Information card for entry 1550337

Structure parameters

• Formula: C31 H38 Cl2 O5 P S
• Calculated formula: C31 H39 Cl2 O5 P S
• SMILES: S(=O)(=O)(c1c([P@H+]([C@H]2[C@@H](CC[C@H](C2)C)C(C)C)c2ccccc2c2c(cccc2OC)OC)cccc1)[O-].C(Cl)Cl
• 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: 22.6855 ± 0.0008 Å
• b: 22.6855 ± 0.0008 Å
• c: 10.7563 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4793.9 ± 0.4 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 6
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No