Information card for entry 4113992

Structure parameters

• Formula: C40 H35 F3 O4 P2 Pd S
• Calculated formula: C40 H35 F3 O4 P2 Pd S
• SMILES: [Pd]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)C[CH]1=[CH]2O.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Synthesis, Structure, and Reactivity of a η3-1-Hydroxyallyl Complex: Protonation of an α,β-Unsaturated Carbonyl Compound Bound to Palladium(0) and Platinum(0)
• Authors of publication: Sensuke Ogoshi; Masaki Morita; Hideo Kurosawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 9020 - 9021
• a: 11.8091 ± 0.0005 Å
• b: 18.3006 ± 0.0007 Å
• c: 17.807 ± 0.001 Å
• α: 90°
• β: 103.656 ± 0.001°
• γ: 90°
• Cell volume: 3739.5 ± 0.3 ų
• Cell temperature: 273.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 2.437
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No