Information card for entry 7249936

Structure parameters

• Chemical name: Ti29KO39(OEt)38
• Formula: C76 H190 K O77 Ti29
• Calculated formula: C76 H190 K O77 Ti29
• Title of publication: Solid-phase synthesis of titanium-oxo clusters and their unprecedented catalytic performance in oxidative desulfurization of fuel oil
• Authors of publication: Liu, Xinchun; Yuan, Yanpeng; Fu, Jiawei; Kong, Yuqing; Sun, Yinyong; Li, Xiaolin; Qu, Nan
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 2995 - 3003
• a: 16.5381 ± 0.0009 Å
• b: 17.0084 ± 0.0009 Å
• c: 28.4386 ± 0.0016 Å
• α: 85.261 ± 0.003°
• β: 79.664 ± 0.003°
• γ: 68.022 ± 0.002°
• Cell volume: 7296.6 ± 0.7 ų
• Cell temperature: 298.3 K
• Ambient diffraction temperature: 298.3 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1844
• Weighted residual factors for all reflections included in the refinement: 0.2087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No