Information card for entry 7020952

Structure parameters

• Formula: C66 H84 B F20 N2 O12 Si7 Ta
• Calculated formula: C66 H84 B F20 N2 O12 Si7 Ta
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ta]162345(O[Si]2(CC(C)C)O[Si]3(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O6)O[Si](CC(C)C)(O[Si](CC(C)C)(O1)O3)O2)[N]#CC)C)C)C)C.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.N#CC
• 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: 14.324 ± 0.005 Å
• b: 14.832 ± 0.005 Å
• c: 19.356 ± 0.005 Å
• α: 102.447 ± 0.005°
• β: 90.694 ± 0.005°
• γ: 94.252 ± 0.005°
• Cell volume: 4003 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1189
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.2084
• Weighted residual factors for all reflections included in the refinement: 0.2439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No