Information card for entry 1540486

Structure parameters

• Formula: C25 H45 F6 O3 P3 Pd
• Calculated formula: C25 H45 F6 O3 P3 Pd
• SMILES: [Pd]12([P](c3ccccc3P(=[O]1)(C(C)(C)C)C(C)(C)C)(C(C)C)C(C)C)[O]=C(OC)C(C2)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 8.338 ± 0.004 Å
• b: 13.576 ± 0.006 Å
• c: 14.319 ± 0.007 Å
• α: 81.992 ± 0.015°
• β: 83.829 ± 0.016°
• γ: 75.466 ± 0.016°
• Cell volume: 1549.2 ± 1.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0997
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No