Information card for entry 4129597

Structure parameters

• Formula: C47 H50 N Ni O P
• Calculated formula: C47 H50 N Ni O P
• SMILES: c12O[Ni]([N](=Cc2cccc1C(C)(C)C)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 12.797 ± 0.0006 Å
• b: 17.3364 ± 0.0008 Å
• c: 17.6536 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3916.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No