Information card for entry 4303348

Structure parameters

• Formula: C99 H176 O27 Si14 Ti2
• Calculated formula: C98 H166 O27 Si14 Ti2
• Title of publication: Tripodal Tetrahedral Titanium Coordination in the Silica-Grafted Titania Epoxidation Catalysts: Is Not It Only a Myth? Selective Formation of [Cy7Si7O12Ti]2(μ-OR)2(μ-ROH) Cores on Thermal "Dissociation" of Alkoxytitanasilsesquioxanes
• Authors of publication: Olle Viotti; Gulaim A. Seisenbaeva; Vadim G. Kessler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9063 - 9065
• a: 17.087 ± 0.003 Å
• b: 25.441 ± 0.005 Å
• c: 14.559 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6329 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.186
• Residual factor for significantly intense reflections: 0.1327
• Weighted residual factors for significantly intense reflections: 0.2764
• Weighted residual factors for all reflections included in the refinement: 0.2954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No