Information card for entry 7712051

Structure parameters

• Formula: C34 H35 B Cl6 F7 Ni O P S
• Calculated formula: C34 H35 B Cl6 F7 Ni O P S
• SMILES: [Ni]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([S](C(C)(CC(=[O]1)C)C)C)c1ccccc1C(F)(F)F.ClC(Cl)Cl.F[B](F)(F)[F-].ClC(Cl)Cl
• Title of publication: Multifaceted role of silver salts as ligand scavengers and different behavior of nickel and palladium complexes: beyond halide abstraction.
• Authors of publication: Pérez-Ortega, Ignacio; Albéniz, Ana C
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1425 - 1432
• a: 16.7171 ± 0.0006 Å
• b: 14.3676 ± 0.0006 Å
• c: 37.0248 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8892.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• 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: 0.1476
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.2418
• Weighted residual factors for all reflections included in the refinement: 0.2851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No