Information card for entry 4084024

Structure parameters

• Formula: C39 H50 Cl2 F6 N2 O2 P Pd S Sb
• Calculated formula: C39 H50 Cl2 F6 N2 O2 P Pd S Sb
• SMILES: [Pd]1([n]2c(C)cccc2C)([O]=S(N(C2CCCCC2)C2CCCCC2)(=O)c2c([P]1(c1ccccc1)c1ccccc1)cccc2)C.[Sb](F)(F)(F)(F)([F-])F.C(Cl)Cl
• Title of publication: Cationic Palladium(II) Complexes of Phosphine‒Sulfonamide Ligands: Synthesis, Characterization, and Catalytic Ethylene Oligomerization
• Authors of publication: Zhang, Yanlu; Cao, Yanchun; Leng, Xuebing; Chen, Changle; Huang, Zheng
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 14
• Pages of publication: 3738
• a: 12.0283 ± 0.0011 Å
• b: 12.8701 ± 0.0012 Å
• c: 16.2643 ± 0.0015 Å
• α: 102.435 ± 0.002°
• β: 111.31 ± 0.001°
• γ: 99.491 ± 0.001°
• Cell volume: 2207.3 ± 0.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No