Information card for entry 2216187

Structure parameters

• Chemical name: bis{4,4'-[(2,2'-bi-1H-imidazole-1,1'-diyl)dimethylene]dipyridinium} β-octamolybdate
• Formula: C36 H36 Mo8 N12 O26
• Calculated formula: C36 H36 Mo8 N12 O26
• SMILES: c1cn(Cc2cc[nH+]cc2)c(c2nccn2Cc2cc[nH+]cc2)n1.O=[Mo]1234[O]5[Mo]67(=O)(=O)[O]8[Mo]95([O]5%104[Mo](O1)(O[Mo]1%10(=O)(=O)[O]3[Mo]34([O]1[Mo]185(=O)[O]263[Mo](O1)(O7)(=O)(=O)O4)(=O)=O)(=O)(=O)O9)(=O)=O.c1cn(c(c2nccn2Cc2cc[nH+]cc2)n1)Cc1cc[nH+]cc1
• Title of publication: Bis{4,4'-[(2,2'-bi-1<i>H</i>-imidazole-1,1'-diyl)dimethylene]dipyridinium} β-octamolybdate
• Authors of publication: Ya-Qian Lan; Jun-Sheng Qin; Zhong-Min Su
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2817 - m2817
• a: 23.164 ± 0.0004 Å
• b: 10.474 ± 0.0005 Å
• c: 22.777 ± 0.0008 Å
• α: 90°
• β: 112.494 ± 0.001°
• γ: 90°
• Cell volume: 5105.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes