Information card for entry 4080529

Structure parameters

• Common name: 2,6-iPr2LNiCl2(CH3CN)
• Chemical name: acetonitrile dichloro(2,6-bis{1-[(2-isopropylphenyl)-imino]ethyl}pyridine)nickel(II)
• Formula: C29.5 H34.75 Cl2 N4.25 Ni
• Calculated formula: C29.5 H34 Cl2 N4.25 Ni
• Title of publication: Formation of Cationic Intermediates upon the Activation of Bis(imino)pyridine Nickel Catalysts
• Authors of publication: Antonov, Artem A.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 7
• Pages of publication: 2187
• a: 24.8348 ± 0.0012 Å
• b: 28.6396 ± 0.0012 Å
• c: 8.5557 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6085.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No