Information card for entry 4033853

Structure parameters

• Formula: C22 H23 N O2 Pt S Si
• Calculated formula: C22 H23 N O2 Pt S Si
• SMILES: [Pt]12(c3c(c4[n]2cccc4)sc([Si](C)(C)c2ccccc2)c3)OC(=CC(=[O]1)C)C
• Title of publication: Enhancement of the Photofunction of Phosphorescent Pt(II) Cyclometalated Complexes Driven by Substituents: Solid-State Luminescence and Circularly Polarized Luminescence.
• Authors of publication: Usuki, Tsukasa; Uchida, Hikaru; Omoto, Kenichiro; Yamanoi, Yoshinori; Yamada, Ayano; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 17
• Pages of publication: 10749 - 10756
• a: 14.334 ± 0.004 Å
• b: 12.401 ± 0.003 Å
• c: 12.344 ± 0.004 Å
• α: 90°
• β: 105.26 ± 0.003°
• γ: 90°
• Cell volume: 2116.9 ± 1 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 7
• 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: 0.0421
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No