Information card for entry 4064957

Structure parameters

• Common name: jonsk46
• Chemical name: (dippe)Pt(COPr)SMe
• Formula: C19 H42 O P2 Pt S
• Calculated formula: C19 H42 O P2 Pt S
• SMILES: [Pt]1(SC)([P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)C(=O)CCC
• Title of publication: C‒S Bond Activation of Thioesters Using Platinum(0)
• Authors of publication: Kundu, Sabuj; Brennessel, William W.; Jones, William D.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 19
• Pages of publication: 5147
• a: 8.733 ± 0.003 Å
• b: 17.202 ± 0.006 Å
• c: 15.861 ± 0.005 Å
• α: 90°
• β: 95.518 ± 0.006°
• γ: 90°
• Cell volume: 2371.7 ± 1.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No