Information card for entry 4348776

Structure parameters

• Formula: C42 H38 F12 Ir N4 P
• Calculated formula: C42 H38 F12 Ir N4 P
• SMILES: [Ir]123([n]4c(cccc4)c4c2cc(cc4)C(F)(F)F)([n]2c(cccc2)c2c3cc(cc2)C(F)(F)F)[n]2c(cc(cc2)C(C)(C)C)c2[n]1ccc(c2)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, Properties, and Light-Emitting Electrochemical Cell (LEEC) Device Fabrication of Cationic Ir(III) Complexes Bearing Electron-Withdrawing Groups on the Cyclometallating Ligands.
• Authors of publication: Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Momblona, Cristina; Ortı, Enrique; Samuel, Ifor D. W.; Bolink, Henk J.; Zysman-Colman, Eli
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 10361 - 10376
• a: 12.0119 ± 0.0017 Å
• b: 13.0891 ± 0.0017 Å
• c: 14.124 ± 0.002 Å
• α: 87.159 ± 0.006°
• β: 87.303 ± 0.007°
• γ: 75.886 ± 0.006°
• Cell volume: 2149.6 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0865
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.2172
• Weighted residual factors for all reflections included in the refinement: 0.2334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No