Information card for entry 4107952

Structure parameters

• Formula: C30 H43 Y
• Calculated formula: C30 H43 Y
• SMILES: [Y]123456789([c]%12([c]4([c]3([c]2([c]1%12C)C)C)C)CC1(C(=C(C(=C1C)C)C)C9)C)[c]1([c]5([c]6([c]7([c]81C)C)C)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: 9.2799 ± 0.001 Å
• b: 11.1103 ± 0.0012 Å
• c: 12.6823 ± 0.0014 Å
• α: 83.277 ± 0.002°
• β: 78.81 ± 0.002°
• γ: 83.363 ± 0.002°
• Cell volume: 1268.1 ± 0.2 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No