Information card for entry 1554163

Structure parameters

• Formula: C45 H47 F6 N O6 P Pd S2 Sb
• Calculated formula: C45 H47 F6 N O6 P Pd S2 Sb
• SMILES: C[Pd]1([O]=S2(c3c(cccc3C(c3ccccc3)(c3ccccc3)N2c2ccccc2)[P]1(c1c(cccc1)OC)c1c(cccc1)OC)=O)[O]=S(C)C.CC(=O)C.[F-][Sb](F)(F)(F)(F)F
• Title of publication: Short-Chain Branched Polar-Functionalized Linear Polyethylene via “Tandem Catalysis”
• Authors of publication: Jian, Zhongbao; Mecking, Stefan
• Journal of publication: Macromolecules
• Year of publication: 2016
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 4057
• a: 18.959 Å
• b: 15.531 Å
• c: 16.25 Å
• α: 90°
• β: 98.98°
• γ: 90°
• Cell volume: 4726.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.0589
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No