Information card for entry 7113895

Structure parameters

• Common name: [Ni(eta3-C3H5)(eta6-C6H2O(Me)(tBu)2)](B(Ph(CF3)2)4x1.5CH2Cl2
• Formula: C51.5 H44 B Cl3 F24 Ni O
• Calculated formula: C51 H43 B Cl3.2 F24 Ni O
• Title of publication: η^6^-Arene complexes of Ni(II), efficient catalysts for 1,3-butadiene and styrene polymerization
• Authors of publication: Cámpora, Juan; del Mar Conejo, María; Reyes, Manuel L.; Mereiter, Kurt; Passaglia, Elisa
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 1
• Pages of publication: 78 - 79
• a: 13.807 ± 0.009 Å
• b: 13.981 ± 0.009 Å
• c: 17.466 ± 0.011 Å
• α: 95.84 ± 0.02°
• β: 101.41 ± 0.02°
• γ: 118.19 ± 0.02°
• Cell volume: 2838 ± 3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103634
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No