Information card for entry 4345729

Structure parameters

• Formula: C50 H62 Co2 N4 O27 V6
• Calculated formula: C50 H62 Co2 N4 O27 V6
• SMILES: c1ccc2ccc3c4[n]([Co]56([n]1c24)([O]=C(C)C=C(O5)C)OC(=CC(=[O]6)C)C)ccc3.O=[V]1234O[V]567(=O)[O]89%102[V]2(O1)(O5)(=O)[O]([V]18(=O)(O[V]9(=O)(O[V]%10(O1)(=O)([O]3C)[O]7C)([O]4C)[O]2C)[O]6C)C.c1ccc2ccc3ccc[n]4c3c2[n]1[Co]124([O]=C(C)C=C(O1)C)OC(=CC(=[O]2)C)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: 11.0869 ± 0.0004 Å
• b: 11.1026 ± 0.0004 Å
• c: 24.7041 ± 0.0009 Å
• α: 90°
• β: 90.378 ± 0.001°
• γ: 90°
• Cell volume: 3040.85 ± 0.19 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No