Information card for entry 4086370

Structure parameters

• Formula: C32 H28 Cl O P S Si
• Calculated formula: C32 H28 Cl O P S Si
• SMILES: ClC(P(=S)(c1ccccc1)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1OC
• Title of publication: Mono- and Bis-Cyclometalated Palladium Complexes: Synthesis, Characterization, and Catalytic Activity
• Authors of publication: Molitor, Sebastian; Schwarz, Christopher; Gessner, Viktoria H.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 2
• Pages of publication: 159
• a: 10.9149 ± 0.0007 Å
• b: 11.5973 ± 0.0007 Å
• c: 11.6182 ± 0.0007 Å
• α: 107.644 ± 0.002°
• β: 94.044 ± 0.002°
• γ: 95.38 ± 0.002°
• Cell volume: 1387.71 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No