Information card for entry 7020951

Structure parameters

• Common name: pg282
• Formula: C62 H78 B F20 O12 Si7 Ta
• Calculated formula: C62 H78 B F20 O12 Si7 Ta
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.[c]12([c]3([c]4([c]5([c]1(C)[Ta]162345O[Si]2(CC(C)C)O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O[Si](CC(C)C)(O1)O[Si](CC(C)C)(O2)O4)O[Si](CC(C)C)(O3)O6)C)C)C)C
• 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: 13.3982 ± 0.0017 Å
• b: 29.185 ± 0.004 Å
• c: 40.772 ± 0.005 Å
• α: 97.778 ± 0.007°
• β: 90.888 ± 0.008°
• γ: 92.306 ± 0.008°
• Cell volume: 15780 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1111
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No