Information card for entry 7024990

Structure parameters

• Formula: H86 Mn2 Na12 O111 W19 Zn3
• Calculated formula: Mn2 Na12 O111 W19 Zn3
• Title of publication: A functionalized polyoxometalate solid for selective oxidation of styrene to benzaldehyde.
• Authors of publication: Tang, Jing; Yang, Xiu-Li; Zhang, Xian-Wei; Wang, Miao; Wu, Chuan-De
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 14
• Pages of publication: 3396 - 3399
• a: 13.0782 ± 0.0002 Å
• b: 17.8458 ± 0.0003 Å
• c: 21.1904 ± 0.0003 Å
• α: 90°
• β: 93.555 ± 0.001°
• γ: 90°
• Cell volume: 4936.13 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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 significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No