Information card for entry 7106362

Structure parameters

• Formula: C48 H98 N2 O23 V6
• Calculated formula: C48 H98 N2 O23 V6
• SMILES: C1[O]2[V]345(O[V]678([O]9CC%10(C[O]%11[V]%12%139(O[V]9%142(=O)[O]2CC1(C[O]5[V]2([O]47%129[V]%11(O3)([O]6C%10)(O%14)=O)(O%13)(O8)=O)COC(=O)CC)=O)COC(=O)CC)=O)=O.[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: 11.135 ± 0.002 Å
• b: 14.9 ± 0.003 Å
• c: 19.855 ± 0.004 Å
• α: 90°
• β: 97.63 ± 0.03°
• γ: 90°
• Cell volume: 3265 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1157
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No