Information card for entry 4112516

Structure parameters

• Formula: C35 H40 F12 N O P Pd
• Calculated formula: C35 H40 F12 N O P Pd
• 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: 19.969 ± 0.004 Å
• b: 18.076 ± 0.004 Å
• c: 21.147 ± 0.004 Å
• α: 90°
• β: 105.17 ± 0.03°
• γ: 90°
• Cell volume: 7367 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1292
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No