Information card for entry 4112519

Structure parameters

• Formula: C32 H36 F12 N P Pd S
• Calculated formula: C31 H35 F12 N P Pd S1.4
• Title of publication: Synthesis, Structure, and Reductive Elimination Chemistry of Three-Coordinate Arylpalladium Amido Complexes
• Authors of publication: Makoto Yamashita; John F. Hartwig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 5344 - 5345
• a: 12.301 ± 0.003 Å
• b: 12.824 ± 0.003 Å
• c: 14.038 ± 0.003 Å
• α: 63.3 ± 0.03°
• β: 67.09 ± 0.03°
• γ: 71.43 ± 0.03°
• Cell volume: 1794.3 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No