Information card for entry 7044912

Structure parameters

• Formula: H52 N12 O36 Pd3 V10
• Calculated formula: H52 N12 O36 Pd3 V10
• SMILES: [NH3][Pd]([NH3])([NH3])[NH3].[NH3][Pd]([NH3])([NH3])[NH3].O1[V]2345[O]6[V]789([O]%10[V]%11%12%13%14O[V]%15%16([O]%1737%11[V]3([O]2[V]27([O]%11%184%12[V]41(O[V]6%10%11(O[V]%18(O4)(O%13)(O7)=O)=O)(=O)O2)([O]%143)=O)(O%15)(O[V]%17(O5)(O%16)(O9)=O)=O)(O8)=O)=O.O.O.O.O.[NH3][Pd]([NH3])([NH3])[NH3].O.O.O.O
• 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: 9.5424 ± 0.0008 Å
• b: 11.2379 ± 0.0009 Å
• c: 11.8608 ± 0.0011 Å
• α: 115.251 ± 0.002°
• β: 108.069 ± 0.001°
• γ: 98.873 ± 0.001°
• Cell volume: 1031.12 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0373
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No