Information card for entry 4110783

Structure parameters

• Formula: C78 H132 O5 Si4 U2
• Calculated formula: C77.992 H120.414 O5 Si4 U2
• Title of publication: Reductive Cyclotetramerization of CO to Squarate by a U(III) Complex: The X-ray Crystal Structure of [(U(η-C8H6{SiiPr3-1,4}2)(η-C5Me4H)]2(μ-η2:η2-C4O4)
• Authors of publication: Owen T. Summerscales; F. Geoffrey N. Cloke; Peter B. Hitchcock; Jennifer C. Green; Nilay Hazari
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 9602 - 9603
• a: 10.9003 ± 0.0005 Å
• b: 13.6373 ± 0.0007 Å
• c: 15.7777 ± 0.0006 Å
• α: 68.152 ± 0.003°
• β: 74.018 ± 0.003°
• γ: 73.408 ± 0.002°
• Cell volume: 2048.24 ± 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: 0.0727
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No