Information card for entry 7206259

Structure parameters

• Formula: C34 H48 Mo8 N4 O26
• Calculated formula: C34 H48 Mo8 N4 O26
• SMILES: c1cccc[n+]1CCCCCCC[n+]1ccccc1.[O]12[Mo]345(=O)O[Mo]6(O[Mo]78([O]3[Mo]39([O]%105[Mo]5%11([O]([Mo]1([O]475)(=O)(O6)=O)[Mo]2%10(=O)(=O)O[Mo](O9)(=O)(=O)O%11)([O]83)=O)(=O)=O)(=O)=O)(=O)=O.c1cccc[n+]1CCCCCCC[n+]1ccccc1
• Title of publication: Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates
• Authors of publication: Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 16
• Pages of publication: 5071
• a: 11.2831 ± 0.0007 Å
• b: 18.3289 ± 0.0011 Å
• c: 11.9515 ± 0.0007 Å
• α: 90°
• β: 90.873 ± 0.001°
• γ: 90°
• Cell volume: 2471.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No