Information card for entry 4061632

Structure parameters

• Formula: C21 H29 F3 N4 O4 Pd S
• Calculated formula: C21 H29 F3 N4 O4 Pd S
• SMILES: [Pd]12(c3c(NC(=[O]2)Nc2ccc(cc2)C)cccc3)[N](C)(C)CC[N]1(C)C.S(=O)(=O)([O-])C(F)(F)F
• 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: 11.4308 ± 0.0006 Å
• b: 36.692 ± 0.002 Å
• c: 12.6396 ± 0.0008 Å
• α: 90°
• β: 103.788 ± 0.004°
• γ: 90°
• Cell volume: 5148.5 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No