Information card for entry 4303006

Structure parameters

• Formula: C47 H39 F3 Ir N3 P2
• Calculated formula: C47 H39 F3 Ir N3 P2
• Title of publication: Authentic-Blue Phosphorescent Iridium(III) Complexes Bearing Both Hydride and Benzyl Diphenylphosphine; Control of the Emission Efficiency by Ligand Coordination Geometry
• Authors of publication: Yuan-Chieh Chiu; Chen-Huey Lin; Jui-Yi Hung; Yun Chi; Yi-Ming Cheng; Kang-Wei Wang; Min-Wen Chung; Gene-Hsiang Lee; Pi-Tai Chou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8164 - 8172
• a: 14.63 ± 0.0006 Å
• b: 14.9847 ± 0.0006 Å
• c: 18.2547 ± 0.0008 Å
• α: 90°
• β: 92.581 ± 0.001°
• γ: 90°
• Cell volume: 3997.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No