Information card for entry 4107547

Structure parameters

• Common name: 3
• Formula: C36 H32 F10 Ir N6 O P
• Calculated formula: C36 H32 F10 Ir N6 O P
• SMILES: [Ir]123([n]4c5c6[n]1cccc6C(c5ccc4)(CC)CC)([n]1n(ccc1)c1c(F)cc(F)cc21)[n]1n(ccc1)c1c(F)cc(F)cc31.[P](F)(F)(F)(F)(F)[F-].O=C(C)C
• 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: 10.044 ± 0.0001 Å
• b: 14.0914 ± 0.0001 Å
• c: 14.4291 ± 0.0002 Å
• α: 67.055 ± 0.001°
• β: 87.208 ± 0.001°
• γ: 84.651 ± 0.001°
• Cell volume: 1872.27 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No