Information card for entry 4345733

Structure parameters

• Formula: C40 H64 Cu2 N6 O25 V6
• Calculated formula: C40 H64 Cu2 N6 O25 V6
• SMILES: C[O]1[V]234(=O)[O](C)[V]567([O]89%102[V]2%11(O5)([O](C)[V]1%10(O6)(=O)[O](C)[V]8(O3)(O[V]9([O]4C)([O]2C)(=O)[O]7C)([O]%11C)=O)=O)=O.CC1=[O][Cu]2(OC(=C1)C)([n]1ccccc1Nc1[n]2cccc1)[OH]C.CC1=[O][Cu]2(OC(=C1)C)([n]1ccccc1Nc1[n]2cccc1)[OH]C
• Title of publication: Controllable Synthesis of Lindqvist Alkoxopolyoxovanadate Clusters as Heterogeneous Catalysts for Sulfoxidation of Sulfides.
• Authors of publication: Li, Ji-Kun; Dong, Jing; Wei, Chuan-Ping; Yang, Song; Chi, Ying-Nan; Xu, Yan-Qing; Hu, Chang-Wen
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 5748 - 5756
• a: 10.097 ± 0.009 Å
• b: 11.715 ± 0.011 Å
• c: 12.835 ± 0.012 Å
• α: 78.426 ± 0.016°
• β: 73.825 ± 0.017°
• γ: 72.759 ± 0.016°
• Cell volume: 1381 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1546
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.2604
• Weighted residual factors for all reflections included in the refinement: 0.3163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No