Information card for entry 7719192

Structure parameters

• Chemical name: 1
• Formula: C H F Ir N O
• Calculated formula: C4.64 H3.92 F0.16 Ir0.08 N0.56 O0.32
• 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: 12.285 ± 0.002 Å
• b: 13.996 ± 0.002 Å
• c: 16.348 ± 0.003 Å
• α: 83.091 ± 0.004°
• β: 76.754 ± 0.004°
• γ: 66.757 ± 0.003°
• Cell volume: 2512.6 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1493
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.1907
• Weighted residual factors for all reflections included in the refinement: 0.2203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No