Information card for entry 4081304

Structure parameters

• Formula: C132 H186 O18 U6
• Calculated formula: C132 H186 O18 U6
• SMILES: [c]12(C)[c]3(C)[c]4(C)[c]5(C)[c]1(C)[U]234567891%10([c]2([c]6([c]7([c]8([c]92C)C)C)C)C)[O]=C(O1)O[U]123456789([c]%10(C)[c]3(C)[c]4(C)[c]5(C)[c]2%10C)([c]2([c]6([c]7([c]8([c]92C)C)C)C)C)[O]=C(O1)O[U]123456789([c]%10(C)[c]3(C)[c]4(C)[c]5(C)[c]2%10C)([c]2([c]6([c]7([c]8([c]92C)C)C)C)C)[O]=C(O1)O[U]123456789([c]%10(C)[c]3(C)[c]4(C)[c]5(C)[c]2%10C)([c]2([c]6([c]7([c]8([c]92C)C)C)C)C)[O]=C(O1)O[U]123456789([c]%10(C)[c]3(C)[c]4(C)[c]5(C)[c]2%10C)([c]2([c]6([c]7([c]8([c]92C)C)C)C)C)[O]=C(O1)O[U]123456789([c]%10(C)[c]3(C)[c]4(C)[c]5(C)[c]2%10C)([c]2([c]6([c]7([c]8([c]92C)C)C)C)C)[O]=C(O1)O%10.c1ccccc1
• Title of publication: Reactivity of U3+Metallocene Allyl Complexes Leads to a Nanometer-Sized Uranium Carbonate, [(C5Me5)2U]6(μ-κ1:κ2-CO3)6
• Authors of publication: Webster, Christopher L.; Ziller, Joseph W.; Evans, William J.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 17
• Pages of publication: 4820
• a: 31.339 ± 0.002 Å
• b: 31.339 ± 0.002 Å
• c: 10.992 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9349.3 ± 1.1 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No