Information card for entry 7102521

Structure parameters

• Formula: C150 H115 O25 Y5
• Calculated formula: C150 H108 O25 Y5
• Title of publication: A pentanuclear yttrium hydroxo cluster as an oxidation catalyst. Catalytic oxidation of aldehydes in the presence of air.
• Authors of publication: Roesky, Peter W; Canseco-Melchor, Graciela; Zulys, Agustino
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 6
• Pages of publication: 738 - 739
• a: 19.466 ± 0.004 Å
• b: 19.466 ± 0.004 Å
• c: 18.53 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7021 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1177
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.1867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.849
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No