Information card for entry 4104960

Structure parameters

• Formula: C32 H21 Cl F12 I2 N Ni O P
• Calculated formula: C32 H21 Cl F12 I2 N Ni O P
• SMILES: Ic1cc(I)c2O[Ni]([N](c3c(cccc3c3cc(cc(C(F)(F)F)c3)C(F)(F)F)c3cc(C(F)(F)F)cc(c3)C(F)(F)F)=Cc2c1)(Cl)[P](C)(C)C
• Title of publication: Mechanistic Insights on the Copolymerization of Polar Vinyl Monomers with Neutral Ni(II) Catalysts
• Authors of publication: Andreas Berkefeld; Matthias Drexler; Heiko M. Möller; Stefan Mecking
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 12613 - 12622
• a: 12.86 ± 0.0009 Å
• b: 14.4333 ± 0.0006 Å
• c: 19.2986 ± 0.0013 Å
• α: 90°
• β: 101.673 ± 0.005°
• γ: 90°
• Cell volume: 3508 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• 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: 0.0692
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No