Information card for entry 4310074

Structure parameters

• Formula: C37.5 H41 F6 Ir N6 O0.5 P
• Calculated formula: C37.5 H41 F6 Ir N6 O0.5 P
• SMILES: [Ir]123([n]4n(c5c2cccc5)ccc4)([n]2n(c4c3cccc4)ccc2)[n]2ccc(C(C)(C)C)cc2c2[n]1ccc(c2)C(C)(C)C.O=C(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Cationic Bis-cyclometalated Iridium(III) Diimine Complexes and Their Use in Efficient Blue, Green, and Red Electroluminescent Devices
• Authors of publication: Arnold B. Tamayo; Simona Garon; Tissa Sajoto; Peter I. Djurovich; Irina M. Tsyba; Robert Bau; Mark E. Thompson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8723 - 8732
• a: 14.337 ± 0.006 Å
• b: 12.524 ± 0.005 Å
• c: 23.755 ± 0.01 Å
• α: 90°
• β: 97.116 ± 0.007°
• γ: 90°
• Cell volume: 4233 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No