Information card for entry 4105737

Structure parameters

• Formula: C36 H63 N3 Si2 U
• Calculated formula: C36 H63 N3 Si2 U
• SMILES: [U]123456789%10%11([N](=C%11C[Si]([c]%115[c]1([c]2([c]3([c]4%11C)C)C)C)(C)C)C(C)(C)C)N(/C(=N/C(C)C)C[Si]([c]1%10[c]6([c]7([c]8([c]91C)C)C)C)(C)C)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: 10.8031 ± 0.0006 Å
• b: 12.6268 ± 0.0007 Å
• c: 14.8665 ± 0.0008 Å
• α: 92.118 ± 0.0006°
• β: 91.9633 ± 0.0006°
• γ: 112.882 ± 0.0005°
• Cell volume: 1864.45 ± 0.18 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0162
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections included in the refinement: 0.0401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No