Information card for entry 4087260

Structure parameters

• Formula: C32.5 H17.9 Cl1.1 F7 Ir N3 O2
• Calculated formula: C32.5 H17.9 Cl1.1 F7 Ir N3 O2
• Title of publication: Color Tuning of Efficient Electroluminescence in the Blue and Green Regions Using Heteroleptic Iridium Complexes with 2-Phenoxyoxazole Ancillary Ligands
• Authors of publication: Benjamin, Helen; Liang, Jie; Liu, Yu; Geng, Yun; Liu, Xingman; Zhu, Dongxia; Batsanov, Andrei S.; Bryce, Martin R.
• Journal of publication: Organometallics
• Year of publication: 2017
• a: 13.0961 ± 0.0006 Å
• b: 14.9991 ± 0.0007 Å
• c: 17.6182 ± 0.0009 Å
• α: 100.939 ± 0.0017°
• β: 105.983 ± 0.0017°
• γ: 112.871 ± 0.0016°
• Cell volume: 2888.2 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 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: 0.039
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No