Information card for entry 7123894

Structure parameters

• Formula: C63.75 H116.5 Al2 Li2 N2 O2 Sc
• Calculated formula: C55 H99 Al2 Li2 N2 O2 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: 20.6285 ± 0.0004 Å
• b: 20.6285 ± 0.0004 Å
• c: 14.8136 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6303.7 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 135
• Hermann-Mauguin space group symbol: P 42/m b c
• Hall space group symbol: -P 4c 2ab
• Residual factor for all reflections: 0.1164
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.2685
• Weighted residual factors for all reflections included in the refinement: 0.2919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No