Information card for entry 4102723

Structure parameters

• Common name: (Ar[CH2tBu]N)2(C(H)tBuNAr)TaOC(H)NtBu
• Formula: C44 H69 N4 O Ta
• Calculated formula: C44 H69 N4 O Ta
• Title of publication: Carbon Dioxide Reduction by Terminal Tantalum Hydrides: Formation and Isolation of Bridging Methylene Diolate Complexes
• Authors of publication: Matthew A. Rankin; Christopher C. Cummins
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 10021 - 10023
• a: 10.7775 ± 0.0012 Å
• b: 13.8137 ± 0.0015 Å
• c: 15.7172 ± 0.0017 Å
• α: 86.206 ± 0.002°
• β: 72.564 ± 0.002°
• γ: 77.292 ± 0.002°
• Cell volume: 2177.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No