Information card for entry 4065286

Structure parameters

• Formula: C30 H29 F3 O3.5 P Pd S
• Calculated formula: C30 H29 F3 O3.5 P Pd S
• Title of publication: Direct Observation of Gold/Palladium Transmetalation in an Organogold Heck Reaction
• Authors of publication: Roth, Katrina E.; Blum, Suzanne A.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 18
• Pages of publication: 4811
• a: 10.0441 ± 0.0006 Å
• b: 12.2319 ± 0.0008 Å
• c: 12.793 ± 0.0008 Å
• α: 105.86 ± 0.0006°
• β: 104.547 ± 0.0006°
• γ: 100.932 ± 0.0006°
• Cell volume: 1406 ± 0.15 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0242
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No