Information card for entry 4073674

Structure parameters

• Formula: C26 H26 N O5 P Pd S
• Calculated formula: C26 H26 N O5 P Pd S
• SMILES: [Pd]1([P](c2ccccc2OC)(c2ccccc2S(=O)(=O)O1)c1c(OC)cccc1)([n]1ccccc1)C
• 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: 11.484 ± 0.005 Å
• b: 13.828 ± 0.006 Å
• c: 16.239 ± 0.006 Å
• α: 90°
• β: 97.515 ± 0.008°
• γ: 90°
• Cell volume: 2556.6 ± 1.8 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0821
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No