Information card for entry 4087298

Structure parameters

• Formula: C19 H37 F Ni P2
• Calculated formula: C19 H37 F Ni P2
• SMILES: C(C)[P](CC)(CC)[Ni]([P](CC)(CC)CC)(c1ccc(F)cc1)C
• 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: 8.7209 ± 0.0004 Å
• b: 9.1999 ± 0.0005 Å
• c: 14.9603 ± 0.0007 Å
• α: 96.243 ± 0.002°
• β: 96.832 ± 0.002°
• γ: 111.361 ± 0.002°
• Cell volume: 1094.78 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No