Information card for entry 4308773

Structure parameters

• Formula: C50 H33 Cl2 F3 Ir N7
• Calculated formula: C50 H33 Cl2 F3 Ir N7
• SMILES: [Ir]123([n]4ccccc4c4n1nc(c4)C(F)(F)F)([n]1c(c4c2cccc4)c(nc2c1cccc2)c1ccccc1)[n]1c(c2c3cccc2)c(nc2c1cccc2)c1ccccc1.C(Cl)Cl
• Title of publication: Iridium(III) Complexes with Orthometalated Quinoxaline Ligands: Subtle Tuning of Emission to the Saturated Red Color
• Authors of publication: Fu-Ming Hwang; Hsing-Yi Chen; Po-Shen Chen; Chao-Shiuan Liu; Yun Chi; Ching-Fong Shu; Fang-Iy Wu; Pi-Tai Chou; Shie-Ming Peng; Gene-Hsiang Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1344 - 1353
• a: 11.15 ± 0.0005 Å
• b: 12.5173 ± 0.0005 Å
• c: 17.0626 ± 0.0007 Å
• α: 100.415 ± 0.0008°
• β: 92.6985 ± 0.0009°
• γ: 114.95 ± 0.0008°
• Cell volume: 2103.16 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0352
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No