Information card for entry 7043284

Structure parameters

• Formula: C18 H52 N2 O23 V6
• Calculated formula: C18 H52 N2 O23 V6
• SMILES: [V]1234([O]5678[V]9%10%11(=O)[O]%12[V]%13%147([O]7[V]%155([O]9CC(CC)(C[O]3%15)C[O]4%11)(=O)[O]3[V]8([OH][V]46([OH]1)([O]%10CC(C[O]%134)(CC)C%12)=O)([OH]2)(=O)[O]%14CC(CC)(C7)C3)=O)=O.O.[NH4+].O.O.O.[NH4+]
• 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: 9.9874 ± 0.0003 Å
• b: 26.3528 ± 0.001 Å
• c: 16.3613 ± 0.0004 Å
• α: 90°
• β: 127.62 ± 0.001°
• γ: 90°
• Cell volume: 3410.86 ± 0.19 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 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: 0.0344
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No