Information card for entry 4084939

Structure parameters

• Formula: C56 H74 Mg O14 P4 S2
• Calculated formula: C56 H74 Mg O14 P4 S2
• SMILES: c1(ccccc1)[P@]12c3cc(ccc3P(=[O][Mg]342(OS(=O)(c2c1cc(cc2)C)=O)OS(=O)(=O)c1c(cc(cc1)C)[P@]4(c1ccccc1)c1cc(ccc1P(=[O]3)(OCC)OCC)C)(OCC)OCC)C.CCOCC.CCOCC.c1(ccccc1)[P@@]12c3cc(ccc3P(=[O][Mg]342(OS(=O)(c2c1cc(cc2)C)=O)OS(=O)(=O)c1c(cc(cc1)C)[P@@]4(c1ccccc1)c1cc(ccc1P(=[O]3)(OCC)OCC)C)(OCC)OCC)C.CCOCC.CCOCC
• Title of publication: Lewis Acid Modification and Ethylene Oligomerization Behavior of Palladium Catalysts That Contain a Phosphine-Sulfonate-Diethyl Phosphonate Ancillary Ligand
• Authors of publication: Contrella, Nathan D.; Jordan, Richard F.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 24
• Pages of publication: 7199
• a: 11.584 ± 0.004 Å
• b: 11.755 ± 0.004 Å
• c: 22.355 ± 0.008 Å
• α: 75.154 ± 0.006°
• β: 83.523 ± 0.007°
• γ: 85.602 ± 0.007°
• Cell volume: 2920.1 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1683
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 0.775
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No