Information card for entry 4110673

Structure parameters

• Formula: C48 H84 Lu4 O4 Si4
• Calculated formula: C48 H84 Lu4 O4 Si4
• SMILES: [Lu]123456([O]7[Lu]89%10%11%12([O]%13[Lu]7%20%21%22%23([O]1[Lu]%131%24%25%26([O]28)[c]2([Si](C)(C)C)[c]1([c]%24([c]%25([c]%262C)C)C)C)[c]1([Si](C)(C)C)[c]%20([c]%21([c]%22([c]%231C)C)C)C)[c]1([c]9([c]%10([c]%11([c]%121C)C)C)C)[Si](C)(C)C)[c]1([Si](C)(C)C)[c]6([c]3([c]4([c]51C)C)C)C
• Title of publication: Hydrogenation of Carbon Monoxide by Tetranuclear Rare Earth Metal Polyhydrido Complexes. Selective Formation of Ethylene and Isolation of Well-Defined Polyoxo Rare Earth Metal Clusters
• Authors of publication: Takanori Shima; Zhaomin Hou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 8124 - 8125
• a: 14.5263 ± 0.0011 Å
• b: 14.1982 ± 0.0011 Å
• c: 28.12 ± 0.002 Å
• α: 90°
• β: 95.888 ± 0.002°
• γ: 90°
• Cell volume: 5769.1 ± 0.7 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No