Information card for entry 4103781

Structure parameters

• Formula: C39.5 H45 O8 P Pd S2
• Calculated formula: C37 H39 O8 P Pd S2
• SMILES: [Pd]1([P](c2ccccc2c2c(OC)cccc2OC)(c2c(c3c(OC)cccc3OC)cccc2)c2ccccc2S(=O)(=O)O1)([S](=O)(C)C)C
• Title of publication: Insertion Polymerization of Acrylate
• Authors of publication: Damien Guironnet; Philipp Roesle; Thomas Rünzi; Inigo Göttker-Schnetmann; Stefan Mecking
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 422 - 423
• a: 10.2115 ± 0.0007 Å
• b: 11.9691 ± 0.0007 Å
• c: 15.3437 ± 0.0009 Å
• α: 96.244 ± 0.005°
• β: 95.976 ± 0.005°
• γ: 91.175 ± 0.005°
• Cell volume: 1853.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No