Information card for entry 4104268

Structure parameters

• Formula: C20 H26 Cl2 N3 O2 Ta
• Calculated formula: C20 H26 Cl2 N3 O2 Ta
• SMILES: N12[Ta](N(c3c1ccc(c3)OC)C(C)C)(N(c1c2ccc(c1)OC)C(C)C)(Cl)Cl
• Title of publication: One- and Two-Electron Reactivity of a Tantalum(V) Complex with a Redox-Active Tris(amido) Ligand
• Authors of publication: Andy I. Nguyen; Karen J. Blackmore; Shawn M. Carter; Ryan A. Zarkesh; Alan F. Heyduk
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 3307 - 3316
• a: 15.8698 ± 0.0014 Å
• b: 15.8698 ± 0.0014 Å
• c: 16.868 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4248.2 ± 0.6 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No