Information card for entry 4086439

Structure parameters

• Formula: C25 H37 O4 P Pd S2
• Calculated formula: C25 H37 O4 P Pd S2
• SMILES: [Pd]1([P](c2ccc3c(c2S(=O)(=O)O1)cccc3)(C1CCCCC1)C1CCCCC1)([S](=O)(C)C)C
• Title of publication: Ethylene Polymerization and Copolymerization by Palladium and Nickel Catalysts Containing Naphthalene-Bridged Phosphine‒Sulfonate Ligands
• Authors of publication: Wu, Zixia; Chen, Min; Chen, Changle
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 1472
• a: 21.5627 ± 0.0006 Å
• b: 12.9662 ± 0.0004 Å
• c: 19.8892 ± 0.0007 Å
• α: 90°
• β: 103.413 ± 0.004°
• γ: 90°
• Cell volume: 5409.1 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1904
• Weighted residual factors for all reflections included in the refinement: 0.206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No