Information card for entry 7008104

Structure parameters

• Formula: C46 H28 Cl3 F3 Ir N3
• Calculated formula: C46 H28 Cl3 F3 Ir N3
• SMILES: [Ir]123([n]4ccc5ccccc5c4c4ccc(F)cc14)([n]1ccc4ccccc4c1c1ccc(F)cc21)[n]1ccc2ccccc2c1c1ccc(F)cc31.ClC(Cl)Cl
• Title of publication: Substituent effects of iridium complexes for highly efficient red OLEDs.
• Authors of publication: Okada, Shinjiro; Okinaka, Keiji; Iwawaki, Hironobu; Furugori, Manabu; Hashimoto, Masashi; Mukaide, Taihei; Kamatani, Jun; Igawa, Satoshi; Tsuboyama, Akira; Takiguchi, Takao; Ueno, Kazunori
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 9
• Pages of publication: 1583 - 1590
• a: 13.3262 ± 0.0004 Å
• b: 19.4561 ± 0.0004 Å
• c: 14.3648 ± 0.0003 Å
• α: 90°
• β: 96.785 ± 0.001°
• γ: 90°
• Cell volume: 3698.36 ± 0.16 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.263
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No