Information card for entry 7050737

Structure parameters

• Formula: C18 H14 F6 N2 O4 Pd
• Calculated formula: C18 H14 F6 N2 O4 Pd
• SMILES: [Pd]1([n]2c(C=[N]1c1c(C)cccc1C)cccc2)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F
• Title of publication: Bis-alkoxycarbonylation of styrene by pyridinimine palladium catalysts
• Authors of publication: Bianchini, C.; Lee, H.M.; Mantovani, Giuseppe; Meli, Andrea; Oberhauser, Werner
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• a: 9.383 ± 0.003 Å
• b: 9.774 ± 0.002 Å
• c: 11.585 ± 0.002 Å
• α: 85.9 ± 0.02°
• β: 89.74 ± 0.02°
• γ: 70.79 ± 0.02°
• Cell volume: 1000.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1755
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No