Information card for entry 1572946

Structure parameters

• Formula: C38 H34 N O5 P Pd S
• Calculated formula: C38 H34 N O5 P Pd S
• SMILES: [Pd]1([P](c2c(cccc2)c2c(OC)cccc2OC)(c2ccccc2)c2cc(ccc2S(=O)(=O)O1)c1ccccc1)([n]1ccccc1)C
• Title of publication: Enhanced mechanical properties of acrylate and 5-vinyl-2-norbornene-based ethylene terpolymers: rational design and synthesis using remotely modulated phosphine–sulfonate palladium complexes
• Authors of publication: Li, Yong-Qing; Cao, Gui-Ping; Cao, Yu-Cai
• Journal of publication: Polymer Chemistry
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 4662 - 4672
• a: 17.077 ± 0.003 Å
• b: 19.687 ± 0.004 Å
• c: 20.582 ± 0.004 Å
• α: 90 ± 0.03°
• β: 91.1 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 6918 ± 2 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 7
• 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: 0.3259
• Residual factor for significantly intense reflections: 0.1906
• Weighted residual factors for significantly intense reflections: 0.3829
• Weighted residual factors for all reflections included in the refinement: 0.4786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.438
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No