Information card for entry 4066594

Structure parameters

• Formula: C24 H22 N2 O4 Pd2
• Calculated formula: C24 H22 N2 O4 Pd2
• SMILES: C12[Pd]3([N](=C(C=C(O3)C)C)c3c1cccc3)[O]=C1c3c([N]4=C(C=C(=[O][Pd]14[O]=2)C)C)cccc3
• Title of publication: Reactivity ofortho-β-Enaminone-phenyl Palladium Complexes. Insertion of CO into the Pd−C Bond to Give the First Acyl C,N,O-Pincer Complexes. Sequential Insertion of Dimethylacetylenedicarboxylate into the Enaminone C−H Bond and of Isocyanide into the Pd−C Bond. A New Photooxigenation/Cyclization Process†
• Authors of publication: Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Abellán-López, Antonio; Bautista, Delia
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5693
• a: 10.4757 ± 0.0008 Å
• b: 16.1086 ± 0.0012 Å
• c: 24.6965 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4167.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F 2 d d
• Hall space group symbol: F -2d 2
• Residual factor for all reflections: 0.0158
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.0412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No