Information card for entry 4105735

Structure parameters

• Formula: C24 H40 S4 Si2 U
• Calculated formula: C24 H40 S4 Si2 U
• SMILES: [c]12([c]3(C)[c]4([c]5([c]61[U]23451789%10(SSC[Si]6(C)C)[c]2([c]7([c]8([c]9([c]2%10C)C)C)C)[Si](C)(C)CSS1)C)C)C
• Title of publication: Insertion, Isomerization, and Cascade Reactivity of the Tethered Silylalkyl Uranium Metallocene (η5-C5Me4SiMe2CH2-κC)2U
• Authors of publication: Nathan A. Siladke; Joseph W. Ziller; William J. Evans
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 3507 - 3516
• a: 19.6639 ± 0.0015 Å
• b: 8.7482 ± 0.0007 Å
• c: 17.194 ± 0.0013 Å
• α: 90°
• β: 108.577 ± 0.0009°
• γ: 90°
• Cell volume: 2803.7 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0181
• Residual factor for significantly intense reflections: 0.0162
• Weighted residual factors for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections included in the refinement: 0.0376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No