Information card for entry 4112717

Structure parameters

• Formula: C74 H120 O6 Si6 Y4
• Calculated formula: C74 H104 O6 Si6 Y4
• SMILES: [Y]123456789([O]%10[Y]%11%12%13%14%15%16([O]%17[Y]%18%19%20%21%22%23%24%25([O]%26[Y]%27%28%29%30([O]%12=C%17%26)([O]1C%10=O)([C]7%18([Si](C)(C)C)[CH]8%23[CH]9%24[C]6%11%25[Si](C)(C)C)[c]1([Si](C)(C)C)[c]%27([c]%28([c]%29([c]%301C)C)C)C)[c]1([Si](C)(C)C)[c]%19([c]%20([c]%21([c]%221C)C)C)C)[c]1([Si](C)(C)C)[c]%14([c]%15([c]%16([c]%131C)C)C)C)[c]1([Si](C)(C)C)[c]2([c]3([c]4([c]51C)C)C)C.Cc1ccccc1.Cc1ccccc1
• 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: 12.2223 ± 0.0014 Å
• b: 13.9952 ± 0.0016 Å
• c: 24.05 ± 0.003 Å
• α: 97.319 ± 0.002°
• β: 92.998 ± 0.002°
• γ: 92.442 ± 0.002°
• Cell volume: 4069.7 ± 0.8 ų
• Cell temperature: 203 ± 1 K
• Ambient diffraction temperature: 203 ± 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: 0.0889
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No