Information card for entry 4329556

Structure parameters

• Formula: C112 H0 N8 Nd2 O80 Si2 W20
• Calculated formula: C112 N8 Nd2 O80 Si2 W20
• Title of publication: Strategic Design and Refinement of Lewis Acid-Base Catalysis by Rare-Earth-Metal-Containing Polyoxometalates
• Authors of publication: Kosuke Suzuki; Midori Sugawa; Yuji Kikukawa; Keigo Kamata; Kazuya Yamaguchi; Noritaka Mizuno
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6953 - 6961
• a: 25.706 ± 0.0002 Å
• b: 24.5296 ± 0.0002 Å
• c: 28.4474 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17937.7 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No