Information card for entry 7234712

Structure parameters

• Formula: C33.5 H32 Cl F4 Ir N2 O4
• Calculated formula: C33.5 H32 Cl F4 Ir N2 O4
• Title of publication: Tuning the oxidation potential of 2-phenylpyridine-based iridium complexes to improve the performance of bluish and white OLEDs
• Authors of publication: Yafei Wang; Ning Sun; Basile F. E. Curchod; Louise Male; Dongge Ma; Jiang Fan; Yu Liu; Weiguo Zhu; Etienne Baranoff
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 3738 - 3746
• a: 13.2592 ± 0.0003 Å
• b: 17.0439 ± 0.0004 Å
• c: 17.1957 ± 0.0004 Å
• α: 113.094 ± 0.002°
• β: 105.613 ± 0.0019°
• γ: 99.0525 ± 0.0018°
• Cell volume: 3287.63 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0359
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No