Information card for entry 7043282

Structure parameters

• Formula: C12 H27 N3 O33.25 V6
• Calculated formula: C12 H27 N3 O33.25 V6
• SMILES: C12(C[O]3[V]45(=O)[O](C2)[V]267([O]8[V]93(=O)([O]2C1)[O]1[V]2(O4)([O]3CC(C[O]9[V]483(=O)[O]3[V]([O]6CC(C[O]74)([NH3+])C3)(=O)(O2)O5)([NH3+])C1)=O)=O)[NH3+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Syntheses and post-functionalization of tri-substituted polyalkoxohexavanadates containing tris(alkoxo) ligands
• Authors of publication: Wei, Yongge; Xiao, Zicheng; Hu, Xunliang; Hu, Xiaokang; Huang, Bo; Cheng, Min; Wu, Pingfan; Lin, Xinjun
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 19.094 ± 0.002 Å
• b: 19.094 ± 0.002 Å
• c: 19.094 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6961.3 ± 1.3 ų
• Cell temperature: 103.7 K
• Ambient diffraction temperature: 103.7 K
• Number of distinct elements: 5
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No