Information card for entry 4111234

Structure parameters

• Chemical name: Tantalum methyl neopentyl
• Formula: C23 H43 Cl N2 Ta
• Calculated formula: C23 H43 Cl N2 Ta
• SMILES: [Ta]12345(Cl)([N](=C(N1C(C)C)C)C(C)C)(CC(C)(C)C)[c]1([c]2([c]5([c]4([c]31C)C)C)C)C
• 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: 9.1356 ± 0.0014 Å
• b: 14.719 ± 0.002 Å
• c: 18.008 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2421.5 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0594
• 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: No
• Has Fobs: No