Information card for entry 7102774

Structure parameters

• Formula: C30 H45 I6 O U3
• Calculated formula: C30 H45 I6 O U3
• SMILES: [U]12345678([I][U]9%11%12%13%14%10([I][U]%17%18%15%16([I]1)([I]2)([I]%11)([O]5%12)[c]1([c]%16([c]%15([c]%18([c]%171C)C)C)C)C)([I]3)[c]1([c]9([c]%10([c]%14([c]%131C)C)C)C)C)[c]1([c]4([c]8([c]7([c]61C)C)C)C)C
• 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: 24.5979 ± 0.0005 Å
• b: 21.5504 ± 0.0004 Å
• c: 16.6282 ± 0.0003 Å
• α: 90°
• β: 109.891 ± 0.001°
• γ: 90°
• Cell volume: 8288.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0583
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No