Information card for entry 7003436

Structure parameters

• Formula: C39 H61 B O3 Ti3
• Calculated formula: C39 H61 B O3 Ti3
• SMILES: C12[Ti]345678([c]9([c]3([c]4([c]5([c]69C)C)C)C)C)O[Ti]34561([c]1([c]3([c]4([c]5([c]61C)C)C)C)C)O[Ti]13452([c]2([c]5([c]4([c]3([c]12C)C)C)C)C)[O]7[B]1(C2CCCC1CCC2)[H]8
• Title of publication: Group 13 organoderivatives supported on a metallic oxide model
• Authors of publication: González-del Moral, Octavio; Hernán-Gómez, Alberto; Martín, Avelino; Mena, Miguel; Santamaría, Cristina
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 1
• Pages of publication: 44
• a: 11.313 ± 0.003 Å
• b: 19.171 ± 0.017 Å
• c: 19.088 ± 0.012 Å
• α: 90°
• β: 105.61 ± 0.03°
• γ: 90°
• Cell volume: 3987 ± 4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1341
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1785
• 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