Information card for entry 7206931

Structure parameters

• Formula: C14 H46 N8 O36 V10
• Calculated formula: C14 H46 N8 O36 V10
• SMILES: C1N2C[N+]3(CO)CN1CN(C2)C3.O1[V]234(O[V]5678[O]9[V]%10%11([O]%12[V]%13%14%15%16[O]%1745%11[V](O2)(O%10)(O[V]21%17(O)[O]%13[V]14([O]72)(O[V]25(O6)(O[V]6(O[V]9%12([O]8%15426)(O5)O)(O%14)(O1)=O)=O)=O)(O%16)=O)(O3)=O)=O.O.O.O.C1N2CN3CN1C[N+](CO)(C2)C3.O.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: 9.4462 ± 0.0004 Å
• b: 10.6899 ± 0.0004 Å
• c: 10.917 ± 0.0004 Å
• α: 103.25 ± 0.002°
• β: 98.612 ± 0.002°
• γ: 102.932 ± 0.002°
• Cell volume: 1022.07 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0387
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No