Information card for entry 4338813

Structure parameters

• Formula: C35 H27 F10 Ir N6 O0 P2
• Calculated formula: C35 H27 F10 Ir N6 P2
• SMILES: [Ir]123([P](CN4C=1N(C)C=C4)(c1ccccc1)c1ccccc1)([n]1n(ccc1)c1c2cc(F)cc1F)[n]1n(ccc1)c1c3cc(F)cc1F.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, Characterization, and Photophysical and Electroluminescent Properties of Blue-Emitting Cationic Iridium(III) Complexes Bearing Nonconjugated Ligands.
• Authors of publication: Zhang, Fuli; Ma, Dongxin; Duan, Lian; Qiao, Juan; Dong, Guifang; Wang, Liduo; Qiu, Yong
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 6596 - 6606
• a: 9.7489 ± 0.0019 Å
• b: 10.39 ± 0.002 Å
• c: 17.755 ± 0.004 Å
• α: 90.68 ± 0.03°
• β: 90.59 ± 0.03°
• γ: 105.31 ± 0.03°
• Cell volume: 1734.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0332
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No