Information card for entry 4065971

Structure parameters

• Formula: C35 H30 Cl N2 O2 P Pd
• Calculated formula: C35 H30 Cl N2 O2 P Pd
• SMILES: Cl[Pd]12c3c(O[P]1(c1ccccc1)c1ccccc1)cccc3C1=N2[C@H](CN1c1ccc(OC)cc1)Cc1ccccc1
• Title of publication: Unsymmetrical Chiral PCN Pincer Palladium(II) and Nickel(II) Complexes of (Imidazolinyl)aryl Phosphinite Ligands: Synthesis via Ligand C−H Activation, Crystal Structures, and Catalytic Studies
• Authors of publication: Zhang, Ben-Shang; Wang, Wei; Shao, Dan-Dan; Hao, Xin-Qi; Gong, Jun-Fang; Song, Mao-Ping
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 2579
• a: 9.3781 ± 0.0019 Å
• b: 29.462 ± 0.006 Å
• c: 11.912 ± 0.002 Å
• α: 90°
• β: 104.92 ± 0.03°
• γ: 90°
• Cell volume: 3180.3 ± 1.1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No