Information card for entry 1550338

Structure parameters

• Formula: C34 H38 F2 N O3 P Pd S
• Calculated formula: C34 H38 F2 N O3 P Pd S
• SMILES: [n]1([Pd]2([P@@](c3c(S(=O)(=O)O2)cccc3)([C@H]2[C@@H](CC[C@H](C2)C)C(C)C)c2ccccc2c2c(F)cccc2F)C)ccccc1
• Title of publication: Sterically very bulky aliphatic/aromatic phosphine-sulfonate palladium catalysts for ethylene polymerization and copolymerization with polar monomers
• Authors of publication: Xia, Jian; Zhang, Yixin; Hu, Xiaoqiang; Ma, Xin; Cui, Lei; Zhang, Jianfu; Jian, Zhongbao
• Journal of publication: Polymer Chemistry
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 546
• a: 9.1697 ± 0.0006 Å
• b: 9.5203 ± 0.0006 Å
• c: 36.333 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3171.8 ± 0.3 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No