Information card for entry 7203692

Structure parameters

• Formula: C47 H35 Ir N2 O2
• Calculated formula: C47 H35 Ir N2 O2
• SMILES: [Ir]123(OC(=CC(=[O]1)C)C)([n]1c(c4c2cccc4)cc(c2ccccc12)c1ccccc1)[n]1c(c2c3cccc2)cc(c2ccccc12)c1ccccc1
• Title of publication: Tuning the emission and morphology of cyclometalated iridium complexes and their applications to organic light-emitting diodes
• Authors of publication: Wu, Fang-Iy; Su, Huei-Jen; Shu, Ching-Fong; Luo, Liyang; Diau, Wei-Guang; Cheng, Chien-Hong; Duan, Jiun-Pey; Lee, Gene-Hsiang
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2005
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 1035
• a: 11.2451 ± 0.0005 Å
• b: 11.7178 ± 0.0005 Å
• c: 14.2394 ± 0.0006 Å
• α: 106.876 ± 0.001°
• β: 91.234 ± 0.001°
• γ: 100.583 ± 0.001°
• Cell volume: 1759.35 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No