Information card for entry 7233646

Structure parameters

• Formula: C49 H45 Ir N8 O3
• Calculated formula: C49 H33 Ir N8 O3
• SMILES: [Ir]123([n]4ccccc4c4n1nc(n4)C)([n]1c4ccccc4n(c4ccccc4)c1c1ccccc21)[n]1c(n(c2ccccc2)c2ccccc12)c1c3cccc1.OC.OC.OC
• Title of publication: Iridium(III) complexes adopting 1,2-diphenyl-1H-benzoimidazole ligands for highly efficient organic light-emitting diodes with low efficiency roll-off and non-doped feature
• Authors of publication: Hongtao Cao; Haizhu Sun; Yongming Yin; Xuemei Wen; Guogang Shan; Zhongmin Su; Ronglin Zhong; Wenfa Xie; Peng Li; Dongxia Zhu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 2150 - 2159
• a: 13.303 ± 0.005 Å
• b: 22.847 ± 0.005 Å
• c: 19.514 ± 0.005 Å
• α: 90°
• β: 132.756 ± 0.015°
• γ: 90°
• Cell volume: 4355 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0708
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.778
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No