Information card for entry 4107953

Structure parameters

• Formula: C38 H52 Y2
• Calculated formula: C38 H52 Y2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Y]16782345([c]2([c]8([c]7([c]6([c]12C)C)C)C)C)[C]12=[CH]3[CH]4=[CH]5[CH]6=[CH]7[CH]8=[CH]1[Y]19%10%112345678[c]2([c]1([c]9([c]%10([c]%112C)C)C)C)C)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: 8.42 ± 0.003 Å
• b: 16.807 ± 0.005 Å
• c: 24.239 ± 0.008 Å
• α: 90°
• β: 93.001 ± 0.005°
• γ: 90°
• Cell volume: 3425 ± 2 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No