Information card for entry 4347726

Structure parameters

• Formula: C26 H22 F6 Ir N4 P
• Calculated formula: C26 H22 F6 Ir N4 P
• SMILES: [Ir]12([N]#CC)(c3ccccc3c3[n]1cccc3)([N]#CC)[n]1ccccc1c1c2cccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Asymmetric Synthesis of Enantiomerically Pure Mono- and Binuclear Bis(cyclometalated) Iridium(III) Complexes.
• Authors of publication: Yao, Su-Yang; Ou, Yan-Ling; Ye, Bao-Hui
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 6018 - 6026
• a: 8.92212 ± 0.00013 Å
• b: 8.92212 ± 0.00013 Å
• c: 32.0341 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2550.05 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No