Information card for entry 4316579

Structure parameters

• Formula: C51 H34 Cl2 F2 Ir N4 P
• Calculated formula: C51 H34 Cl2 F2 Ir N4 P
• SMILES: [Ir]123([P](c4cccc5cccc3c45)(c3ccccc3)c3ccccc3)([n]3c(c4c1cc(cc4)F)c1ccccc1nc3)[n]1c(c3c2cc(cc3)F)c2ccccc2nc1.C(Cl)Cl
• Title of publication: Diphenyl(1-naphthyl)phosphine Ancillary for Assembling of Red and Orange-Emitting Ir(III) Based Phosphors; Strategic Synthesis, Photophysics, and Organic Light-Emitting Diode Fabrication
• Authors of publication: Bo-Sian Du; Chen-Huey Lin; Yun Chi; Jui-Yi Hung; Min-Wen Chung; Tsung-Yi Lin; Gene-Hsiang Lee; Ken-Tsung Wong; Pi-Tai Chou; Wen-Yi Hung; Hao-Chih Chiu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8713 - 8723
• a: 22.0192 ± 0.001 Å
• b: 9.422 ± 0.0004 Å
• c: 21.6136 ± 0.001 Å
• α: 90°
• β: 115.095 ± 0.001°
• γ: 90°
• Cell volume: 4060.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0478
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0835
• 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