Information card for entry 4113152

Structure parameters

• Formula: C44 H86 N2 Si4 U2
• Calculated formula: C44 H86 N2 Si4 U2
• SMILES: [U]123456789(N([Si](C)(C)C)[Si](C)(C)C)([c]%10([c]1([c]2([c]3([c]4%10C)C)C)C)C)[cH]12[cH]35[cH]46[U]56%10%11%12%1313(N([Si](C)(C)C)[Si](C)(C)C)([c]1([c]5([c]6([c]%10([c]%111C)C)C)C)C)[cH]74[cH]8%12[cH]92%13.CCCCCC
• Title of publication: Structure, Reactivity, and Density Functional Theory Analysis of the Six-Electron Reductant, [(C5Me5)2U]2(μ-η6:η6-C6H6), Synthesized via a New Mode of (C5Me5)3M Reactivity
• Authors of publication: William J. Evans; Stosh A. Kozimor; Joseph W. Ziller; Nikolas Kaltsoyannis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 14533 - 14547
• a: 8.603 ± 0.0016 Å
• b: 11.624 ± 0.002 Å
• c: 13.269 ± 0.003 Å
• α: 107.46 ± 0.003°
• β: 99.515 ± 0.003°
• γ: 90.328 ± 0.003°
• Cell volume: 1246.2 ± 0.4 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.0186
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No