Information card for entry 4083719

Structure parameters

• Formula: C32 H46 Cl3 O6 P3 Pd
• Calculated formula: C32 H46 Cl3 O6 P3 Pd
• SMILES: C[Pd]1(Cl)[O]=P(c2ccccc2[P]1(c1ccc(cc1)C(C)(C)C)c1ccccc1P(=O)(OCC)OCC)(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: 9.946 ± 0.004 Å
• b: 10.195 ± 0.004 Å
• c: 19.46 ± 0.007 Å
• α: 94.449 ± 0.006°
• β: 91.8 ± 0.007°
• γ: 111.559 ± 0.006°
• Cell volume: 1825.8 ± 1.2 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: 0.0665
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No