Information card for entry 4076331

Structure parameters

• Common name: (η^3^-Allyl)-{1-(2-picolyl)-3-(phenyl)-imidazolylidene-κ^2^ N,C}-nickel (II) tetrakis{3,5-bis(trifluoromethyl)phenyl}borate dichloromethane diethylether solvate
• Formula: C54 H40 B F24 N3 Ni O
• Calculated formula: C54 H40 B F24 N3 Ni O
• Title of publication: R-Allyl Nickel(II) Complexes with Chelating N-Heterocyclic Carbenes: Synthesis, Structural Characterization, and Catalytic Activity
• Authors of publication: Ben\?ítez Junquera, Lourdes; Puerta, M. Carmen; Valerga, Pedro
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 6
• Pages of publication: 2175
• a: 30.18 ± 0.006 Å
• b: 12.912 ± 0.003 Å
• c: 28.568 ± 0.006 Å
• α: 90°
• β: 93.67 ± 0.03°
• γ: 90°
• Cell volume: 11110 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1076
• Residual factor for significantly intense reflections: 0.0982
• Weighted residual factors for significantly intense reflections: 0.2305
• Weighted residual factors for all reflections included in the refinement: 0.2373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No