Information card for entry 4110165

Structure parameters

• Formula: C16 H46 N8 O2 Ta2
• Calculated formula: C16 H46 N8 O2 Ta2
• 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: 11.435 ± 0.006 Å
• b: 13.712 ± 0.008 Å
• c: 8.616 ± 0.005 Å
• α: 90°
• β: 107.534 ± 0.007°
• γ: 90°
• Cell volume: 1288.2 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No