Information card for entry 7237575

Structure parameters

• Formula: C88 H48 F24 Ir2 N14 O2
• Calculated formula: C88 H48 F24 Ir2 N14 O2
• Title of publication: Two green iridium(iii) complexes containing the electron-transporting group of 4-phenyl-4H-1,2,4-triazole for highly efficient OLEDs
• Authors of publication: Lu, Guang-Zhao; Liu, Liang; Tu, Zhen-Long; Zhou, Yong-Hui; Zheng, You-Xuan
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 2022
• a: 15.012 ± 0.002 Å
• b: 16.24 ± 0.002 Å
• c: 20.022 ± 0.003 Å
• α: 97.891 ± 0.003°
• β: 90.762 ± 0.003°
• γ: 115.608 ± 0.003°
• Cell volume: 4345.7 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0964
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No