Information card for entry 4322711

Structure parameters

• Formula: C20 H42 O8 Ti2
• Calculated formula: C20 H42 O8 Ti2
• Title of publication: X-ray Structure and Raman Spectrum of [Ti4(μ3-O)2(μ2-OiPr)2(OiPr)8(acac)2]: Presence of a Ti4(μ3-O)2(μ2-OiPr)2 Ladder-like Core
• Authors of publication: Paul D. Moran; Clifton E. F. Rickard; Graham A. Bowmaker; Ralph P. Cooney; John R. Bartlett; James L. Woolfrey
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 1417 - 1419
• a: 12.056 ± 0.004 Å
• b: 15.846 ± 0.002 Å
• c: 14.758 ± 0.002 Å
• α: 90 ± 0.01°
• β: 105.19 ± 0.02°
• γ: 90 ± 0.02°
• Cell volume: 2720.9 ± 1.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.1248
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections: 0.2431
• Weighted residual factors for significantly intense reflections: 0.1928
• Goodness-of-fit parameter for all reflections: 1.062
• Goodness-of-fit parameter for significantly intense reflections: 1.067
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No