Information card for entry 4063925

Structure parameters

• Formula: C60 H46 F12 N8 O21 Pd4 S4
• Calculated formula: C60 H46 F12 N8 O21 Pd4 S4
• Title of publication: Oxidatively Resistant Ligands for Palladium-Catalyzed Aerobic Alcohol Oxidation
• Authors of publication: Pearson, David M.; Conley, Nicholas R.; Waymouth, Robert M.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1445
• a: 20.297 ± 0.006 Å
• b: 12.578 ± 0.003 Å
• c: 27.358 ± 0.007 Å
• α: 90°
• β: 98.985 ± 0.004°
• γ: 90°
• Cell volume: 6899 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No