Information card for entry 7212919

Structure parameters

• Formula: C40 H35 Ir O2 P2
• Calculated formula: C40 H35 Ir O2 P2
• SMILES: [Ir]123([P](Cc4c2cccc4)(c2ccccc2)c2ccccc2)([P](Cc2c3cccc2)(c2ccccc2)c2ccccc2)[O]=C(O1)C
• Title of publication: Phosphorescent Ir(iii) complexes bearing double benzyldiphenylphosphine cyclometalates; strategic synthesis, fundamental and integration for white OLED fabrication
• Authors of publication: Hung, Jui-Yi; Lin, Chen-Huey; Chi, Yun; Chung, Min-Wen; Chen, Yi-Ju; Lee, Gene-Hsiang; Chou, Pi-Tai; Chen, Chung-Chia; Wu, Chung-Chih
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2010
• Journal volume: 20
• Journal issue: 36
• Pages of publication: 7682
• a: 11.623 ± 0.0004 Å
• b: 14.4659 ± 0.0005 Å
• c: 19.0615 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3204.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.0414
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No