Information card for entry 7117378

Structure parameters

• Common name: additional structure
• Formula: C39 H56 F2 O4 P2 Pd
• Calculated formula: C39 H56 F2 O4 P2 Pd
• Title of publication: Acrylate formation from CO2 and ethylene: catalysis with palladium and mechanistic insight
• Authors of publication: S. Chantal E. Stieber; Nuria Huguet; Takeharu Kageyama; Ivana Jevtovikj; Piyal Ariyananda; Alvaro Gordillo; Stephan A. Schunk; Frank Rominger; Peter Hofmann; Michael Limbach
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 10907
• a: 17.3557 ± 0.0015 Å
• b: 17.2752 ± 0.0014 Å
• c: 27.49 ± 0.002 Å
• α: 90°
• β: 106.717 ± 0.002°
• γ: 90°
• Cell volume: 7893.8 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.1376
• Residual factor for significantly intense reflections: 0.0936
• Weighted residual factors for significantly intense reflections: 0.1907
• Weighted residual factors for all reflections included in the refinement: 0.2158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No