Information card for entry 7234710

Structure parameters

• Formula: C58 H54 F10 Ir N6 O P
• Calculated formula: C58 H54 F10 Ir N6 O P
• SMILES: [Ir]123([n]4c(cc(cc4)c4c(cc(cc4C)C)C)c4c2cc(F)cc4F)([n]2c(cc(cc2)c2c(cc(cc2C)C)C)c2c3cc(F)cc2F)[n]2c3n(cc2)Cc2c(cccc2)Cn2c3[n]1cc2.[P](F)(F)(F)(F)(F)[F-].O(CC)CC
• Title of publication: Solubilised bright blue-emitting iridium complexes for solution processed OLEDs
• Authors of publication: Adam F. Henwood; Ashu K. Bansal; David B. Cordes; Alexandra M. Z. Slawin; Ifor D. W. Samuel; Eli Zysman-Colman
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 3726 - 3737
• a: 45.7191 ± 0.001 Å
• b: 9.4584 ± 0.0017 Å
• c: 33.211 ± 0.007 Å
• α: 90°
• β: 125.688 ± 0.003°
• γ: 90°
• Cell volume: 11664 ± 3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1173
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1992
• Weighted residual factors for all reflections included in the refinement: 0.2938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No