Information card for entry 4072946

Structure parameters

• Common name: 8f-pyr x 1.5 c6h6
• Formula: C58 H51 N2 Ni O5
• Calculated formula: C58 H51 N2 Ni O5
• Title of publication: Substituent Effects in (κ2-N,O)-Salicylaldiminato Nickel(II)−Methyl Pyridine Polymerization Catalysts: Terphenyls Controlling Polyethylene Microstructures
• Authors of publication: Göttker-Schnetmann, Inigo; Wehrmann, Peter; Röhr, Caroline; Mecking, Stefan
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 9
• Pages of publication: 2348
• a: 10.116 ± 0.003 Å
• b: 15.276 ± 0.004 Å
• c: 16.317 ± 0.005 Å
• α: 85.398 ± 0.005°
• β: 80.664 ± 0.005°
• γ: 81.1 ± 0.006°
• Cell volume: 2454.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1403
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.682
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No