Information card for entry 4089486

Structure parameters

• Common name: E3 in manuscript
• Formula: C53 H57 B F24 Ni O2 P2
• Calculated formula: C53 H57 B F24 Ni O2 P2
• Title of publication: Mechanistic Details of the Nickel-Mediated Formation of Acrylates from CO2, Ethylene and Methyl Iodide
• Authors of publication: Plessow, Philipp N.; Weigel, Laura; Lindner, Ronald; Schäfer, Ansgar; Rominger, Frank; Limbach, Michael; Hofmann, Peter
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 11
• Pages of publication: 3327
• a: 12.6924 ± 0.0005 Å
• b: 18.3585 ± 0.0007 Å
• c: 25.7549 ± 0.001 Å
• α: 86.316 ± 0.001°
• β: 88.748 ± 0.001°
• γ: 88.911 ± 0.001°
• Cell volume: 5986.5 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1245
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1577
• 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: Yes
• Has Fobs: No