Information card for entry 4065907

Structure parameters

• Formula: C28 H16 F12 Ir N8 P
• Calculated formula: C28 H16 F12 Ir N8 P
• SMILES: [Ir]1234([n]5ccccc5c5[n]1c(ccc5)c1n2nc(c1)C(F)(F)F)[n]1ccccc1c1[n]3c(ccc1)c1n4nc(c1)C(F)(F)F.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Iridium(III) Bis-tridentate Complexes with 6-(5-Trifluoromethylpyrazol-3-yl)-2,2′-bipyridine Chelating Ligands: Synthesis, Characterization, and Photophysical Properties
• Authors of publication: Chen, Jing-Lin; Wu, Yu-Hui; He, Li-Hua; Wen, He-Rui; Liao, Jinsheng; Hong, Ruijin
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 13
• Pages of publication: 2882
• a: 9.538 ± 0.003 Å
• b: 10.937 ± 0.003 Å
• c: 16.426 ± 0.004 Å
• α: 77.22 ± 0.003°
• β: 76.753 ± 0.003°
• γ: 68.676 ± 0.003°
• Cell volume: 1535.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0731
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No