Information card for entry 4087299

Structure parameters

• Formula: C19 H36 F2 Ni P2
• Calculated formula: C19 H36 F2 Ni P2
• SMILES: [Ni]([P](CC)(CC)CC)([P](CC)(CC)CC)(C)c1c(F)c(F)ccc1
• Title of publication: Influence of the Transmetalating Agent in Difficult Coupling Reactions: Control in the Selectivity of C‒F Bond Activation by Ni(0) Complexes in the Presence of AlMe3
• Authors of publication: Baird, Drake A.; Jamal, S.; Johnson, Samuel A.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 7
• Pages of publication: 1436
• a: 23.868 ± 0.002 Å
• b: 8.7008 ± 0.0007 Å
• c: 10.7163 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2225.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No