Information card for entry 4064812

Structure parameters

• Formula: C50 H51 Cl7 N4 Pd
• Calculated formula: C50 H50 Cl7 N4 Pd
• SMILES: [Pd]12(c3c(C4=[N]1[C@H]([C@@H](N4C1CCCCC1)c1ccccc1)c1ccccc1)cccc3C1=[N]2[C@H]([C@@H](N1C1CCCCC1)c1ccccc1)c1ccccc1)Cl.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Unsymmetrical Chiral PCN Pincer Palladium(II) and Nickel(II) Complexes with Aryl-Based Aminophosphine‒Imidazoline Ligands: Synthesis via Aryl C‒H Activation and Asymmetric Addition of Diarylphosphines to Enones
• Authors of publication: Yang, Ming-Jun; Liu, Yan-Jing; Gong, Jun-Fang; Song, Mao-Ping
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 14
• Pages of publication: 3793
• a: 10.15541 ± 0.00009 Å
• b: 15.93322 ± 0.00013 Å
• c: 33.9567 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5494.48 ± 0.08 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.1888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No