Information card for entry 4107904

Structure parameters

• Formula: C34 H28 Cl N3 Pd
• Calculated formula: C34 H28 Cl N3 Pd
• SMILES: [Pd]1([N]2=C3C(=[N]1c1ccccc1CCc1nc(ccc1)CCc1ccccc21)c1cccc2cccc3c12)(Cl)C
• Title of publication: Axial Donating Ligands: A New Strategy for Late Transition Metal Olefin Polymerization Catalysis
• Authors of publication: Dennis H. Leung; Joseph W. Ziller; Zhibin Guan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 7538 - 7539
• a: 12.1681 ± 0.0012 Å
• b: 12.2662 ± 0.0012 Å
• c: 12.3904 ± 0.0012 Å
• α: 67.212 ± 0.002°
• β: 81.112 ± 0.002°
• γ: 78.737 ± 0.002°
• Cell volume: 1665.8 ± 0.3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1925
• Weighted residual factors for all reflections included in the refinement: 0.1966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No