Information card for entry 7123893

Structure parameters

• Formula: C34 H56 Al Li N O Sc
• Calculated formula: C34 H56 Al Li N O Sc
• Title of publication: Selective Mono- and Dimetallation of a Group 3 Sandwich Complex
• Authors of publication: Martinez-Martinez, Antonio J.; Kennedy, Alan; Paprocki, Valerie; Fantuzzi, Felipe; Dewhurst, Rian David; O'Hara, Charles T.; Braunschweig, Holger; Mulvey, Robert E.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.11866 ± 0.00014 Å
• b: 15.1374 ± 0.0002 Å
• c: 19.5596 ± 0.0003 Å
• α: 90°
• β: 97.9689 ± 0.0014°
• γ: 90°
• Cell volume: 3260.24 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No