Information card for entry 4071840

Structure parameters

• Formula: C56 H100 Cl3 Li O9 Si2 U2
• Calculated formula: C56 H100 Cl3 Li O9 Si2 U2
• SMILES: [U]123456789%10([Cl][U]%11%12%13%14%15%16%17%18%19(Cl)(O1)[c]1([Si](C)(C)[c]%20%14[c]%15([c]%18([c]%16([c]%17%20C)C)C)C)[c]%19([c]%11([c]%12([c]%131C)C)C)C)(Cl)[c]1([Si](C)(C)[c]%115[c]6([c]7([c]8([c]9%11C)C)C)C)[c]2([c]%10([c]3([c]41C)C)C)C.[O]1(C)CC[O](C)[Li]231([O](C)CC[O]2C)[O](C)CC[O]3C.COCCOC
• Title of publication: Coordinative Unsaturation versus Oxophilicity:ansaDimethylsilyl Oxo-Bridged Uranium Metallocenes. Synthesis, Structures, and Unexpected Catalytic Activity with Alkynes and Silanes
• Authors of publication: Wang, Jiaxi; Gurevich, Ylia; Botoshansky, Mark; Eisen, Moris S.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 17
• Pages of publication: 4494
• a: 34.896 ± 0.007 Å
• b: 9.601 ± 0.002 Å
• c: 39.433 ± 0.008 Å
• α: 90°
• β: 103.36 ± 0.03°
• γ: 90°
• Cell volume: 12854 ± 5 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 7
• 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: 0.1356
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 0.819
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No