Information card for entry 4349533

Structure parameters

• Formula: C50 H94 N2 O23 V6
• Calculated formula: C50 H94 N2 O23 V6
• SMILES: C12(C[O]3[V]456([O](C2)[V]278([O]9%10%116[V]6%12(O4)(O[V]3%10([O]2C1)(O[V]19([O]6CC2(C[O]1[V]%11(O5)([O]%12C2)(O8)=O)COC(=O)C(=C)C)(O7)=O)=O)=O)=O)=O)COC(=O)C(=C)C.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Synthesis, crystal structure and spectroscopic studies of a series of hexavanadate hybrids with multiple functional groups
• Authors of publication: Huang, Bo; Xiao, Zicheng; Wu, Baolin; Hu, Xiaokang; Hu, Xunliang; Wu, Pingfan; Wei, Yongge
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 165
• a: 11.02 ± 0.002 Å
• b: 15.154 ± 0.003 Å
• c: 19.352 ± 0.004 Å
• α: 90°
• β: 97.36 ± 0.03°
• γ: 90°
• Cell volume: 3205.1 ± 1.1 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 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: 0.053
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.383
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No