Information card for entry 4105738

Structure parameters

• Formula: C34 H58 N2 Si2 U
• Calculated formula: C34 H58 N2 Si2 U
• SMILES: [U]123456789%10%11(C=[N]1C(C)(C)C)N(C(C[Si]([c]16[c]2([c]3([c]4([c]51C)C)C)C)(C)C)=C[Si](C)(C)[c]17[c]9([c]%10([c]%11([c]81C)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: 10.0856 ± 0.0005 Å
• b: 17.4636 ± 0.0009 Å
• c: 19.6548 ± 0.001 Å
• α: 90°
• β: 104.761 ± 0.0007°
• γ: 90°
• Cell volume: 3347.6 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No