Information card for entry 7236833

Structure parameters

• Formula: C46 H31 Ir N5 O2 P
• Calculated formula: C46 H31 Ir N5 O2 P
• Title of publication: Iridium(iii) complexes bearing oxadiazol-substituted amide ligands: color tuning and application in highly efficient phosphorescent organic light-emitting diodes
• Authors of publication: Zhang, Fuli; Si, Changfeng; Dong, Xiaobin; Wei, Donghui; Yang, Xin; Guo, Kunping; Wei, Bin; Li, Zhongyi; Zhang, Chi; Li, Suzhi; Zhai, Bin; Cao, Guangxiu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 35
• Pages of publication: 9146
• a: 11.5534 ± 0.0005 Å
• b: 12.7423 ± 0.0006 Å
• c: 14.4329 ± 0.0006 Å
• α: 96.811 ± 0.002°
• β: 104.865 ± 0.002°
• γ: 105.379 ± 0.002°
• Cell volume: 1940.01 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No