Information card for entry 4102721

Structure parameters

• Common name: (Ar[Np]N)2(tBuC(H)NAr)TaOCH2OTi(N[tBu]Ar)3
• Formula: C88.5 H145 N6 O2 Ta Ti
• Calculated formula: C78.5 H121 N6 O2 Ta Ti
• 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: 18.7446 ± 0.0014 Å
• b: 38.429 ± 0.003 Å
• c: 12.6441 ± 0.0009 Å
• α: 90°
• β: 104.354 ± 0.001°
• γ: 90°
• Cell volume: 8823.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No