Information card for entry 7000661

Structure parameters

• Formula: C26 H17 Cl F3 Ir N4
• Calculated formula: C26 H17 Cl F3 Ir N4
• SMILES: [Ir]123(Cl)([n]4ccccc4c4c2c(c(F)cc4F)c2[n]1ccn2C)[n]1c(c2c3cc(F)cc2)cccc1
• Title of publication: Syntheses and photophysical properties of optical-active blue-phosphorescent iridium complexes bearing asymmetric tridentate ligands
• Authors of publication: Ashizawa, Misa; Yang, Lifen; Kobayashi, Katsuaki; Sato, Hisako; Yamagishi, Akihiko; Okuda, Fumio; Harada, Takunori; Kuroda, Reiko; Haga, Masa-aki
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 10
• Pages of publication: 1700 - 1702
• a: 8.58 ± 0.02 Å
• b: 26.16 ± 0.03 Å
• c: 10.75 ± 0.02 Å
• α: 90°
• β: 112.47 ± 0.02°
• γ: 90°
• Cell volume: 2230 ± 7 ų
• Cell temperature: 123.1 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 significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.0432
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No