Information card for entry 4125886

Structure parameters

• Formula: C20 H40 F12 Ni2 P4
• Calculated formula: C20 H40 F12 Ni2 P4
• Title of publication: Generation of Hydrofluoronickelacycles from Trifluoroethylene and Ni(0): Ligand Effects on Regio-/Stereoselectivity and Reactivity.
• Authors of publication: Giffin, Kaitie A.; Pua, Lorraine A.; Piotrkowski, Sarah; Gabidullin, Bulat M.; Korobkov, Ilia; Hughes, Russell P.; Baker, R. Tom
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 11
• Pages of publication: 4075 - 4086
• a: 15.4137 ± 0.0004 Å
• b: 9.8707 ± 0.0003 Å
• c: 11.2707 ± 0.0003 Å
• α: 90°
• β: 116.835 ± 0.0012°
• γ: 90°
• Cell volume: 1530.11 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No