Information card for entry 4132517

Structure parameters

• Formula: C51 H82 Ni2 O2 P2
• Calculated formula: C51 H82 Ni2 O2 P2
• Title of publication: Intermediacy of Ni-Ni Species in sp² C-O Bond Cleavage of Aryl Esters: Relevance in Catalytic C-Si Bond Formation.
• Authors of publication: Somerville, Rosie J.; Hale, Lillian V. A.; Gómez-Bengoa, Enrique; Burés, Jordi; Martin, Ruben
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 28
• Pages of publication: 8771 - 8780
• a: 32.625 ± 0.002 Å
• b: 9.9735 ± 0.0007 Å
• c: 28.5895 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9302.6 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.204
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No