Information card for entry 4119295

Structure parameters

• Formula: C46 H73 Cl Ni P2
• Calculated formula: C46 H73 Cl Ni P2
• 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: 22.202 ± 0.006 Å
• b: 10.251 ± 0.003 Å
• c: 19.971 ± 0.006 Å
• α: 90°
• β: 109.863 ± 0.011°
• γ: 90°
• Cell volume: 4275 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No