Information card for entry 4064959

Structure parameters

• Common name: jonsk33
• Chemical name: (dippe)Pt(Me)(SEt)
• Formula: C17 H40 P2 Pt S
• Calculated formula: C17 H40 P2 Pt S
• SMILES: [Pt]1([P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)(SCC)C
• 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: 10.3969 ± 0.0009 Å
• b: 15.2962 ± 0.0013 Å
• c: 14.1669 ± 0.0012 Å
• α: 90°
• β: 109.672 ± 0.002°
• γ: 90°
• Cell volume: 2121.5 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0794
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No