Information card for entry 4089483

Structure parameters

• Common name: B1 in manuscript
• Formula: C54.5 H60 B Cl F24 Ni O2 P2
• Calculated formula: C54.5 H60 B Cl 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: 12.9017 ± 0.0014 Å
• b: 20.347 ± 0.002 Å
• c: 25.577 ± 0.003 Å
• α: 70.864 ± 0.003°
• β: 86.826 ± 0.003°
• γ: 74.241 ± 0.003°
• Cell volume: 6100.6 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1651
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No