Information card for entry 4330066

Structure parameters

• Formula: C63 H76 Ga Li O4 Ti3
• Calculated formula: C63 H76 Ga Li O4 Ti3
• SMILES: C12[Ti]34567([c]8([c]6([c]5([c]4([c]38C)C)C)C)C)[O]3[Li]4([O](c5c(cccc5C)C)[Ga](c5ccccc5)(c5ccccc5)c5ccccc5)[O]7[Ti]56781([c]1([c]5([c]7([c]6([c]81C)C)C)C)C)[O]4[Ti]145623[c]2([c]1([c]4([c]5([c]62C)C)C)C)C.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: 13.1511 ± 0.0014 Å
• b: 13.6372 ± 0.0016 Å
• c: 17.017 ± 0.001 Å
• α: 87.179 ± 0.006°
• β: 81.662 ± 0.007°
• γ: 73.237 ± 0.01°
• Cell volume: 2891.2 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No