Information card for entry 4081232

Structure parameters

• Formula: C25 H31 O8 P Pd S2
• Calculated formula: C25 H31 O8 P Pd S2
• SMILES: c12c(cccc1)[P](c1c(cc(cc1)OC)OC)(c1c(cc(cc1)OC)OC)[Pd](C)(OS2(=O)=O)[S](C)(C)=O
• Title of publication: Electronic Influences in Phosphinesulfonato Palladium(II) Polymerization Catalysts
• Authors of publication: Wucher, Philipp; Goldbach, Verena; Mecking, Stefan
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 16
• Pages of publication: 4516
• a: 14.0244 ± 0.0008 Å
• b: 14.7958 ± 0.0008 Å
• c: 16.1492 ± 0.0009 Å
• α: 90°
• β: 116.076 ± 0.004°
• γ: 90°
• Cell volume: 3009.9 ± 0.3 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: 0.0478
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No