Information card for entry 7020949

Structure parameters

• Formula: C39 H81 O12 Si7 Ta
• Calculated formula: C39 H81 O12 Si7 Ta
• SMILES: C[Ta]123456([c]7([c]1([c]2([c]3([c]47C)C)C)C)C)O[Si]1(CC(C)C)O[Si]2(CC(C)C)O[Si](CC(C)C)(O5)O[Si]3(CC(C)C)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O1)O[Si](CC(C)C)(O6)O3
• Title of publication: Synthesis and characterization of tantalum silsesquioxane complexes.
• Authors of publication: Guillo, Pascal; Fasulo, Meg E.; Lipschutz, Michael I.; Tilley, T. Don
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 6
• Pages of publication: 1991 - 1995
• a: 10.4766 ± 0.0007 Å
• b: 11.7685 ± 0.0007 Å
• c: 22.126 ± 0.0015 Å
• α: 78.832 ± 0.003°
• β: 79.71 ± 0.003°
• γ: 79.243 ± 0.003°
• Cell volume: 2600.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0249
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No