Information card for entry 7206255

Structure parameters

• Formula: C26 H32 Mo8 N4 O26
• Calculated formula: C26 H32 Mo8 N4 O26
• SMILES: c1cccc[n+]1CCC[n+]1ccccc1.O1[Mo]2(O[Mo]34(O[Mo]51(=O)(O[Mo](O[Mo]16([O]2[Mo](O[Mo](O6)(=O)[O]45)(O1)(=O)(O[Mo](O3)(=O)=O)=O)(=O)=O)(=O)=O)=O)(=O)=O)=O.c1cccc[n+]1CCC[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: 10.2659 ± 0.0004 Å
• b: 20.0891 ± 0.0008 Å
• c: 10.3753 ± 0.0004 Å
• α: 90°
• β: 100.633 ± 0.001°
• γ: 90°
• Cell volume: 2102.99 ± 0.14 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: 0.0296
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No