Information card for entry 4084551

Structure parameters

• Common name: [(ImH)DiPP(C2OMe)][NiCl3{ImDiPP(C2OMe)}],C7H8
• Formula: C43 H61 Cl3 N4 Ni O2
• Calculated formula: C43 H61 Cl3 N4 Ni O2
• Title of publication: Bis(ether-functionalized NHC) Nickel(II) Complexes,TranstoCisIsomerization Triggered by Water Coordination, and Catalytic Ethylene Oligomerization
• Authors of publication: Hameury, Sophie; de Frémont, Pierre; Breuil, Pierre-Alain R.; Olivier-Bourbigou, Hélène; Braunstein, Pierre
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2183
• a: 10.9713 ± 0.0005 Å
• b: 11.2882 ± 0.0004 Å
• c: 18.9057 ± 0.0009 Å
• α: 90.784 ± 0.003°
• β: 95.602 ± 0.002°
• γ: 107.298 ± 0.003°
• Cell volume: 2222.58 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1332
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No