Information card for entry 4078013

Structure parameters

• Formula: C23 H29 O7 P Pd S
• Calculated formula: C23 H29 O7 P Pd S
• SMILES: [Pd]1([P](c2c(S(=O)(=O)O1)cccc2)(c1ccccc1OC)c1c(OC)cccc1)([OH]C)C.OC
• Title of publication: Limits of Activity: Weakly Coordinating Ligands in Arylphosphinesulfonato Palladium(II) Polymerization Catalysts
• Authors of publication: Neuwald, Boris; Ölscher, Franz; Göttker-Schnetmann, Inigo; Mecking, Stefan
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3128
• a: 11.4001 ± 0.0006 Å
• b: 14.0634 ± 0.0006 Å
• c: 15.5159 ± 0.0009 Å
• α: 90°
• β: 93.681 ± 0.005°
• γ: 90°
• Cell volume: 2482.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No