Information card for entry 4330064

Structure parameters

• Formula: C31 H46 O3 Ti3
• Calculated formula: C31 H46 O3 Ti3
• Title of publication: Co-complexation of Lithium Gallates on the Titanium Molecular Oxide {[Ti(η5-C5Me5)(μ-O)}3(μ3-CH)]
• Authors of publication: María Gómez-Pantoja; Pilar Gómez-Sal; Alberto Hernán-Gómez; Avelino Martín; Miguel Mena; Cristina Santamaría
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8964 - 8972
• a: 11.75 ± 0.002 Å
• b: 19.208 ± 0.003 Å
• c: 13.722 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3097 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No