Information card for entry 4033854

Structure parameters

• Formula: C30 H31 N O3 Pt S Si
• Calculated formula: C30 H31 N O3 Pt S Si
• SMILES: [Pt]12(c3cc(sc3c3[n]2cccc3)[Si@@](C)(c2ccccc2OC)c2c(cccc2C)C)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: 8.711 ± 0.003 Å
• b: 13.404 ± 0.004 Å
• c: 12.174 ± 0.004 Å
• α: 90°
• β: 106.607 ± 0.005°
• γ: 90°
• Cell volume: 1362.2 ± 0.8 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No