Information card for entry 4341755

Structure parameters

• Formula: C24 H21 N O2 Pt S
• Calculated formula: C24 H21 N O2 Pt S
• SMILES: [Pt]12(C(c3ccc(Sc4ccccc4)cc3)=Cc3[n]1cccc3)OC(=CC(=[O]2)C)C
• Title of publication: Phosphorescent Platinum(II) Complexes Bearing 2-Vinylpyridine-type Ligands: Synthesis, Electrochemical and Photophysical Properties, and Tuning of Electrophosphorescent Behavior by Main-Group Moieties.
• Authors of publication: Yang, Xiaolong; Xu, Xianbin; Zhao, Jiang; Dang, Jing-Shuang; Huang, Zuan; Yan, Xiaogang; Zhou, Guijiang; Wang, Dongdong
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141204103846004
• a: 15.2526 ± 0.0011 Å
• b: 10.8566 ± 0.0008 Å
• c: 13.9408 ± 0.001 Å
• α: 90°
• β: 113.559 ± 0.001°
• γ: 90°
• Cell volume: 2116.1 ± 0.3 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: 0.0469
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No