Information card for entry 4027205

Structure parameters

• Formula: C37 H35 Cl6 N2 P Pd
• Calculated formula: C37 H35 Cl6 N2 P Pd
• SMILES: [Pd]1(Cl)(Cl)[P](c2c(C=[N]1N1[C@@H](CC[C@H]1c1ccccc1)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1.ClCCl.ClCCl
• Title of publication: Phosphino Hydrazones as Suitable Ligands in the Asymmetric Suzuki-Miyaura Cross-Coupling
• Authors of publication: Abel Ros; Beatriz Estepa; Antonio Bermejo; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 4740 - 4750
• a: 11.0806 ± 0.0006 Å
• b: 16.439 ± 0.0009 Å
• c: 11.2749 ± 0.0007 Å
• α: 90°
• β: 114.756 ± 0.001°
• γ: 90°
• Cell volume: 1865.03 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No