Information card for entry 7026277

Structure parameters

• Formula: Cu4 H74 N12 O81 Si2 W18
• Calculated formula: Cu4 N12 O81 Si2 W18
• Title of publication: Structures, magnetic and catalytic properties of three sandwich-type silicotungstates containing tetranuclear copper(II) clusters.
• Authors of publication: Yu, Fan; Long, Yu-Xiang; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 32
• Pages of publication: 7588 - 7594
• a: 12.792 ± 0.003 Å
• b: 20.277 ± 0.004 Å
• c: 16.384 ± 0.003 Å
• α: 90°
• β: 105.476 ± 0.004°
• γ: 90°
• Cell volume: 4095.7 ± 1.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.0968
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No