Information card for entry 7113146

Structure parameters

• Formula: C24 H39 I6 O Si3 U3
• Calculated formula: C24 H39 I6 O Si3 U3
• SMILES: [U]12345678([I][U]9%10%11%12%13%14([I]1)([I][U]1%15%16%17([I]9)([I]2)([I]3)([O]4%10)[c]2([cH]%17[cH]%16[cH]%15[cH]12)[Si](C)(C)C)[c]1([cH]%14[cH]%13[cH]%12[cH]%111)[Si](C)(C)C)[c]1([Si](C)(C)C)[cH]5[cH]6[cH]7[cH]81
• Title of publication: Activation and reduction of diethyl ether by low valent uranium: formation of the trimetallic, mixed valence uranium oxo species [U(CpRR')(μ-I)2]3(μ3-O) (CpRR' = C5Me5, C5Me4H, C5H4SiMe3)
• Authors of publication: Larch, Christopher P.; Cloke, F. Geoffrey N.; Hitchcock, Peter B.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 1
• Pages of publication: 82 - 84
• a: 16.707 ± 0.0003 Å
• b: 8.3748 ± 0.0001 Å
• c: 31.3762 ± 0.0004 Å
• α: 90°
• β: 102.745 ± 0.001°
• γ: 90°
• Cell volume: 4281.92 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7102773
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No