Information card for entry 4064657

Structure parameters

• Formula: C73 H74 Cl2 N8 O4 Pd4
• Calculated formula: C73 H74 Cl2 N8 O4 Pd4
• Title of publication: Synthesis and Characterization of Imine-Palladacycles Containing Imidate “Pseudohalide” Ligands: Efficient Suzuki–Miyaura Cross-Coupling Precatalysts and Their Activation To Give Pd0LnSpecies (L = Phosphine)
• Authors of publication: Serrano, José Luis; García, Luis; Pérez, José; Pérez, Eduardo; García, Joaquín; Sánchez, Gregorio; Sehnal, Petr; De Ornellas, Sara; Williams, Thomas J.; Fairlamb, Ian J. S.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 19
• Pages of publication: 5095
• a: 16.0677 ± 0.001 Å
• b: 12.5702 ± 0.0008 Å
• c: 18.8993 ± 0.0011 Å
• α: 90°
• β: 94.35 ± 0.001°
• γ: 90°
• Cell volume: 3806.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.2419
• Weighted residual factors for all reflections included in the refinement: 0.2488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No