Information card for entry 4115804

Structure parameters

• Common name: tris(salicylato)titanium(IV)
• Chemical name: (salicylato-O,O')-bis((2-carboxylato)-phenolato)-titanium(IV)1-butanol solvate
• Formula: C29 H34 O11 Ti
• Calculated formula: C29 H21 O11 Ti
• Title of publication: Synthesis and Molecular Structures of Some New Titanium(IV) Aryloxides
• Authors of publication: Karine Gigant; Adel Rammal; Marc Henry
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 11632 - 11637
• a: 14.266 ± 0.0004 Å
• b: 13.224 ± 0.0007 Å
• c: 15.847 ± 0.0007 Å
• α: 90°
• β: 100.699 ± 0.003°
• γ: 90°
• Cell volume: 2937.6 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• 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: 0.111
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections: 1.688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.548
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No