Information card for entry 4336212

Structure parameters

• Formula: C26 H38 Cl2 N3 Ta
• Calculated formula: C26 H38 Cl2 N3 Ta
• SMILES: [Ta]12(Cl)(Cl)N(c3c(N1C(C)C)cc(cc3)C(C)(C)C)c1c(N2C(C)C)cc(cc1)C(C)(C)C
• Title of publication: Tuning the Electronic and Steric Parameters of a Redox-Active Tris(amido) Ligand
• Authors of publication: Rui F. Munhá; Ryan A. Zarkesh; Alan F. Heyduk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11244 - 11255
• a: 22.2922 ± 0.001 Å
• b: 19.3663 ± 0.0009 Å
• c: 12.6188 ± 0.0006 Å
• α: 90°
• β: 95.5609 ± 0.0005°
• γ: 90°
• Cell volume: 5422.1 ± 0.4 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0156
• Residual factor for significantly intense reflections: 0.0146
• Weighted residual factors for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections included in the refinement: 0.0348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No