Information card for entry 1540485

Structure parameters

• Formula: C29 H39 Cl O3 P2 Pd
• Calculated formula: C29 H39 Cl O3 P2 Pd
• SMILES: [Pd]1(C)(Cl)[P](c2ccccc2P(=[O]1)(C(C)(C)C)C(C)(C)C)(c1c(cccc1)OC)c1c(cccc1)OC
• Title of publication: Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts
• Authors of publication: Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 737
• a: 10.278 ± 0.002 Å
• b: 15.524 ± 0.004 Å
• c: 18.474 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2947.6 ± 1.1 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No