Information card for entry 4121483

Structure parameters

• Formula: C28 H30 Cl2 F N3 O2 Pd S
• Calculated formula: C28 H30 Cl2 F N3 O2 Pd S
• Title of publication: Competition between sp(3)-C-N vs sp(3)-C-F Reductive Elimination from Pd(IV) Complexes.
• Authors of publication: Pérez-Temprano, Mónica H; Racowski, Joy M.; Kampf, Jeff W.; Sanford, Melanie S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 11
• Pages of publication: 4097 - 4100
• a: 8.7508 ± 0.0002 Å
• b: 13.0966 ± 0.0002 Å
• c: 13.8038 ± 0.001 Å
• α: 113.119 ± 0.008°
• β: 90.846 ± 0.006°
• γ: 107.26 ± 0.007°
• Cell volume: 1373.82 ± 0.16 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 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: 0.0307
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No