Information card for entry 4110163

Structure parameters

• Common name: Tantalum
• Chemical name: Tantalum tetra(dimethyl)amide Hydroamide
• Formula: C10 H30 N5 O Ta
• Calculated formula: C10 H30 N5 O Ta
• SMILES: C[N]1(C)O[Ta]1(N(C)C)(N(C)C)(N(C)C)N(C)C
• Title of publication: Reaction of Ta(NMe2)5 with O2: Formation of Aminoxy and Unusual (Aminomethyl)amide Oxo Complexes and Theoretical Studies of the Mechanistic Pathways
• Authors of publication: Shu-Jian Chen; Xin-Hao Zhang; Xianghua Yu; He Qiu; Glenn P. A. Yap; Ilia A. Guzei; Zhenyang Lin; Yun-Dong Wu; Zi-Ling Xue
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 14408 - 14421
• a: 17.079 ± 0.006 Å
• b: 12.092 ± 0.004 Å
• c: 16.206 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3346.9 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No