Information card for entry 4081303

Structure parameters

• Formula: C22 H30 U
• Calculated formula: C22 H30 U
• SMILES: [U]123456789%10%11%12%13([c]%14([c]4([c]3([c]2([c]1%14C)C)C)C)C)([CH]1=[CH]%11[CH]%10=[CH]9[CH]8=[CH]7[CH]6=[CH]51)[CH2]=[C]%12(C%13)C
• 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: 8.8131 ± 0.0004 Å
• b: 14.2385 ± 0.0006 Å
• c: 16.0147 ± 0.0006 Å
• α: 106.657 ± 0.0005°
• β: 98.8404 ± 0.0005°
• γ: 90.4651 ± 0.0005°
• Cell volume: 1899.52 ± 0.14 ų
• Cell temperature: 83 ± 2 K
• Ambient diffraction temperature: 83 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections included in the refinement: 0.0396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No