Information card for entry 2225677

Structure parameters

• Chemical name: Poly[bis{3,3'-[(biphenyl-4,4'-diyl)dimethylene]diimidazol-1-ium} γ-octamolybdate(VI)]
• Formula: C40 H40 Mo8 N8 O26
• Calculated formula: C40 H40 Mo8 N8 O26
• SMILES: [Mo]1234(=O)O[Mo]56(O[Mo]78(=O)([O]15[Mo]159([O]6[Mo]6(O[Mo]%10(O[Mo](O1)([O]35%10)(=O)(=O)[O]4[Mo]([O]27)(O8)(=O)(=O)=O)(=O)(=O)[O]96)(=O)(=O)O[Mo]12(O[Mo]34(O[Mo]56(O[Mo]78([O]9%10[Mo]%11%12(=O)(O[Mo]9(O[Mo]9%10(=O)(=O)[O]%11[Mo](O9)(=O)(=O)(=O)[O]6%12)(=O)(=O)[O]17)[O]358)(=O)[O]24)(=O)=O)(=O)=O)(=O)=O)=O)=O)(=O)=O.c1(ccc(cc1)Cn1c[nH+]cc1)c1ccc(Cn2c[nH+]cc2)cc1.c1(ccc(cc1)Cn1c[nH+]cc1)c1ccc(Cn2c[nH+]cc2)cc1.c1(ccc(cc1)Cn1c[nH+]cc1)c1ccc(Cn2c[nH+]cc2)cc1.c1(ccc(cc1)Cn1c[nH+]cc1)c1ccc(Cn2c[nH+]cc2)cc1
• Title of publication: Poly[bis{3,3'-[(biphenyl-4,4'-diyl)dimethylene]diimidazol-1-ium} γ-octamolybdate(VI)]
• Authors of publication: Liu, Hongsheng; Su, Lianjiang; Wang, Limin; Li, Weihong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m443 - m444
• a: 9.646 ± 0.0004 Å
• b: 17.337 ± 0.0006 Å
• c: 16.662 ± 0.0006 Å
• α: 90°
• β: 106.145 ± 0.001°
• γ: 90°
• Cell volume: 2676.54 ± 0.17 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: 0.0252
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes