Information card for entry 7103781

Structure parameters

• Formula: C29.75 H32 F3 N O6 S Ti
• Calculated formula: C29.75 H32 F3 N O6 S Ti
• Title of publication: Synthesis, Structure and Catalytic Activity of an Air-Stable Titanium Triflate Supported by an Amine Tris(phenolate) Ligand.
• Authors of publication: S.D.Bull; M.G.Davidson; A.L.Johnson; D.E.E.Robinson; M.F.Mahon
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 10.134 ± 0.0002 Å
• b: 16.842 ± 0.0003 Å
• c: 18.201 ± 0.0004 Å
• α: 101.613 ± 0.001°
• β: 93.762 ± 0.001°
• γ: 95.259 ± 0.001°
• Cell volume: 3018.81 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No