Information card for entry 7106363

Structure parameters

• Formula: C54 H110 N2 O23 V6
• Calculated formula: C54 H110 N2 O23 V6
• 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: 11.375 ± 0.002 Å
• b: 15.453 ± 0.003 Å
• c: 19.841 ± 0.004 Å
• α: 90°
• β: 97.54 ± 0.03°
• γ: 90°
• Cell volume: 3457.5 ± 1.2 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: 0.0522
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No