Information card for entry 1561600

Structure parameters

• Formula: C16 H56 N12 O44 V10 Zn3
• Calculated formula: C16 H24 N12 O44 V10 Zn3
• SMILES: [Zn]1([OH2])([OH2])([OH2])([O]=[V]2345O[V]678(O[V]9%10(=O)([O]%11%1226[V]26%13([O]%14[V]%11(=O)(O3)(O7)[O]3[V]%12(O%13)(O%10)(O8)O[V]78(O[V](O2)(O[V]%143(=O)O8)(=O)O[V]([O]96)(=O)O7)=[O][Zn]([OH2])([OH2])([OH2])[n]2cn(CCCCn3c[n](nc3)[Zn]([OH2])([OH2])([OH2])([O]=[V]367O[V]8(O[V]9%10%11%12O[V]%13(O%12)(O[V]%12(O[V]%14(O[V](O[V](=O)O%14)(=[O][Zn]([OH2])([OH2])([OH2])[n]%14cn(CCCCn%15c[n]1nc%15)cn%14)(O%12)O%11)(=O)O%13)(=O)O%10)(O[V](O9)(O8)(=O)O6)O7)(=O)O[V](=O)O3)[n]1cn(CCCCn3cnnc3)cn1)cn2)O5)O4)=O)[n]1cn(CCCCn2cnnc2)cn1.[Zn]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Zn]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O
• Title of publication: Tuning the microstructures of decavanadate-based supramolecular hybrids via regularly changing the spacers of bis(triazole) ligands
• Authors of publication: Wang, Mo; Sun, Wenlong; Pang, Haijun; Ma, Huiyuan; Yu, Jia; Zhang, Zhuanfang; Niu, Ying; Yin, Mingming
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2016
• Journal volume: 235
• Pages of publication: 175 - 182
• a: 10.838 ± 0.005 Å
• b: 11.934 ± 0.005 Å
• c: 12.293 ± 0.005 Å
• α: 94.944 ± 0.005°
• β: 111.881 ± 0.005°
• γ: 107.708 ± 0.005°
• Cell volume: 1369.3 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No