Information card for entry 4111233

Structure parameters

• Formula: C22 H41 Cl N2 Ta
• Calculated formula: C22 H41 Cl N2 Ta
• SMILES: [Ta]12345(Cl)([c]6([c]4([c]3([c]2([c]16C)C)C)C)C)([N](=C(N5C(C)C)C)C(C)C)CC(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: 9.0897 ± 0.001 Å
• b: 14.4865 ± 0.0016 Å
• c: 17.822 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2346.8 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0486
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0812
• 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