Information card for entry 1561599

Structure parameters

• Formula: C28 H62 N24 O38 V10 Zn2
• Calculated formula: C28 H40 N24 O38 V10 Zn2
• SMILES: [Zn]([OH2])([n]1ncn(c1)CCCn1cnnc1)([n]1cn(nc1)CCCn1c[n]([Zn]([OH2])([OH2])([OH2])([OH2])[n]2cn(CCCn3nc[n]([Zn]([OH2])([n]4ncn(c4)CCCn4cnnc4)([OH2])([n]4ncn(c4)CCCn4cnnc4)[n]4cn(nc4)CCCn4c[n]([Zn]([OH2])([OH2])([OH2])[OH2])nc4)c3)cn2)nc1)([OH2])([n]1ncn(c1)CCCn1cnnc1)[n]1cn(nc1)CCCn1cnnc1.[V]1234(=O)O[V]567(O[V]89(=O)(O1)[O]1%1025[V]25%11(O[V]%12%13%14(=O)O[V]%15%16(=O)(O[V]%17(=O)(O%12)O[V]([O]2[V]1(=O)(O9)O7)(=O)(O%13)O[V]%10([O]%11%14%15)(O6)(O%17)[O]4%16)[O]35)O8)=O.[V]1234(=O)O[V]567(O[V]89(=O)(O1)[O]1%1025[V]25%11(O[V]%12%13%14(=O)O[V]%15%16(=O)(O[V]%17(=O)(O%12)O[V]([O]2[V]1(=O)(O9)O7)(=O)(O%13)O[V]%10([O]%11%14%15)(O6)(O%17)[O]4%16)[O]35)O8)=O.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: 9.951 ± 0.005 Å
• b: 10.817 ± 0.005 Å
• c: 15.729 ± 0.005 Å
• α: 78.366 ± 0.005°
• β: 81.2 ± 0.005°
• γ: 78.845 ± 0.005°
• Cell volume: 1615.5 ± 1.2 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: 0.0477
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.177
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No