Information card for entry 4063454

Structure parameters

• Formula: C27.5 H28 F3 N2 O8.5 Pd S
• Calculated formula: C27.5 H25 F3 N2 O8.5 Pd S
• Title of publication: Carbopalladation of Maleate and Fumarate Esters and 1,1-Dimethylallene with Ortho-Substituted Aryl Palladium Complexes
• Authors of publication: Vicente, José; Abad, José Antonio; López-Sáez, María-José; Jones, Peter G.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 2
• Pages of publication: 409
• a: 9.362 ± 0.0008 Å
• b: 11.3529 ± 0.0011 Å
• c: 14.6379 ± 0.0014 Å
• α: 99.933 ± 0.004°
• β: 90.461 ± 0.004°
• γ: 109.265 ± 0.004°
• Cell volume: 1443.1 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No