Information card for entry 4083715

Structure parameters

• Formula: C18.5 H34 Cl2 O3 P2 Pd
• Calculated formula: C18.5 H34 Cl2 O3 P2 Pd
• SMILES: C[Pd]1(Cl)[O]=P(c2ccc(cc2[P]1(C(C)C)C(C)C)C)(OCC)OCC.C(Cl)Cl
• Title of publication: Copolymerization of Ethylene and Methyl Acrylate by Cationic Palladium Catalysts That Contain Phosphine-Diethyl Phosphonate Ancillary Ligands
• Authors of publication: Contrella, Nathan D.; Sampson, Jessica R.; Jordan, Richard F.
• Journal of publication: Organometallics
• Year of publication: 2014
• Pages of publication: 140623145555006
• a: 12.149 ± 0.005 Å
• b: 13.962 ± 0.005 Å
• c: 16.151 ± 0.006 Å
• α: 104.042 ± 0.007°
• β: 112.074 ± 0.006°
• γ: 100.911 ± 0.007°
• Cell volume: 2340 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0625
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No