Information card for entry 4102719

Structure parameters

• Common name: (Ar[Np]N)2(k2-CH2CMe2CH2NAr)TaH
• Formula: C39 H60 N3 Ta
• Calculated formula: C39 H60 N3 Ta
• SMILES: [TaH]1(N(c2cc(C)cc(C)c2)CC(C1)(C)C)(N(c1cc(C)cc(C)c1)CC(C)(C)C)N(c1cc(C)cc(C)c1)CC(C)(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: 11.59 ± 0.002 Å
• b: 11.98 ± 0.002 Å
• c: 15.519 ± 0.003 Å
• α: 68.36 ± 0.003°
• β: 70.878 ± 0.003°
• γ: 73.439 ± 0.003°
• Cell volume: 1859 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No