Information card for entry 7712050

Structure parameters

• Formula: C50 H2 F6 Ni2 O2 P2
• Calculated formula: C50 H2 F6 Ni2 O2 P2
• SMILES: [Ni]12([Ni]([P](c3ccccc3)(c3ccccc3)c3ccccc3)([OH]1)([OH]2)c1c(cccc1)C(F)(F)F)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F
• 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: 13.0312 ± 0.001 Å
• b: 13.154 ± 0.0013 Å
• c: 14.7181 ± 0.0006 Å
• α: 81.84 ± 0.005°
• β: 86.385 ± 0.005°
• γ: 63.64 ± 0.009°
• Cell volume: 2237.7 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.1539
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.2273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No