Information card for entry 7719190

Structure parameters

• Formula: C58 H32 F4 Ir N7 O4
• Calculated formula: C58 H32 F4 Ir N7 O4
• Title of publication: Strategic fluorine atom positioning in carbazolyl oxadiazole derivatives: constructing asymmetric Ir(III) complexes for enhanced electroluminescence performance.
• Authors of publication: Liu, Jia-Wei; Wang, Xue-Cheng; Wen, Li-Jing; Chen, Hao-Yu; Ren, Jin-Xia; Li, Jie; Liu, Chang; Li, Yong-Hua; Chen, Bo; Wang, Shi; Zhang, Kenneth Yin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 35
• Pages of publication: 13184 - 13191
• a: 20.018 ± 0.011 Å
• b: 14.807 ± 0.009 Å
• c: 22.779 ± 0.009 Å
• α: 90°
• β: 121.61 ± 0.03°
• γ: 90°
• Cell volume: 5750 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 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: 0.1238
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No