Information card for entry 4066077

Structure parameters

• Common name: eisjz04
• Formula: C40.5 H39 Cl3 N2 O2 P2 Pd
• Calculated formula: C40.5 H39 Cl3 N2 O2 P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P@@]2(OC([C@H]3N2CCC3)(c2ccccc2)c2ccccc2)c2c([P@@]31OC([C@H]1N3CCC1)(c1ccccc1)c1ccccc1)cccc2.C(Cl)Cl
• Title of publication: Dicationic Palladium(II) Complexes as Active Lewis Acid Catalysts for Polarized Nazarov Cyclization
• Authors of publication: Zhang, Jing; Vaidya, Tulaza; Brennessel, William W.; Frontier, Alison J.; Eisenberg, Richard
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 15
• Pages of publication: 3341
• a: 10.6416 ± 0.0014 Å
• b: 24.796 ± 0.003 Å
• c: 15.569 ± 0.002 Å
• α: 90°
• β: 101.667 ± 0.002°
• γ: 90°
• Cell volume: 4023.3 ± 0.9 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0898
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No