Information card for entry 7062535

Structure parameters

• Formula: C30 H24 Co2 Cu3 Mo10 N6 O48
• Calculated formula: C30 H24 Co2 Cu3 Mo10 N6 O49
• SMILES: [Mo]123(=O)(=O)[O]45[Co]6789[O]%10[Mo]%11(=[O][Cu]%12([OH2])([OH2])([OH2])[n]%13ccccc%13c%13[n]%12cccc%13)(=[O][Cu]%12([OH2])([OH2])[n]%13ccccc%13c%13[n]%12cccc%13)([O]6[Mo]5(=O)(O%11)(O1)=O)O[Mo]1%10(=O)(=O)O[Mo]56(=O)(=O)[O]%10%11[Co]%12%13%14%15[O]%16[Mo]%17%18(=O)(=[O][Cu]%19([OH2])([O]=[Mo]4(=O)([O]96%14)(O%17)[O]3%15%18)[n]3ccccc3c3[n]%19cccc3)O[Mo]3%16(=O)(=O)O[Mo]%11(=O)(=O)(O[Mo]%10(=O)([O]715)([O]28%12)=O)[O]%133.O.O.O.O.O
• Title of publication: Two novel supramolecular structures of Evans–Showell type polyoxometalate for heterogeneous and efficient catalytic conversion of different sulfides
• Authors of publication: An, Haiyan; Huang, Yaohui; Chen, Yanhong; Zhu, Qingshan; Wei, Yuting
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 28
• Pages of publication: 13528 - 13537
• a: 16.0443 ± 0.0006 Å
• b: 20.4432 ± 0.001 Å
• c: 20.5811 ± 0.0009 Å
• α: 90°
• β: 106.925 ± 0.0013°
• γ: 90°
• Cell volume: 6458.1 ± 0.5 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 2 K
• Number of distinct elements: 7
• 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: 0.0591
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No