Information card for entry 7106361

Structure parameters

• Formula: C78 H158 N2 O23 V6
• Calculated formula: C78 H158 N2 O23 V6
• SMILES: C12(C[O]3[V]456(O[V]789(O[V]%10%113([O](C1)[V]13([O]%1247%10[V]4([O]8CC7(C[O]4[V]%12([O]9C7)(O6)(O1)=O)COC(=O)CCCCCCCCCCCCCCCCC)(O%11)(O3)=O)([O]5C2)=O)=O)=O)=O)COC(=O)CCCCCCCCCCCCCCCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: DMAP-catalyzed esterification of pentaerythritol-derivatized POMs: a new route for the functionalization of polyoxometalates
• Authors of publication: Pingfan Wu; Zicheng Xiao; Jin Zhang; Jian Hao; Jiake Chen; Panchao Yin; Yongge Wei
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5557
• a: 11.528 ± 0.002 Å
• b: 12.074 ± 0.002 Å
• c: 19.371 ± 0.004 Å
• α: 94.67 ± 0.03°
• β: 99.95 ± 0.03°
• γ: 115.39 ± 0.03°
• Cell volume: 2362.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2273
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No