Information card for entry 4112719

Structure parameters

• Formula: C76 H124 O Si6 Y4
• Calculated formula: C76 H123.44 O 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: 12.5184 ± 0.001 Å
• b: 12.7826 ± 0.001 Å
• c: 26.647 ± 0.002 Å
• α: 78.28 ± 0.002°
• β: 84.195 ± 0.002°
• γ: 88.834 ± 0.002°
• Cell volume: 4153.7 ± 0.6 ų
• Cell temperature: 153 ± 1 K
• Ambient diffraction temperature: 153 ± 1 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: 0.0784
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No