Information card for entry 4003454

Structure parameters

• Formula: C26 H15 N3 O2 Pt
• Calculated formula: C26 H15 N3 O2 Pt
• SMILES: [Pt]123c4c(ccc5c4N(c4c5cccc4)c4cccc[n]34)Oc3cccc(c4[n]2cco4)c13
• Title of publication: Tetradentate Platinum(II) Complexes for Highly Efficient Phosphorescent Emitters and Sky Blue OLEDs
• Authors of publication: Li, Guijie; Zhao, Xiangdong; Fleetham, Tyler; Chen, Qidong; Zhan, Feng; Zheng, Jianbing; Yang, Yun-Fang; Lou, Weiwei; Yang, Yuning; Fang, Kun; Shao, Zongzhou; Zhang, Qisheng; She, Yuanbin
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 19.991 ± 0.007 Å
• b: 7.549 ± 0.003 Å
• c: 25.31 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3820 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No