Information card for entry 4109343

Structure parameters

• Formula: C39.5 H55 F6 N P2 Ti
• Calculated formula: C39.5 H54.5 F6 N P2 Ti
• Title of publication: Intermolecular Activation of C-X (X = H, O, F) Bonds by a Ti\τbCtBu Linkage
• Authors of publication: Brad C. Bailey; John C. Huffman; Daniel J. Mindiola
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 5302 - 5303
• a: 11.9914 ± 0.0011 Å
• b: 12.9183 ± 0.0012 Å
• c: 14.0469 ± 0.0013 Å
• α: 75.355 ± 0.002°
• β: 80.673 ± 0.002°
• γ: 78.61 ± 0.002°
• Cell volume: 2049.4 ± 0.3 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 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: 0.0787
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No