Information card for entry 4087296

Structure parameters

• Formula: C19 H37 F Ni P2
• Calculated formula: C19 H37 F Ni P2
• SMILES: [Ni]([P](CC)(CC)CC)([P](CC)(CC)CC)(C)c1c(F)cccc1
• 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: 8.9294 ± 0.0005 Å
• b: 9.026 ± 0.0005 Å
• c: 15.6529 ± 0.0008 Å
• α: 104.318 ± 0.002°
• β: 95.468 ± 0.002°
• γ: 112.444 ± 0.002°
• Cell volume: 1104.15 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1149
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No