Information card for entry 4107951

Structure parameters

• Formula: C18 H23 Y
• Calculated formula: C18 H23 Y
• SMILES: C[c]12[Y]3456789%10%11%12([cH]%13[cH]9[cH]7[cH]8[cH]%10[cH]%11[cH]%12[cH]3%13)[c]([c]15C)([c]4([c]26C)C)C
• Title of publication: Reductive Reactivity of the Organolanthanide Hydrides, [(C5Me5)2LnH]x, Leads to an sa-Allyl Cyclopentadienyl (η5-C5Me4CH2-C5Me4CH2-η3)2- and Trianionic Cyclooctatetraenyl (C8H7)3- Ligands
• Authors of publication: William J. Evans; Benjamin M. Schmiege; Sara E. Lorenz; Kevin A. Miller; Timothy M. Champagne; Joseph W. Ziller; Antonio G. DiPasquale; Arnold L. Rheingold
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 8555 - 8563
• a: 10.3396 ± 0.0013 Å
• b: 12.9085 ± 0.0016 Å
• c: 11.7145 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1563.5 ± 0.3 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No