Information card for entry 4073675

Structure parameters

• Formula: C27 H26 N O6 P Pd S
• Calculated formula: C27 H26 N O6 P Pd S
• SMILES: [Pd]1([P](c2c(S(=O)(=O)O1)cccc2)(c1c(OC)cccc1)c1ccccc1OC)(C(=O)C)[n]1ccccc1
• Title of publication: Inhibitory Role of Carbon Monoxide in Palladium(II)-Catalyzed Nonalternating Ethene/Carbon Monoxide Copolymerizations and the Synthesis of Polyethene-block-poly(ethene-alt-carbon monoxide)
• Authors of publication: Newsham, David K.; Borkar, Sachin; Sen, Ayusman; Conner, David M.; Goodall, Brian L.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 15
• Pages of publication: 3636
• a: 11.567 ± 0.002 Å
• b: 14.097 ± 0.003 Å
• c: 16.198 ± 0.003 Å
• α: 90°
• β: 96.68 ± 0.03°
• γ: 90°
• Cell volume: 2623.3 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No