Information card for entry 4111229

Structure parameters

• Formula: C26 H50 N2 Ta
• Calculated formula: C26 H50 N2 Ta
• SMILES: [Ta]12345([N](=C(N1C(C)C)C)C(C)C)(CC(C)C)(CC(C)C)[c]1([c]3([c]4([c]5([c]21C)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: 36.0392 ± 0.0011 Å
• b: 8.7448 ± 0.0003 Å
• c: 17.391 ± 0.0005 Å
• α: 90°
• β: 100.278 ± 0.001°
• γ: 90°
• Cell volume: 5392.9 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0158
• Residual factor for significantly intense reflections: 0.0142
• Weighted residual factors for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections included in the refinement: 0.0363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No