Information card for entry 4102720

Structure parameters

• Common name: (Ar[Np]N)2(eta2-tBuC(H)NAr)TaH
• Formula: C39 H60 N3 Ta
• Calculated formula: C39 H60 N3 Ta
• SMILES: [TaH]1(N(c3cc(cc(c3)C)C)C1C(C)(C)C)(N(c1cc(cc(c1)C)C)CC(C)(C)C)N(c1cc(cc(c1)C)C)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: 11.032 ± 0.0008 Å
• b: 11.1702 ± 0.0008 Å
• c: 17.121 ± 0.0012 Å
• α: 79.09 ± 0.001°
• β: 85.127 ± 0.001°
• γ: 66.34 ± 0.001°
• Cell volume: 1897.4 ± 0.2 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: 0.0207
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No