Information card for entry 4068362

Structure parameters

• Common name: UCI-MKT-1
• Formula: C48 H56 Se2 U2
• Calculated formula: C48 H56 Se2 U2
• SMILES: [U]123456789%10%11%12([CH]%13=[CH]3[CH]4=[CH]5[CH]1=[CH]6[CH]7=[CH]8%13)([c]1([c]9([c]%10([c]%11([c]1%12C)C)C)C)C)[Se](c1ccccc1)[U]13456789%10%11%12([CH]%13=[CH]3[CH]4=[CH]5[CH]1=[CH]6[CH]7=[CH]8%13)([c]1([c]9([c]%10([c]%11([c]1%12C)C)C)C)C)[Se]2c1ccccc1
• 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: 12.191 ± 0.004 Å
• b: 17.707 ± 0.008 Å
• c: 19.051 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4112 ± 3 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No