Information card for entry 4330065

Structure parameters

• Formula: C55 H67 Ga O3 Ti3
• Calculated formula: C55 H67 Ga O3 Ti3
• SMILES: C12[Ti]34567([c]8([c]3([c]4([c]5([c]68C)C)C)C)C)[O]([Ga](c3ccccc3)(c3ccccc3)c3ccccc3)[Ti]34561([c]1([c]6([c]5([c]4([c]31C)C)C)C)C)O[Ti]13452([c]2([c]1([c]3([c]4([c]52C)C)C)C)C)O7.c1ccccc1
• 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: 11.129 ± 0.001 Å
• b: 20.839 ± 0.005 Å
• c: 22 ± 0.006 Å
• α: 90°
• β: 99.34 ± 0.014°
• γ: 90°
• Cell volume: 5034.5 ± 1.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.1192
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.2109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No