Information card for entry 4342329

Structure parameters

• Formula: C38 H58 N6 O24 Pd2 V6
• Calculated formula: C38 H58 N6 O24 Pd2 V6
• SMILES: [Pd]12([n]3ccccc3Nc3[n]2cccc3)OC(=CC(=[O]1)C)C.[Pd]12(OC(=CC(=[O]1)C)C)[n]1c(Nc3[n]2cccc3)cccc1.[V]1234(O[V]567(O[V]89(=O)(O[V]%10%11([O]2C)([O]([V]2(O[V]([O]5C)([O]%10C)(=O)([O]8C)[O]2469%11)([O]1C)([O]7C)=O)C)=O)[O]3C)=O)=O.O
• Title of publication: Four alkoxohexavanadate-based pd-polyoxovanadates as robust heterogeneous catalysts for oxidation of benzyl-alkanes.
• Authors of publication: Li, Ji-Kun; Huang, Xian-Qiang; Yang, Song; Ma, Hong-Wei; Chi, Ying-Nan; Hu, Chang-Wen
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1454 - 1461
• a: 15.949 ± 0.004 Å
• b: 24.934 ± 0.006 Å
• c: 13.822 ± 0.003 Å
• α: 90°
• β: 98.513 ± 0.004°
• γ: 90°
• Cell volume: 5436 ± 2 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: 0.1552
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.2286
• Weighted residual factors for all reflections included in the refinement: 0.2849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No