Information card for entry 4107548

Structure parameters

• Common name: 4
• Formula: C40 H28 F6 Ir N4 P
• Calculated formula: C40 H28 F6 Ir N4 P
• SMILES: [Ir]123([n]4c5ccccc5ccc4c4[n]1c1c(cc4)cccc1)([n]1ccccc1c1ccccc21)[n]1ccccc1c1ccccc31.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Solid-State White Light-Emitting Electrochemical Cells Using Iridium-Based Cationic Transition Metal Complexes
• Authors of publication: Hai-Ching Su; Hsiao-Fan Chen; Fu-Chuan Fang; Chih-Che Liu; Chung-Chih Wu; Ken-Tsung Wong; Yi-Hung Liu; Shie-Ming Peng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 3413 - 3419
• a: 13.91 ± 0.0002 Å
• b: 13.0166 ± 0.0002 Å
• c: 19.9665 ± 0.0004 Å
• α: 90°
• β: 107.872 ± 0.001°
• γ: 90°
• Cell volume: 3440.7 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No