Information card for entry 1540487

Structure parameters

• Formula: C31 H51 Cl2 F6 N O3 P3 Pd
• Calculated formula: C31 H51 Cl2 F6 N O3 P3 Pd
• SMILES: [Pd]1([P](c2ccccc2P(=[O]1)(C(C)(C)C)C(C)(C)C)(C(C)C)C(C)C)(C(C(=O)OC)CC)[n]1ccccc1.[P](F)(F)(F)(F)(F)[F-].ClCCl
• 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: 8.2128 ± 0.0013 Å
• b: 22.725 ± 0.004 Å
• c: 20.504 ± 0.004 Å
• α: 90°
• β: 100.299 ± 0.0019°
• γ: 90°
• Cell volume: 3765.1 ± 1.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No