Information card for entry 4514124

Structure parameters

• Common name: 2c
• Formula: C25 H24 F4 N2 Pt S
• Calculated formula: C25 H24 F4 N2 Pt S
• SMILES: C[S](C)[Pt]1(c2ccccc2)n2c3c(c(c(c(c3cc2c2cc(cc[n]12)C(C)(C)C)F)F)F)F
• 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: 8.9213 ± 0.0005 Å
• b: 10.1362 ± 0.0005 Å
• c: 14.7554 ± 0.0008 Å
• α: 97.236 ± 0.003°
• β: 90.819 ± 0.003°
• γ: 94.146 ± 0.003°
• Cell volume: 1319.84 ± 0.12 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: 0.0142
• Residual factor for significantly intense reflections: 0.0131
• Weighted residual factors for significantly intense reflections: 0.0291
• Weighted residual factors for all reflections included in the refinement: 0.0293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No