Information card for entry 4088584

Structure parameters

• Formula: C28 H43 I Li N6 Ta
• Calculated formula: C28 H43 I Li N6 Ta
• Title of publication: Extreme π-Loading as a Design Element for Accessing Imido Ligand Reactivity. A CCC-NHC Pincer Tantalum Bis(imido) Complex: Synthesis, Characterization, and Catalytic Oxidative Amination of Alkenes
• Authors of publication: Helgert, Theodore R.; Zhang, Xiaofei; Box, Hannah K.; Denny, Jason A.; Valle, Henry U.; Oliver, Allen G.; Akurathi, Gopalakrishna; Webster, Charles Edwin; Hollis, T. Keith
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 20
• Pages of publication: 3452
• a: 10.4676 ± 0.0005 Å
• b: 11.0982 ± 0.0005 Å
• c: 15.7331 ± 0.0008 Å
• α: 96.432 ± 0.002°
• β: 92.191 ± 0.002°
• γ: 117.377 ± 0.002°
• Cell volume: 1604.45 ± 0.14 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No