Information card for entry 4100756

Structure parameters

• Formula: C25 H38 F3 O3 P Pd S
• Calculated formula: C25 H38 F3 O3 P Pd S
• SMILES: [Pd]([P](C12CC3CC(C1)CC(C2)C3)(C(C)(C)C)C(C)(C)C)(OS(=O)(=O)C(F)(F)F)c1ccccc1
• Title of publication: Synthesis, Structure, Theoretical Studies, and Ligand Exchange Reactions of Monomeric, T-Shaped Arylpalladium(II) Halide Complexes with an Additional, Weak Agostic Interaction
• Authors of publication: James P. Stambuli; Christopher D. Incarvito; Michael Bühl; John F. Hartwig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 1184 - 1194
• a: 9.933 ± 0.009 Å
• b: 16.926 ± 0.016 Å
• c: 16.484 ± 0.015 Å
• α: 90°
• β: 105.77 ± 0.02°
• γ: 90°
• Cell volume: 2667 ± 4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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