Information card for entry 1514596

Structure parameters

• Formula: C60.5 H52 Cl7 N O3 P2 Pd S
• Calculated formula: C60.4998 H51.9996 Cl6.9996 N O3 P2 Pd S
• Title of publication: Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions.
• Authors of publication: Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L.
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 916 - 920
• a: 13.9763 ± 0.0014 Å
• b: 20.426 ± 0.002 Å
• c: 21.29 ± 0.002 Å
• α: 75.424 ± 0.002°
• β: 85.472 ± 0.002°
• γ: 76.307 ± 0.002°
• Cell volume: 5713.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No