Information card for entry 4120095

Structure parameters

• Formula: C38 H52 B N11 Ni O42 W12
• Calculated formula: C38 H48 B N11 Ni O42.5 W12
• Title of publication: Engineering Chiral Polyoxometalate Hybrid Metal-Organic Frameworks for Asymmetric Dihydroxylation of Olefins
• Authors of publication: Qiuxia Han; Cheng He; Min Zhao; Bo Qi; Jingyang Niu; Chunying Duan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 10186 - 10189
• a: 25.266 ± 0.003 Å
• b: 11.4902 ± 0.0012 Å
• c: 22.88 ± 0.002 Å
• α: 90°
• β: 90.492 ± 0.002°
• γ: 90°
• Cell volume: 6642.1 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No