Information card for entry 1552839

Structure parameters

• Formula: C30 H33 Cl2 O6 P Pd S2
• Calculated formula: C30 H33 Cl2 O6 P Pd S2
• SMILES: c1(c(cccc1)c1c(OC)cccc1OC)[P]1(c2ccccc2)[Pd]([S](=O)(C)C)(C)OS(=O)(=O)c2ccccc12.C(Cl)Cl
• Title of publication: Direct Synthesis of Polar-Functionalized Linear Low-Density Polyethylene (LLDPE) and Low-Density Polyethylene (LDPE)
• Authors of publication: Na, Yinna; Dai, Shengyu; Chen, Changle
• Journal of publication: Macromolecules
• Year of publication: 2018
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 4040
• a: 15.7379 ± 0.0013 Å
• b: 13.937 ± 0.0011 Å
• c: 14.7041 ± 0.0012 Å
• α: 90°
• β: 91.146 ± 0.002°
• γ: 90°
• Cell volume: 3224.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0556
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No