Information card for entry 1547335

Structure parameters

• Formula: C32 H33 O5 P Pd S2
• Calculated formula: C32 H33 O5 P Pd S2
• SMILES: [Pd]1([S](=O)(C)C)([P](c2ccccc2c2occc2)(c2c(S(=O)(=O)O1)cccc2)c1ccccc1)C.c1(ccccc1)C
• Title of publication: Manipulation of Polymer Branching Density in Phosphine-Sulfonate Palladium and Nickel Catalyzed Ethylene Polymerization
• Authors of publication: Yang, Bangpei; Xiong, Shuoyan; Chen, Changle
• Journal of publication: Polym. Chem.
• Year of publication: 2017
• a: 10.075 ± 0.0008 Å
• b: 11.6829 ± 0.0009 Å
• c: 14.3961 ± 0.0012 Å
• α: 75.307 ± 0.001°
• β: 72.583 ± 0.001°
• γ: 84.033 ± 0.002°
• Cell volume: 1563.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0707
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No