Information card for entry 4129589

Structure parameters

• Formula: C23 H35 O2 Y
• Calculated formula: C23 H35 O2 Y
• Title of publication: Synthesis, Structure, and Reactivity of the Ethyl Yttrium Metallocene, (C5Me5)2Y(CH2CH3), Including Activation of Methane.
• Authors of publication: MacDonald, Matthew R.; Langeslay, Ryan R.; Ziller, Joseph W.; Evans, William J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 46
• Pages of publication: 14716 - 14725
• a: 9.5104 ± 0.001 Å
• b: 10.7672 ± 0.0012 Å
• c: 12.0235 ± 0.0013 Å
• α: 73.4204 ± 0.0013°
• β: 80.374 ± 0.0013°
• γ: 69.1578 ± 0.0012°
• Cell volume: 1099.8 ± 0.2 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No