Information card for entry 4105084

Structure parameters

• Formula: C28 H28 Cl4 N O5 P Pd S
• Calculated formula: C28 H28 Cl4 N O5 P Pd S
• Title of publication: Mechanistic Studies on the Formation of Linear Polyethylene Chain Catalyzed by Palladium Phosphine-Sulfonate Complexes: Experiment and Theoretical Studies
• Authors of publication: Shusuke Noda; Akifumi Nakamura; Takuya Kochi; Lung Wa Chung; Keiji Morokuma; Kyoko Nozaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 14088 - 14100
• a: 13.566 ± 0.004 Å
• b: 15.65 ± 0.005 Å
• c: 29.776 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6322 ± 3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 8
• 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: 0.0396
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No