Information card for entry 4101557

Structure parameters

• Formula: C27 H47 O3 P2 Te W
• Calculated formula: C27 H47 O3 P2 Te W
• Title of publication: Comparison of thermodynamic and kinetic aspects of oxidative addition of PhE-EPh (E = S, Se, Te) to Mo(CO)3(PR3)2, W(CO)3(PR3)2, and Mo(N[tBu]Ar)3 complexes. The role of oxidation state and ancillary ligands in metal complex induced chalcogenyl radical generation.
• Authors of publication: McDonough, James E; Weir, John J; Sukcharoenphon, Kengkaj; Hoff, Carl D; Kryatova, Olga P; Rybak-Akimova, Elena V; Scott, Brian L; Kubas, Gregory J; Mendiratta, Arjun; Cummins, Christopher C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 31
• Pages of publication: 10295 - 10303
• a: 12.154 ± 0.005 Å
• b: 16.218 ± 0.007 Å
• c: 16.684 ± 0.007 Å
• α: 75.872 ± 0.006°
• β: 79.373 ± 0.008°
• γ: 89.993 ± 0.008°
• Cell volume: 3131 ± 2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No