Information card for entry 4129596

Structure parameters

• Formula: C46 H62 N2 Ni2 O4
• Calculated formula: C46 H62 N2 Ni2 O4
• SMILES: c12c(cccc1C(C)(C)C)C=[N](c1c(cccc1C(C)C)C(C)C)[Ni]13(O2)[Ni]2([N](=Cc4c(O2)c(ccc4)C(C)(C)C)c2c(cccc2C(C)C)C(C)C)([OH]1)[OH]3
• 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: 12.4223 ± 0.0006 Å
• b: 12.8711 ± 0.0007 Å
• c: 14.3954 ± 0.0007 Å
• α: 109.099 ± 0.004°
• β: 93.475 ± 0.004°
• γ: 96.173 ± 0.004°
• Cell volume: 2151.1 ± 0.2 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: 0.0359
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No