Information card for entry 4102386

Structure parameters

• Formula: C34 H41 O3 P Pd Si2
• Calculated formula: C34 H41 O3 P Pd Si2
• SMILES: [Pd]123([P](c4ccccc4c4c(OC)cccc4OC)(c4ccccc4)c4ccccc4)[CH2]=[CH]1[Si](O[Si]([CH]2=[CH2]3)(C)C)(C)C
• Title of publication: Efficient Bulky Phosphines for the Selective Telomerization of 1,3-Butadiene with Methanol
• Authors of publication: Mathieu J.-L. Tschan; Eduardo J. García-Suárez; Zoraida Freixa; Hélène Launay; Henk Hagen; Jordi Benet-Buchholz; Piet W. N. M. van Leeuwen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 6463 - 6473
• a: 20.0915 ± 0.0017 Å
• b: 17.3002 ± 0.0017 Å
• c: 18.7964 ± 0.0018 Å
• α: 90°
• β: 94.156 ± 0.004°
• γ: 90°
• Cell volume: 6516.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No