Information card for entry 7043285

Structure parameters

• Formula: C12 H30 N3 Na2 O22 V6
• Calculated formula: C12 H30 N3 Na2 O22 V6
• SMILES: C1C2(C[O]3[V]45(=O)O[V]67(=O)O[V]8(=O)(O5)[O]5CC9(C[O]%10[V]%11(=O)([O]4C2)([O]1[V]123([O]%11[V]35%10(=O)[O]7CC(C[O]23)(C[O]61)N)=O)[O]8C9)N)N.[Na+].[Na+].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: 19.168 ± 0.002 Å
• b: 19.168 ± 0.002 Å
• c: 19.168 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7042.6 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0543
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No