Information card for entry 4132518

Structure parameters

• Formula: C56 H102 Ni2 O8 P2
• Calculated formula: C56 H102 Ni2 O8 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: 10.9948 ± 0.0005 Å
• b: 11.8656 ± 0.0005 Å
• c: 12.9686 ± 0.0006 Å
• α: 67.3623 ± 0.0009°
• β: 76.229 ± 0.001°
• γ: 70.3121 ± 0.0011°
• Cell volume: 1458.77 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0337
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No