Information card for entry 7234145

Structure parameters

• Formula: C48 H30 F12 Ir N5 O2 P2
• Calculated formula: C48 H30 F12 Ir N5 O2 P2
• SMILES: c1(ccccc1)P1(c2ccccc2)=NP(c2ccccc2)(c2ccccc2)=[O][Ir]23(c4c(c5cccc[n]25)cc(C(F)(F)F)nc4C(F)(F)F)(c2c(cc(C(F)(F)F)nc2C(F)(F)F)c2cccc[n]32)O1
• Title of publication: Efficient OLEDs with low efficiency roll-off using iridium complexes possessing good electron mobility
• Authors of publication: Qiu-Lei Xu; Xiao Liang; Song Zhang; Yi-Ming Jing; Xuan Liu; Guang-Zhao Lu; You-Xuan Zheng; Jing-Lin Zuo
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 3694 - 3701
• a: 13.6205 ± 0.001 Å
• b: 23.0074 ± 0.0017 Å
• c: 16.9123 ± 0.0013 Å
• α: 90°
• β: 98.869 ± 0.001°
• γ: 90°
• Cell volume: 5236.5 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No