Information card for entry 4111239

Structure parameters

• Common name: Ta di-butyl complex
• Chemical name: Ta di-butyl complex
• Formula: C26 H50 N2 Ta
• Calculated formula: C26 H50 N2 Ta
• Title of publication: High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations
• Authors of publication: Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 16052 - 16053
• a: 8.5903 ± 0.0004 Å
• b: 9.6055 ± 0.0004 Å
• c: 17.5663 ± 0.0007 Å
• α: 87.269 ± 0.001°
• β: 88.737 ± 0.001°
• γ: 68.34 ± 0.001°
• Cell volume: 1345.58 ± 0.1 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0199
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0445
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No