Information card for entry 4082563

Structure parameters

• Formula: C21 H17 Cl N2 O Pd
• Calculated formula: C21 H17 Cl N2 O Pd
• SMILES: [Pd]12([N]3=C(c4[n]1c(c1c2cccc1)ccc4)OC[C@@H]3Cc1ccccc1)Cl
• Title of publication: Chiral CNN Pincer Palladium(II) Complexes with 2-Aryl-6-(oxazolinyl)pyridine Ligands: Synthesis, Characterization, and Application to Enantioselective Allylation of Isatins and Suzuki‒Miyaura Coupling Reaction
• Authors of publication: Wang, Tao; Hao, Xin-Qi; Huang, Juan-Juan; Wang, Kai; Gong, Jun-Fang; Song, Mao-Ping
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 194
• a: 7.1915 ± 0.0002 Å
• b: 21.439 ± 0.0007 Å
• c: 12.2763 ± 0.0003 Å
• α: 90°
• β: 101.495 ± 0.003°
• γ: 90°
• Cell volume: 1854.78 ± 0.09 ų
• Cell temperature: 291 K
• Ambient diffraction temperature: 291 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: 0.0463
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No