Information card for entry 7237576

Structure parameters

• Formula: C44 H24 F12 Ir N7 O
• Calculated formula: C44 H24 F12 Ir N7 O
• 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: 13.884 ± 0.003 Å
• b: 24.698 ± 0.005 Å
• c: 12.797 ± 0.002 Å
• α: 90°
• β: 112.167 ± 0.003°
• γ: 90°
• Cell volume: 4063.8 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0591
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No