Information card for entry 7006647

Structure parameters

• Formula: C25 H33 Cl N O3 P Pd S
• Calculated formula: C25 H33 Cl N O3 P Pd S
• SMILES: [Pd]1(Cl)(C)[P](c2c(S(=O)(=O)O1)cccc2)(c1ccccc1)c1ccccc1.[NH+](CC)(CC)CC
• Title of publication: Synthesis of anionic methylpalladium complexes with phosphine-sulfonate ligands and their activities for olefin polymerization.
• Authors of publication: Kochi, Takuya; Yoshimura, Kenji; Nozaki, Kyoko
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 1
• Pages of publication: 25 - 27
• a: 14.186 ± 0.006 Å
• b: 10.679 ± 0.005 Å
• c: 17.678 ± 0.008 Å
• α: 90°
• β: 92.549 ± 0.002°
• γ: 90°
• Cell volume: 2675 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• 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: 0.0458
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No