Information card for entry 7044914

Structure parameters

• Formula: C8 H42 N8 O32 Pd2 V10
• Calculated formula: C8 H42 N8 O32 Pd2 V10
• SMILES: C1C[NH]2CC[NH2][Pd]2([NH2]1)[OH2].[NH4+].O1[V]2345[O]6[V]789(O[V]%10%111(O[V]1%12%13([O]3[V]3%14%15([O]1[V]1%16%17([O]8[V]8%186(=O)O[V]6(O1)(=O)(O[V](O2)(O%14)(O8)(=O)[O]4%15%16%186)O3)O[V](O%10)(O7)(O%12)(=O)[O]59%11%13%17)=O)=O)=O)=O.O.C1C[NH]2CC[NH2][Pd]2([NH2]1)[OH2].[NH4+].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: 9.715 ± 0.007 Å
• b: 10.642 ± 0.007 Å
• c: 19.195 ± 0.013 Å
• α: 90°
• β: 93.083 ± 0.012°
• γ: 90°
• Cell volume: 1982 ± 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: 0.0879
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.2254
• Weighted residual factors for all reflections included in the refinement: 0.2518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No