Information card for entry 7044864

Structure parameters

• Formula: C56 H106 N10 O23 V6
• Calculated formula: C56 H106 N10 O23 V6
• SMILES: C1C2(C[O]3[V]456(=O)O[V]789([O]%10%11%125[V]5%13([O]14)([O]([V]3%10(O7)(O[V]1%11(=O)(O5)[O]8CC3(Cn4cc(C(=O)OCC)nn4)C[O]1[V]%12(O%13)(O6)(=O)[O]9C3)=O)C2)=O)=O)Cn1cc(C(=O)OCC)nn1.[N+](CCCC)(CCCC)(CCCC)CCCC.N#CC.[N+](CCCC)(CCCC)(CCCC)CCCC.N#CC
• Title of publication: Diversified polyoxovanadate derivatives obtained by copper(i)-catalysed azide-alkyne cycloaddition reaction: their synthesis and structural characterization.
• Authors of publication: Jia, Hongli; Li, Qi; Bayaguud, Aruuhan; Huang, Yichao; She, Shan; Chen, Kun; Wei, Yongge
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 2
• Pages of publication: 577 - 584
• a: 10.4326 ± 0.0003 Å
• b: 11.8963 ± 0.0003 Å
• c: 16.2638 ± 0.0005 Å
• α: 109.899 ± 0.003°
• β: 108.196 ± 0.003°
• γ: 91.399 ± 0.002°
• Cell volume: 1783.66 ± 0.1 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 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: 0.0643
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No