Information card for entry 4110672

Structure parameters

• Formula: C59 H104 O3 Si4 Y4
• Calculated formula: C59 H95 O3 Si4 Y4
• 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: 20.2952 ± 0.0011 Å
• b: 14.6232 ± 0.0008 Å
• c: 24.9276 ± 0.0014 Å
• α: 90°
• β: 111.16 ± 0.001°
• γ: 90°
• Cell volume: 6899.2 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No