Information card for entry 4061634

Structure parameters

• Formula: C39 H49 F3 N4 O5 Pd S
• Calculated formula: C39 H49 F3 N4 O5 Pd S
• SMILES: [Pd]12(C(=C(c3c(NC(=[O]1)Nc1ccc(cc1)C)cccc3)c1ccccc1)c1ccccc1)[N](CC[N]2(C)C)(C)C.S(=O)(=O)([O-])C(F)(F)F.CCOCC
• Title of publication: Synthesis and reactivity of ortho-palladated arylureas. Synthesis and catalytic activity of a C,N,C pincer complex. Stiochiometric syntheses of some N-heterocycles.
• Authors of publication: Vicente, José; Abad, José-Antonio; López, Joaquín; Jones, Peter G.; Nájera, Carmen; Botella-Segura, Luis
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 14.6886 ± 0.0012 Å
• b: 13.9976 ± 0.0012 Å
• c: 19.357 ± 0.0016 Å
• α: 90°
• β: 92.82 ± 0.003°
• γ: 90°
• Cell volume: 3975.1 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No