Information card for entry 7104122

Structure parameters

• Formula: C75 H132 O4 Si4 U2
• Calculated formula: C75 H122 O4 Si4 U2
• Title of publication: Reductive disproportionation of carbon dioxide to carbonate and squarate products using a mixed-sandwich U(III) complex.
• Authors of publication: Summerscales, Owen T; Frey, Alistair S P; Cloke, F Geoffrey N; Hitchcock, Peter B
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal volume: 34
• Journal issue: 2
• Pages of publication: 198 - 200
• a: 10.5128 ± 0.0006 Å
• b: 13.7949 ± 0.0006 Å
• c: 15.4698 ± 0.0007 Å
• α: 66.04 ± 0.003°
• β: 76.536 ± 0.003°
• γ: 73.608 ± 0.003°
• Cell volume: 1948.86 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No