Information card for entry 4073488

Structure parameters

• Common name: UCI-KAM-5
• Formula: C27 H38 Se U
• Calculated formula: C27 H38 Se U
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[U]16782345([c]2([c]1([c]6([c]7([c]82C)C)C)C)C)(C)[Se]c1ccccc1)C)C)C)C
• Title of publication: Formation of (C5Me5)2U(EPh)Me, (C5Me5)2U(EPh)2, and (C5Me5)2U(η2-TeC6H4) from (C5Me5)2UMe2and PhEEPh (E = S, Se, Te)
• Authors of publication: Evans, William J.; Miller, Kevin A.; Ziller, Joseph W.; DiPasquale, Antonio G.; Heroux, Katie J.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 17
• Pages of publication: 4287
• a: 8.909 ± 0.0015 Å
• b: 17.166 ± 0.003 Å
• c: 16.484 ± 0.003 Å
• α: 90°
• β: 100.332 ± 0.002°
• γ: 90°
• Cell volume: 2480.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No