Information card for entry 4074220

Structure parameters

• Formula: C33 H33 Cl2 N3 O10 Pd S
• Calculated formula: C33 H33 Cl2 N3 O10 Pd S
• SMILES: [Pd]12([n]3cccc4cccc(N(S(=O)(=O)c5ccc(cc5)C)Cc5[n]1cccc5)c34)[C](=[C]2(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC.ClCCl
• Title of publication: Role of the Ligand and of the Size and Flexibility of the Palladium−Ancillary Ligand Cycle on the Reactivity of Substituted Alkynes toward Palladium(0) Complexes Bearing Potentially Terdentate Nitrogen−Sulfur−Nitrogen or Nitrogen−Nitrogen−Nitrogen Ligands: Kinetic and Structural Study
• Authors of publication: Canovese, Luciano; Visentin, Fabiano; Chessa, Gavino; Uguagliati, Paolo; Levi, Carlo; Dolmella, Alessandro; Bandoli, Giuliano
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 22
• Pages of publication: 5355
• a: 10.856 ± 0.002 Å
• b: 20.63 ± 0.004 Å
• c: 16.833 ± 0.003 Å
• α: 90°
• β: 105.58 ± 0.03°
• γ: 90°
• Cell volume: 3631.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0522
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No