Information card for entry 1552310

Structure parameters

• Formula: C33 H30 N O4 P Pd S2
• Calculated formula: C33 H30 N O4 P Pd S2
• SMILES: [Pd]1(OS(=O)(=O)c2c([P]1(c1c(n3c4ccccc4c4ccccc34)cccc1)c1ccccc1)cccc2)([O]=S(C)C)C
• Title of publication: Ligand‒metal secondary interactions in phosphine‒sulfonate palladium and nickel catalyzed ethylene (co)polymerization
• Authors of publication: Tan, Chen; Qasim, Muhammad; Pang, Wenmin; Chen, Changle
• Journal of publication: Polymer Chemistry
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 411 - 416
• a: 10.11 ± 0.0009 Å
• b: 12.7449 ± 0.0011 Å
• c: 14.2331 ± 0.0012 Å
• α: 85.456 ± 0.002°
• β: 75.679 ± 0.001°
• γ: 87.617 ± 0.003°
• Cell volume: 1770.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1981
• Residual factor for significantly intense reflections: 0.1027
• Weighted residual factors for significantly intense reflections: 0.2199
• Weighted residual factors for all reflections included in the refinement: 0.2451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No