Information card for entry 4119291

Structure parameters

• Formula: C52 H98 Ni2 P4
• Calculated formula: C52.006 H98.011 Ni2 P4.001
• Title of publication: Combined Experimental and Theoretical Study on the Reductive Cleavage of Inert C-O Bonds with Silanes: Ruling out a Classical Ni(0)/Ni(II) Catalytic Couple and Evidence for Ni(I) Intermediates
• Authors of publication: Josep Cornella; Enrique Gómez-Bengoa; Ruben Martin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 1997 - 2009
• a: 10.8043 ± 0.0011 Å
• b: 11.5139 ± 0.0011 Å
• c: 21.738 ± 0.002 Å
• α: 91.92 ± 0.003°
• β: 100.799 ± 0.003°
• γ: 99.856 ± 0.004°
• Cell volume: 2611.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No