Information card for entry 4109726

Structure parameters

• Formula: C52 H48 Ni P4
• Calculated formula: C52 H48 Ni P4
• Title of publication: Methyl Transfer from Methylcobaloxime to (Triphos)Ni(PPh3): Relevance to the Mechanism of Acetyl Coenzyme A Synthase
• Authors of publication: Nathan A. Eckert; William G. Dougherty; Glenn P. A. Yap; Charles G. Riordan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 9286 - 9287
• a: 10.4849 ± 0.0018 Å
• b: 11.872 ± 0.002 Å
• c: 18.977 ± 0.004 Å
• α: 89.715 ± 0.014°
• β: 80.764 ± 0.012°
• γ: 67.58 ± 0.016°
• Cell volume: 2151.2 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0849
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No