Information card for entry 4022465

Structure parameters

• Formula: C32 H48 Cl2 N4 O2 Pd
• Calculated formula: C32 H48 Cl2 N4 O2 Pd
• Title of publication: N-Acylamidine Palladium(II) Complexes. Synthesis, Structures, and Catalytic Activity for Suzuki-Miyaura Cross-Coupling Reactions: Experiments and DFT Calculations
• Authors of publication: Jan K. Eberhardt; Roland Fröhlich; Ernst-Ulrich Würthwein
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 6690 - 6694
• a: 10.716 ± 0.001 Å
• b: 15.786 ± 0.001 Å
• c: 10.911 ± 0.001 Å
• α: 90°
• β: 111.56 ± 0.01°
• γ: 90°
• Cell volume: 1716.6 ± 0.2 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No