Information card for entry 4513679

Structure parameters

• Formula: C32 H38 Cl3 N P2 Pd S
• Calculated formula: C32 H38 Cl3 N P2 Pd S
• SMILES: [Pd]1([P](c2ccccc2P(=[S]1)(N(C(C)C)C(C)C)c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)C.ClCCl
• Title of publication: Ethylene Polymerization and Copolymerization with Polar Monomers by Cationic Phosphine Phosphonic Amide Palladium Complexes
• Authors of publication: Sui, Xuelin; Dai, Shengyu; Chen, Changle
• Journal of publication: ACS Catalysis
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 10
• Pages of publication: 5932
• a: 11.77 ± 0.005 Å
• b: 16.605 ± 0.005 Å
• c: 35.069 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6854 ± 4 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No