Information card for entry 4514123

Structure parameters

• Common name: 2b
• Formula: C25 H26 F2 N2 Pt S
• Calculated formula: C25 H26 F2 N2 Pt S
• SMILES: C[S](C)[Pt]1(c2ccccc2)[n]2c(cc(cc2)C(C)(C)C)c2cc3c(c(ccc3F)F)n12
• Title of publication: Olefin Hydroarylation Catalyzed by (pyridyl-indolate)Pt(II) Complexes: Catalytic Efficiencies and Mechanistic Aspects
• Authors of publication: Suslick, Benjamin A.; Liberman-Martin, Allegra L.; Wambach, Truman C.; Tilley, T. Don
• Journal of publication: ACS Catalysis
• Year of publication: 2017
• Pages of publication: 4313
• a: 9.0052 ± 0.0004 Å
• b: 10.3193 ± 0.0005 Å
• c: 13.9951 ± 0.0006 Å
• α: 90.135 ± 0.002°
• β: 92.418 ± 0.002°
• γ: 94.402 ± 0.002°
• Cell volume: 1295.52 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0178
• Residual factor for significantly intense reflections: 0.0172
• Weighted residual factors for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No