Information card for entry 7020353

Structure parameters

• Formula: C64 H62 B F24 N2 Ni O P
• Calculated formula: C64 H62 B F24 N2 Ni O P
• SMILES: [Ni]1([P](OC(=[N]1c1c(cccc1C(C)C)C(C)C)C)(C(C)C)C(C)C)([N]#CC)CC(C)(C)c1ccccc1.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Migratory insertion reactions of nickel and palladium σ-alkyl complexes with a phosphinito-imine ligand.
• Authors of publication: Ortiz de la Tabla, Laura; Matas, Inmaculada; Alvarez, Eleuterio; Palma, Pilar; Cámpora, Juan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 48
• Pages of publication: 14524 - 14539
• a: 12.2661 ± 0.0001 Å
• b: 20.4994 ± 0.0002 Å
• c: 27.7574 ± 0.0003 Å
• α: 103.186 ± 0.001°
• β: 92.161 ± 0.0009°
• γ: 102.916 ± 0.001°
• Cell volume: 6594.59 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No