Information card for entry 7234708

Structure parameters

• Formula: C40 H36 F10 Ir N4 P
• Calculated formula: C40 H36 F10 Ir N4 P
• SMILES: [Ir]123([n]4c(cccc4)c4c2cc(F)cc4F)([n]2c(cccc2)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-]
• 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: 10.4212 ± 0.0016 Å
• b: 15.6794 ± 0.0018 Å
• c: 23.613 ± 0.003 Å
• α: 90°
• β: 100.008 ± 0.004°
• γ: 90°
• Cell volume: 3799.6 ± 0.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No