Information card for entry 4068360

Structure parameters

• Formula: C54 H60 N2 U2
• Calculated formula: C54 H60 N2 U2
• SMILES: [U]123456789%10%11([n]%12c%13ccccc%13[n]([U]%13%14%15%16%17%18%19%20%21%22%23([c]%24([c]%13([c]%14([c]%15([c]%16%24C)C)C)C)C)[CH]%13=[CH]%17[CH]%18=[CH]%19[CH]%20=[CH]%21[CH]%22=[CH]%23%13)c%13ccccc%12%13)([c]%12([c]1([c]2([c]3([c]4%12C)C)C)C)C)[CH]1=[CH]5[CH]6=[CH]7[CH]8=[CH]9[CH]%10=[CH]%111.c1ccccc1
• Title of publication: Reductive Reactivity of the Tetravalent Uranium Complex [(η5-C5Me5)(η8-C8H8)U]2(μ-η3:η3-C8H8)
• Authors of publication: Evans, William J.; Takase, Michael K.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 236
• a: 18.183 ± 0.003 Å
• b: 12.9333 ± 0.0019 Å
• c: 19.487 ± 0.003 Å
• α: 90°
• β: 105.644 ± 0.002°
• γ: 90°
• Cell volume: 4412.9 ± 1.2 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 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: 0.0619
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No