Information card for entry 7044913

Structure parameters

• Formula: C16 H50 N4 O28 V10
• Calculated formula: C16 H50 N4 O28 V10
• SMILES: [V]12345[OH]6[V]789(=O)O[V]%10%11%12(O[V]%13([O]%1448%12[V]48%12([O]%15[V]%16%17(=O)(O[V]%18%19([OH][V]%206(=O)([O]74)[O]38%17%19[V](O%16)(=O)(O%18)(O%12)O%20)(O1)=O)[O]2[V]%14%15(=O)(O%10)O%13)O%11)(O5)(O9)=O)=O.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C
• Title of publication: Three Pd-decavanadates with a controllable molar ratio of Pd to decavanadate and their heterogeneous aerobic oxidation of benzylic C-H bonds.
• Authors of publication: Huang, Xianqiang; Li, Jikun; Shen, Guodong; Xin, Nana; Lin, Zhengguo; Chi, Yingnan; Dou, Jianmin; Li, Dacheng; Hu, Changwen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 3
• Pages of publication: 726 - 733
• a: 12.617 ± 0.0012 Å
• b: 12.655 ± 0.0012 Å
• c: 15.6028 ± 0.0015 Å
• α: 68.317 ± 0.001°
• β: 83.535 ± 0.002°
• γ: 78.824 ± 0.002°
• Cell volume: 2268.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.2033
• Weighted residual factors for all reflections included in the refinement: 0.2797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No