Information card for entry 4086440

Structure parameters

• Formula: C25 H25 O4 P Pd S2
• Calculated formula: C25 H25 O4 P Pd S2
• SMILES: [Pd]1([P](c2ccccc2)(c2ccccc2)c2ccc3c(c2S(=O)(=O)O1)cccc3)([S](C)(=O)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: 10.7319 ± 0.0001 Å
• b: 9.7914 ± 0.0001 Å
• c: 24.6354 ± 0.0003 Å
• α: 90°
• β: 96.136 ± 0.001°
• γ: 90°
• Cell volume: 2573.87 ± 0.05 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No