Information card for entry 4339154

Structure parameters

• Formula: C35 H20 F5 Ir N6
• Calculated formula: C35 H20 F5 Ir N6
• SMILES: [Ir]123([n]4ccccc4c4n1nc(n4)c1ccc(F)cc1)([n]1ccccc1c1c(F)cc(F)cc21)[n]1ccccc1c1c(F)cc(F)cc31
• Title of publication: Blue-emitting iridium complexes with substituted 1,2,4-triazole ligands: synthesis, photophysics, and devices.
• Authors of publication: Orselli, Enrico; Kottas, Gregg S.; Konradsson, Asgeir E.; Coppo, Paolo; Fröhlich, Roland; de Cola, Luisa; van Dijken, Addy; Büchel, Michael; Börner, Herbert
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 11082 - 11093
• a: 9.5584 ± 0.0001 Å
• b: 14.4182 ± 0.0002 Å
• c: 21.1791 ± 0.0003 Å
• α: 90°
• β: 97.485 ± 0.001°
• γ: 90°
• Cell volume: 2893.92 ± 0.07 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No