Information card for entry 4342330

Structure parameters

• Formula: C46 H82 N8 O25 Pd2 V6
• Calculated formula: C46 H82 N8 O25 Pd2 V6
• SMILES: c1cc(cc[n]1[Pd]1(OC(=CC(=[O]1)C)C)[n]1ccc(N(C)C)cc1)N(C)C.O=[V]1234[O]([V]567([O]89%103[V]3%11(=O)([O]([V]8(O1)(=O)(O[V]%10([O]7C)(=O)([O]4C)[O]%11C)[O]([V]9([O]2C)(O5)(=O)[O]3C)C)C)O6)=O)C.O.CC1=[O][Pd](OC(=C1)C)([n]1ccc(cc1)N(C)C)[n]1ccc(N(C)C)cc1.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: 10.7283 ± 0.0008 Å
• b: 11.9106 ± 0.0006 Å
• c: 13.1328 ± 0.0009 Å
• α: 86.49 ± 0.005°
• β: 73.385 ± 0.006°
• γ: 78.023 ± 0.005°
• Cell volume: 1573.04 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.064
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No