P2
• Calculated formula: C50 H32 F12 Ir N3 O2 P2
• SMILES: [Ir]123([O]=P(N=P(O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([n]1ccccc1c1c3c(cc(c1)C(F)(F)F)C(F)(F)F)[n]1c(c3c2c(cc(c3)C(F)(F)F)C(F)(F)F)cccc1
• Title of publication: Syntheses, Photoluminescence, and Electroluminescence of a Series of Iridium Complexes with Trifluoromethyl-Substituted 2-Phenylpyridine as the Main Ligands and Tetraphenylimidodiphosphinate as the Ancillary Ligand
• Authors of publication: Qiu-Lei Xu; Cheng-Cheng Wang; Tian-Yi Li; Ming-Yu Teng; Song Zhang; Yi-Ming Jing; Xu Yang; Wei-Nan Li; Chen Lin; You-Xuan Zheng; Jing-Lin Zuo; Xiao-Zeng You
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4916 - 4925
• a: 10.7141 ± 0.0003 Å
• b: 11.7373 ± 0.0004 Å
• c: 18.7457 ± 0.0006 Å
• α: 79.904 ± 0.001°
• β: 84.43 ± 0.001°
• γ: 87.982 ± 0.001°
• Cell volume: 2309.5 ± 0.13 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: 0.0571
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No