Information card for entry 1574928

Structure parameters

• Chemical name: (α,α'-Bis[(<i>tert</i>-butyl)(6-methoxypyridin-2-yl)phosphino]-<i>o</i>-xylene}(η^2^-<i>N</i>-methylmaleinimide)palladium(0) toluene hemisolvate
• Formula: C36.5 H47 N3 O4 P2 Pd
• Calculated formula: C36.5 H47 N3 O4 P2 Pd
• Title of publication: {α,α′-Bis[(tert-butyl)(6-methoxypyridin-2-yl)phosphino]-o-xylene}(η2-N-methylmaleinimide)palladium(0) toluene hemisolvate
• Authors of publication: Müller, Stefan; Spannenberg, Anke; Neumann, Helfried; Franke, Robert; Beller, Matthias
• Journal of publication: IUCrData
• Year of publication: 2025
• Journal volume: 10
• Journal issue: 6
• Pages of publication: x250508
• a: 9.5548 ± 0.0002 Å
• b: 10.702 ± 0.0003 Å
• c: 18.4654 ± 0.0005 Å
• α: 74.0508 ± 0.001°
• β: 86.9998 ± 0.001°
• γ: 76.0888 ± 0.0009°
• Cell volume: 1762.06 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No