Information card for entry 1567962

Structure parameters

• Formula: C37 H60 Cl2 P2 Pd
• Calculated formula: C37 H60 Cl2 P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P](C1([P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1)c1ccccc1)(C1CCCCC1)C1CCCCC1
• Title of publication: Formation of exceptional monomeric YPhos–PdCl2 complexes with high activities in coupling reactions
• Authors of publication: Rodstein, Ilja; Kelling, Leif; Löffler, Julian; Scherpf, Thorsten; Sarbajna, Abir; Andrada, Diego M.; Gessner, Viktoria H.
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 19.1244 ± 0.0002 Å
• b: 10.5054 ± 0.0001 Å
• c: 17.9999 ± 0.0002 Å
• α: 90°
• β: 94.926 ± 0.001°
• γ: 90°
• Cell volume: 3602.99 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No