Information card for entry 7120565

Structure parameters

• Formula: C45 H51 Dy N2
• Calculated formula: C45 H51 Dy N2
• Title of publication: Activation of C‒H bonds by rare-earth metallocene-butyl complexes
• Authors of publication: Layfield, Richard; Day, Benjamin M. Morgan; Guo, Fu-Sheng; Pugh, Thomas; Grindell, Richard
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 15.6469 ± 0.0006 Å
• b: 12.9702 ± 0.0007 Å
• c: 37.5845 ± 0.0012 Å
• α: 90°
• β: 91.221 ± 0.003°
• γ: 90°
• Cell volume: 7625.8 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1168
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No