Information card for entry 4129598

Structure parameters

• Formula: C46 H60 N2 Ni O2
• Calculated formula: C46 H60 N2 Ni O2
• SMILES: c12c(cccc1C(C)(C)C)C=[N](c1c(cccc1C(C)C)C(C)C)[Ni]1([N](=Cc3c(c(ccc3)C(C)(C)C)O1)c1c(cccc1C(C)C)C(C)C)O2
• 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: 10.872 ± 0.0008 Å
• b: 12.2931 ± 0.0008 Å
• c: 16.0585 ± 0.0011 Å
• α: 90.736 ± 0.005°
• β: 102.802 ± 0.006°
• γ: 97.912 ± 0.005°
• Cell volume: 2070.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No