Information card for entry 4506119

Structure parameters

• Formula: C50 H58 Cl4 O6 P2 Pd2 S2
• Calculated formula: C50 H58 Cl4 O6 P2 Pd2 S2
• Title of publication: Enhancement of Chain Growth and Chain Transfer Rates in Ethylene Polymerization by (Phosphine-sulfonate)PdMe Catalysts by Binding of B(C6F5)3to the Sulfonate Group
• Authors of publication: Cai, Zhengguo; Shen, Zhongliang; Zhou, Xiaoyuan; Jordan, Richard F.
• Journal of publication: ACS Catalysis
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 6
• Pages of publication: 1187
• a: 20.009 ± 0.016 Å
• b: 13.184 ± 0.011 Å
• c: 19.278 ± 0.016 Å
• α: 90°
• β: 95.989 ± 0.015°
• γ: 90°
• Cell volume: 5058 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No