Information card for entry 4065988

Structure parameters

• Formula: C41 H48 Cl2 N2 O4 Pd2
• Calculated formula: C41 H48 Cl2 N2 O4 Pd2
• SMILES: c12c(ccc(c1[Pd]1([N](=C2)c2c(cc(cc2C)C)C)[O]=C(C)O[Pd]2(c3c(c(ccc3C)C)C=[N]2c2c(cc(cc2C)C)C)[O]=C(C)O1)C)C.C(Cl)Cl
• Title of publication: Versatile Behavior of the Schiff Base Ligand 2,5-Me2C6H3C(H)═N(2,4,6-Me3C6H2) toward Cyclometalation Reactions: C(sp2,phenyl)−H vs C(sp3,methyl)−H Activation
• Authors of publication: Vázquez-García, Digna; Fernández, Alberto; López-Torres, Margarita; Rodríguez, Antonio; Gómez-Blanco, Nina; Viader, Carlos; Vila, José M.; Fernández, Jesús J.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 15
• Pages of publication: 3303
• a: 20.998 ± 0.005 Å
• b: 17.398 ± 0.005 Å
• c: 23.026 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 8412 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No