Information card for entry 7237612

Structure parameters

• Formula: C54 H36 F6 Ir N5 P2 S2
• Calculated formula: C54 H36 F6 Ir N5 P2 S2
• Title of publication: Highly efficient green and red electroluminescence with an extremely low efficiency roll-off based on iridium(iii) complexes containing a bis(diphenylphorothioyl)amide ancillary ligand
• Authors of publication: Ma, Xiao-Feng; Xia, Jing-Cheng; Yan, Zhi-Ping; Luo, Xu-Feng; Wu, Zheng-Guang; Zheng, You-Xuan; Zhang, Wen-Wei
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 2570
• a: 20.775 ± 0.003 Å
• b: 22.658 ± 0.004 Å
• c: 10.1503 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4777.9 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No