Information card for entry 4105407

Structure parameters

• Formula: C40 H74 Si4 U2
• Calculated formula: C40 H74 Si4 U2
• SMILES: [U]123456789([c]%10([c]4([c]3([c]2([c]1%10C)C)C)C)C)(C([Si](C)(C)C)[Si](C)(C)C)[cH]12[cH]35[cH]46[U]56%10%11%12%1313([c]1([c]%11([c]%10([c]6([c]51C)C)C)C)C)(C([Si](C)(C)C)[Si](C)(C)C)[cH]74[cH]8%12[cH]92%13
• Title of publication: Synthesis of Heteroleptic Uranium (μ-η6:η6-C6H6)2- Sandwich Complexes via Facile Displacement of (η5-C5Me5)1- by Ligands of Lower Hapticity and Their Conversion to Heteroleptic Bis(imido) Compounds
• Authors of publication: William J. Evans; Christopher A. Traina; Joseph W. Ziller
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 17473 - 17481
• a: 8.631 ± 0.0003 Å
• b: 11.245 ± 0.0003 Å
• c: 12.1742 ± 0.0004 Å
• α: 99.8602 ± 0.0003°
• β: 104.289 ± 0.0003°
• γ: 99.05 ± 0.0003°
• Cell volume: 1103.19 ± 0.06 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0138
• Residual factor for significantly intense reflections: 0.0132
• Weighted residual factors for significantly intense reflections: 0.0327
• Weighted residual factors for all reflections included in the refinement: 0.0329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No