Information card for entry 4111228

Structure parameters

• Formula: C22 H41 N2 Ta
• Calculated formula: C22 H41 N2 Ta
• SMILES: [Ta]12345(=CC)(N(C(=[N]1C(C)C)C)C(C)C)([c]1([c]3([c]4([c]5([c]21C)C)C)C)C)CC
• 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: 10.5531 ± 0.0017 Å
• b: 13.779 ± 0.002 Å
• c: 16.341 ± 0.003 Å
• α: 90°
• β: 106.552 ± 0.003°
• γ: 90°
• Cell volume: 2277.7 ± 0.6 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.0394
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No