Information card for entry 7117377

Structure parameters

• Common name: 5 in manuscript
• Formula: C31.5 H56 O2 P2 Pd
• Calculated formula: C31.5 H56 O2 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: 28.266 ± 0.002 Å
• b: 13.8216 ± 0.0011 Å
• c: 18.2436 ± 0.0014 Å
• α: 90°
• β: 118.016 ± 0.002°
• γ: 90°
• Cell volume: 6292.2 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No