Information card for entry 4065987

Structure parameters

• Formula: C47 H58 Cl6 N2 O8 Pd3
• Calculated formula: C47 H58 Cl6 N2 O8 Pd3
• 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: 12.0424 ± 0.0007 Å
• b: 12.0854 ± 0.0007 Å
• c: 12.3343 ± 0.0007 Å
• α: 100.133 ± 0.001°
• β: 112.845 ± 0.001°
• γ: 113.268 ± 0.001°
• Cell volume: 1400.06 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No