Information card for entry 4108644

Structure parameters

• Formula: C28 H32 Cl6 N4 Ta2
• Calculated formula: C28 H32 Cl6 N4 Ta2
• SMILES: c1(ccccc1)N(C)[Ta]1(N(C)c2ccccc2)(Cl)([Cl][Ta](N(c2ccccc2)C)(N(c2ccccc2)C)([Cl]1)(Cl)Cl)Cl
• Title of publication: Hydroaminoalkylation of Unactivated Olefins with Dialkylamines
• Authors of publication: Seth B. Herzon; John F. Hartwig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 14940 - 14941
• a: 28.5869 ± 0.0006 Å
• b: 7.9194 ± 0.0002 Å
• c: 15.1338 ± 0.0003 Å
• α: 90°
• β: 112.617 ± 0.001°
• γ: 90°
• Cell volume: 3162.67 ± 0.12 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0247
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections included in the refinement: 0.0366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No