Information card for entry 4122403

Structure parameters

• Formula: C34 H54 N O3 P Pd S
• Calculated formula: C34 H54 N O3 P Pd S
• SMILES: [Pd]1([P](c2ccccc2S(=O)(=O)O1)([C@H]1[C@@H](CC[C@H](C1)C)C(C)C)[C@H]1[C@H](C(C)C)CC[C@@H](C)C1)([n]1c(cccc1C)C)C
• Title of publication: Quantification of the Steric Influence of Alkylphosphine-Sulfonate Ligands on Polymerization, Leading to High-Molecular-Weight Copolymers of Ethylene and Polar Monomers.
• Authors of publication: Ota, Yusuke; Ito, Shingo; Kuroda, Jun-Ichi; Okumura, Yoshikuni; Nozaki, Kyoko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 34
• Pages of publication: 11898
• a: 9.8649 ± 0.0015 Å
• b: 15.274 ± 0.002 Å
• c: 12.1669 ± 0.0019 Å
• α: 90°
• β: 111.051 ± 0.0017°
• γ: 90°
• Cell volume: 1710.9 ± 0.4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No