Information card for entry 7120566

Structure parameters

• Formula: C32 H46 Y2
• Calculated formula: C32 H46 Y2
• 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: 14.4805 ± 0.0004 Å
• b: 15.464 ± 0.0003 Å
• c: 13.0556 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2923.49 ± 0.11 ų
• Cell temperature: 150.02 ± 0.1 K
• Ambient diffraction temperature: 150.02 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No