Information card for entry 7126063

Structure parameters

• Formula: C50 H128 N25 Nd O88 Si2 W22
• Calculated formula: C51 H103 N23 Nd O86.2 Si2 W22
• Title of publication: A micro-environment tuning approach for enhancing the catalytic capabilities of lanthanide containing polyoxometalate in the cyanosilylation of ketones.
• Authors of publication: Nie, Yan-Mei; Li, Sang-Hao; Lin, Ming-Yuan; Yan, Jun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 26
• Pages of publication: 3809 - 3812
• a: 13.4923 ± 0.0009 Å
• b: 19.9659 ± 0.0014 Å
• c: 24.448 ± 0.0016 Å
• α: 102.869 ± 0.004°
• β: 97.74 ± 0.004°
• γ: 94.707 ± 0.004°
• Cell volume: 6319.1 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No