Information card for entry 4112715

Structure parameters

• Formula: C70.5 H120 O4 Si6 Y4
• Calculated formula: C70.5 H120 O4 Si6 Y4
• Title of publication: Hydrogenation of Carbon Dioxide and Aryl Isocyanates by a Tetranuclear Tetrahydrido Yttrium Complex. Isolation, Structures, and CO2 Insertion Reactions of Methylene Diolate and μ3-Oxo Yttrium Complexes
• Authors of publication: Olivier Tardif; Daisuke Hashizume; Zhaomin Hou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 8080 - 8081
• a: 12.2348 ± 0.0011 Å
• b: 15.2532 ± 0.0013 Å
• c: 21.2206 ± 0.0018 Å
• α: 96.005 ± 0.002°
• β: 90.298 ± 0.002°
• γ: 91.165 ± 0.002°
• Cell volume: 3937.5 ± 0.6 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.1501
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No