Information card for entry 4065985

Structure parameters

• Formula: C36 H41 Cl2 N2 O0.5 Pd2
• Calculated formula: C36 H41 Cl2 N2 O0.5 Pd2
• 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: 29.948 ± 0.005 Å
• b: 29.948 ± 0.005 Å
• c: 10.397 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8076 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No