Information card for entry 1511914

Structure parameters

• Formula: C10 H24 F6 O10 Pd S6
• Calculated formula: C10 H24 F6 O10 Pd S6
• SMILES: [Pd]([S](=O)(C)C)([S](=O)(C)C)([O]=S(C)C)[O]=S(C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Ligand- and Base-Free Pd(II)-Catalyzed Controlled Switching between Oxidative Heck and Conjugate Addition Reactions.
• Authors of publication: Walker, Sarah E.; Boehnke, Julian; Glen, Pauline E.; Levey, Steven; Patrick, Lisa; Jordan-Hore, James A; Lee, Ai-Lan
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 1886 - 1889
• a: 8.6136 ± 0.0004 Å
• b: 8.6555 ± 0.0004 Å
• c: 17.198 ± 0.0008 Å
• α: 100.351 ± 0.003°
• β: 95.827 ± 0.003°
• γ: 102.234 ± 0.003°
• Cell volume: 1219.62 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No