Information card for entry 4106767

Structure parameters

• Formula: C40 H53 K N2 O8 W
• Calculated formula: C40 H53 K N2 O8 W
• Title of publication: Comproportionation of Cationic and Anionic Tungsten Complexes Having an N-Heterocyclic Carbene Ligand To Give the Isolable 17-Electron Tungsten Radical CpW(CO)2(IMes).
• Authors of publication: John A. S. Roberts; James A. Franz; Edwin F. van der Eide; Eric D. Walter; Jeffrey L. Petersen; Daniel L. DuBois; R. Morris Bullock
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 14593 - 14603
• a: 8.5834 ± 0.0005 Å
• b: 24.881 ± 0.002 Å
• c: 19.4952 ± 0.0015 Å
• α: 90°
• β: 95.021 ± 0.001°
• γ: 90°
• Cell volume: 4147.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No