Information card for entry 4064810

Structure parameters

• Formula: C34 H29 Cl N3 P Pd
• Calculated formula: C34 H29 Cl N3 P Pd
• SMILES: c12[Pd]3(Cl)[N]4=C(c2cccc1N[P]3(c1ccccc1)c1ccccc1)N(C[C@@H]4c1ccccc1)c1ccc(cc1)C
• 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: 11.8793 ± 0.0002 Å
• b: 12.50471 ± 0.00019 Å
• c: 20.1538 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2993.79 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0336
• Residual factor for significantly intense reflections: 0.0269
• 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: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No