Information card for entry 4129595

Structure parameters

• Formula: C53 H32 F12 I2 N Ni O P
• Calculated formula: C53 H32 F12 I2 N Ni O P
• SMILES: c12C=[N]([Ni](c3ccccc3)(Oc1c(cc(c2)I)I)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cccc1c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Role of Radical Species in Salicylaldiminato Ni(II) Mediated Polymer Chain Growth: A Case Study for the Migratory Insertion Polymerization of Ethylene in the Presence of Methyl Methacrylate.
• Authors of publication: Ölscher, Franz; Göttker-Schnetmann, Inigo; Monteil, Vincent; Mecking, Stefan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 46
• Pages of publication: 14819 - 14828
• a: 10.6497 ± 0.0004 Å
• b: 20.1624 ± 0.0007 Å
• c: 22.5333 ± 0.0008 Å
• α: 90°
• β: 91.188 ± 0.003°
• γ: 90°
• Cell volume: 4837.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0427
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No