Information card for entry 4102724

Structure parameters

• Common name: (Ar[CH2tBu]N)2(eta2-ArNCHtBu)TaOCH2OtBu
• Formula: C44 H70 N3 O2 Ta
• Calculated formula: C44 H70 N3 O2 Ta
• SMILES: [Ta]1(OCOC(C)(C)C)(N(c2cc(cc(c2)C)C)CC(C)(C)C)(N(C1C(C)(C)C)c1cc(cc(c1)C)C)N(CC(C)(C)C)c1cc(cc(c1)C)C
• 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: 15.3854 ± 0.001 Å
• b: 16.3025 ± 0.0011 Å
• c: 19.3888 ± 0.0013 Å
• α: 105.013 ± 0.001°
• β: 104.938 ± 0.001°
• γ: 100.622 ± 0.001°
• Cell volume: 4371 ± 0.5 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: 0.0748
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No