Information card for entry 7206933

Structure parameters

• Formula: C14 H42 N8 O34 V10
• Calculated formula: C14 H42 N8 O34 V10
• SMILES: [O]12345[V]6789[O]%10[V]%11%123(O[V]3%132(O[V]4(O[V]21([O]6[V]146([O]%14%15%169[V]95([O]21)([O]%12[V]1%10%14(O[V]%16(O[V]%15(O7)(O4)(O1)=O)(O9)(O6)=O)O)O%13)=O)(O3)O)(O8)(O%11)=O)=O)=O.OC[N+]12CN3CN(CN(C3)C2)C1.O.O.C1N2CN3CN1C[N+](C2)(C3)CO.O.O
• Title of publication: Three novel organic-inorganic hybrid materials based on decaoxovanadates obtained from a new liquid phase reaction
• Authors of publication: Lv, Yao-Kang; Jiang, Zhan-Guo; Gan, Li-Hua; Liu, Ming-Xian; Feng, Yun-Long
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 314
• a: 12.0418 ± 0.0003 Å
• b: 15.7976 ± 0.0003 Å
• c: 11.0989 ± 0.0003 Å
• α: 90°
• β: 107.98 ± 0.001°
• γ: 90°
• Cell volume: 2008.25 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0469
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No