Information card for entry 4107140

Structure parameters

• Formula: C31.5 H41.5 Cl N3 O2 Pd S
• Calculated formula: C31.5 H41.5 Cl N3 O2 Pd S
• Title of publication: Reversible Alkene Insertion into the Pd-N Bond of Pd(II)-Sulfonamidates and Implications for Catalytic Amidation Reactions
• Authors of publication: Paul B. White; Shannon S. Stahl
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 18594 - 18597
• a: 16.5787 ± 0.0003 Å
• b: 17.3242 ± 0.0004 Å
• c: 22.8168 ± 0.0005 Å
• α: 90°
• β: 106.406 ± 0.001°
• γ: 90°
• Cell volume: 6286.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0337
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No