Information card for entry 7206262

Structure parameters

• Formula: C40 H60 Mo8 N4 O26
• Calculated formula: C40 H60 Mo8 N4 O26
• SMILES: c1cccc[n+]1CCCCCCCCCC[n+]1ccccc1.O1[Mo]23(=O)(=O)[O]4[Mo]56(=O)(=O)O[Mo]78(O[Mo]9%10(=O)(=O)[O]%11[Mo]%12%13(=O)(=O)[O]%14%152[Mo]1(O%12)(=O)(=O)O[Mo]4%14([O]579[Mo]%11%15(=O)([O]36)O8)(=O)[O]%10%13)(=O)=O.c1cccc[n+]1CCCCCCCCCC[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: 11.1947 ± 0.0008 Å
• b: 17.5265 ± 0.0013 Å
• c: 14.1876 ± 0.001 Å
• α: 90°
• β: 97.351 ± 0.001°
• γ: 90°
• Cell volume: 2760.8 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.033
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No