Information card for entry 4309812

Structure parameters

• Formula: C34 H28 Cl4 F9 Ir N8
• Calculated formula: C34 H28 Cl4 F9 Ir N8
• SMILES: [Ir]123([n]4n(c(cc4C)C)c4ccc(cc24)F)([n]2n(c(cc2C)C)c2ccc(cc32)F)[n]2ccccc2c2n1nc(n2)C(C(C(F)(F)F)(F)F)(F)F.C(Cl)Cl.C(Cl)Cl
• Title of publication: Heteroleptic Cyclometalated Iridium(III) Complexes Displaying Blue Phosphorescence in Solution and Solid State at Room Temperature
• Authors of publication: Cheng-Han Yang; Shih-Wen Li; Yun Chi; Yi-Ming Cheng; Yu-Shan Yeh; Pi-Tai Chou; Gene-Hsiang Lee; Chih-Hsiang Wang; Ching-Fong Shu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7770 - 7780
• a: 9.3973 ± 0.0004 Å
• b: 12.6736 ± 0.0005 Å
• c: 17.8433 ± 0.0007 Å
• α: 103.941 ± 0.001°
• β: 99.917 ± 0.001°
• γ: 107.633 ± 0.001°
• Cell volume: 1895.27 ± 0.13 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No