Information card for entry 4349002

Structure parameters

• Formula: C84 H80 F10 Ir N2 O3 P3
• Calculated formula: C84 H80 F10 Ir N2 O3 P3
• SMILES: [Ir]123([P](c4c(Oc5c([P]1(c1ccccc1)c1ccccc1)cccc5)cccc4)(c1ccccc1)c1ccccc1)([n]1c(cc(cc1)c1c(cc(cc1C)C)C)c1c2cc(F)cc1F)[n]1c(cc(cc1)c1c(cc(cc1C)C)C)c1c3cc(F)cc1F.[P](F)(F)(F)(F)(F)[F-].O(CC)CC.O(CC)CC
• Title of publication: Enhancing the photoluminescence quantum yields of blue-emitting cationic iridium(iii) complexes bearing bisphosphine ligands
• Authors of publication: Rota Martir, Diego; Bansal, Ashu K.; Di Mascio, Vincent; Cordes, David B.; Henwood, Adam F.; Slawin, Alexandra M. Z.; Kamer, Paul C. J.; Martínez-Sarti, Laura; Pertegás, Antonio; Bolink, Henk J.; Samuel, Ifor D. W.; Zysman-Colman, Eli
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 218
• a: 12.685 ± 0.003 Å
• b: 15.072 ± 0.004 Å
• c: 19.068 ± 0.005 Å
• α: 84.215 ± 0.007°
• β: 85.755 ± 0.008°
• γ: 89.94 ± 0.006°
• Cell volume: 3617 ± 1.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.1271
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No