Information card for entry 4122404

Structure parameters

• Formula: C22 H34 N O3 P Pd S
• Calculated formula: C22 H34 N O3 P Pd S
• SMILES: [Pd]1([P](C(C)(C)C)(c2c(S(=O)(=O)O1)cccc2)C(C)(C)C)([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: 8.496 ± 0.002 Å
• b: 33.064 ± 0.008 Å
• c: 8.677 ± 0.002 Å
• α: 90°
• β: 107.978 ± 0.003°
• γ: 90°
• Cell volume: 2318.5 ± 0.9 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No