Information card for entry 4073723

Structure parameters

• Common name: Cp*W(NO)(eta2-OCiPr2)(PPh3).THF
• Formula: C39 H50 N O3 P W
• Calculated formula: C39 H50 N O3 P W
• Title of publication: Investigations Directed at Catalytic Carbon−Carbon and Carbon−Oxygen Bond Formation via C−H Bond Activation
• Authors of publication: Blackmore, Ian J.; Semiao, Christopher J.; Buschhaus, Miriam S. A.; Patrick, Brian O.; Legzdins, Peter
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 20
• Pages of publication: 4881
• a: 11.323 ± 0.002 Å
• b: 12.829 ± 0.002 Å
• c: 13.41 ± 0.002 Å
• α: 89.345 ± 0.005°
• β: 76.52 ± 0.004°
• γ: 74.479 ± 0.004°
• Cell volume: 1822.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0377
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No