Information card for entry 7202145

Structure parameters

• Formula: C39 H24 F9 Ir N6 O
• Calculated formula: C39 H24 F9 Ir N6 O
• SMILES: [Ir]123([n]4ccccc4c4n1nnc4c1c(F)c(F)c(F)c(F)c1F)([n]1ccccc1c1c(F)cc(F)cc21)[n]1ccccc1c1c(F)cc(F)cc31.O1CCCC1
• Title of publication: 1,2,3-Triazolyl-pyridine derivatives as chelating ligands for blue iridium(iii) complexes. Photophysics and electroluminescent devices
• Authors of publication: Orselli, Enrico; Albuquerque, Rodrigo Q.; Fransen, P. Michel; Fröhlich, Roland; Janssen, Henk M.; De Cola, Luisa
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2008
• Journal volume: 18
• Journal issue: 38
• Pages of publication: 4579
• a: 25.9847 ± 0.0002 Å
• b: 16.2224 ± 0.0002 Å
• c: 18.3429 ± 0.0002 Å
• α: 90°
• β: 116.537 ± 0.001°
• γ: 90°
• Cell volume: 6917.55 ± 0.14 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.0388
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No