Information card for entry 7234709

Structure parameters

• Formula: C64 H70 F10 Ir N4 O P
• Calculated formula: C64 H70 F10 Ir N4 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]2c(cc(cc2)C(C)(C)C)c2[n]1ccc(c2)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-].O(C(C)C)C(C)C
• 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: 11.239 ± 0.004 Å
• b: 16.275 ± 0.005 Å
• c: 20.538 ± 0.006 Å
• α: 112.85 ± 0.02°
• β: 94.28 ± 0.02°
• γ: 98.581 ± 0.018°
• Cell volume: 3387 ± 2 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: 0.1239
• Residual factor for significantly intense reflections: 0.106
• Weighted residual factors for significantly intense reflections: 0.2923
• Weighted residual factors for all reflections included in the refinement: 0.3111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No