Information card for entry 2220060

Structure parameters

• Chemical name: bis[2,2'-dimethyl-3,3'-(butane-1,4-diyl)diimidazol-1-ium] β-octamolybdate
• Formula: C24 H40 Mo8 N8 O26
• Calculated formula: C24 H40 Mo8 N8 O26
• SMILES: c1c[nH+]c(C)n1CCCCn1cc[nH+]c1C.O=[Mo]123(=O)O[Mo]45(=O)(=O)[O]6[Mo]78([O]914[Mo]1(O3)(=O)(=O)[O]7[Mo]34(=O)(=O)O[Mo]7%10(=O)(=O)[O]38%11[Mo]9([O]14)(=O)(O7)[O]5[Mo]6%11(O%10)(=O)=O)(=O)O2.c1c[nH+]c(C)n1CCCCn1cc[nH+]c1C
• Title of publication: A new β-octamolybdate(VI) salt based on 1,4-bis(2-methyl-1<i>H</i>-imidazol-1-yl)butane
• Authors of publication: Li, Shun-Li; Tan, Ke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1487
• a: 10.568 ± 0.0003 Å
• b: 11.489 ± 0.0005 Å
• c: 11.56 ± 0.0008 Å
• α: 60.777 ± 0.001°
• β: 68.155 ± 0.001°
• γ: 70.4 ± 0.001°
• Cell volume: 1116.29 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes