Information card for entry 4063546

Structure parameters

• Formula: C52 H49 P3 Pd S Si
• Calculated formula: C52 H49 P3 Pd S Si
• SMILES: C[Si](C)(C)[C]1(P(c2ccccc2)c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]=1
• Title of publication: Formation of a Palladium Thioketone Complex from a Thiophosphinoyl Stabilized Li/Cl Carbenoid
• Authors of publication: Gessner, Viktoria H.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 16
• Pages of publication: 4228
• a: 11.382 ± 0.003 Å
• b: 13.542 ± 0.003 Å
• c: 15.957 ± 0.004 Å
• α: 79.574 ± 0.003°
• β: 74.649 ± 0.004°
• γ: 77.131 ± 0.004°
• Cell volume: 2292.7 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0415
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No