Information card for entry 4112716

Structure parameters

• Formula: C60 H106 O5 Si6 Y4
• Calculated formula: C60 H106 O5 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: 26.15 ± 0.002 Å
• b: 12.1801 ± 0.0011 Å
• c: 23.553 ± 0.002 Å
• α: 90°
• β: 111.15 ± 0.002°
• γ: 90°
• Cell volume: 6996.5 ± 1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 0.768
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No