Information card for entry 4110164

Structure parameters

• Common name: tantalum
• Chemical name: tantalum amide hydroamide
• Formula: C10 H30 N5 O2 Ta
• Calculated formula: C10 H30 N5 O2 Ta
• SMILES: CN(C)[Ta]12(N(C)C)(N(C)C)([N](C)(C)O1)[N](C)(C)O2
• 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: 8.273 ± 0.009 Å
• b: 13.077 ± 0.014 Å
• c: 16.25 ± 0.017 Å
• α: 90°
• β: 99.88 ± 0.018°
• γ: 90°
• Cell volume: 1732 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.036
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No