Information card for entry 4519376

Structure parameters

• Formula: C32 H36 F6 N3 P Pd S
• Calculated formula: C32 H36 F6 N3 P Pd S
• SMILES: [Pd]1([N](=C(C(=[N]1c1c(cccc1C)C)C)C)c1c(cccc1C)C)(C)[N](=Cc1sccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Tunable “In-Chain” and “At the End of the Branches” Methyl Acrylate Incorporation in the Polyolefin Skeleton through Pd(II) Catalysis
• Authors of publication: Alberoni, Chiara; D’Alterio, Massimo C.; Balducci, Gabriele; Immirzi, Barbara; Polentarutti, Maurizio; Pellecchia, Claudio; Milani, Barbara
• Journal of publication: ACS Catalysis
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 3430 - 3443
• a: 20.3 ± 0.0019 Å
• b: 10.543 ± 0.003 Å
• c: 15.816 ± 0.002 Å
• α: 90°
• β: 109.54 ± 0.0012°
• γ: 90°
• Cell volume: 3190 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No