Information card for entry 2218851

Structure parameters

• Chemical name: Tetrakis(1-ethyl-3-methylimidazolium) β-hexacosaoxidooctamolybdate
• Formula: C24 H44 Mo8 N8 O26
• Calculated formula: C24 H44 Mo8 N8 O26
• SMILES: c1n(cc[n+]1C)CC.c1n(cc[n+]1CC)C.[O]12[Mo]345(=O)[O]89[Mo]%10%11%12([O]%153[Mo]31([O]%10[Mo]29(O[Mo](O%12)(O[Mo]18([O]4[Mo]%15([O]%111)(O[Mo](O5)(O3)(=O)=O)(=O)=O)(=O)=O)(=O)=O)(=O)=O)(=O)=O)=O.c1n(cc[n+]1C)CC.c1n(cc[n+]1CC)C
• Title of publication: Tetrakis(1-ethyl-3-methylimidazolium) β-hexacosaoxidooctamolybdate
• Authors of publication: Lin, Shiwei; Chen, Weilin; Zhang, Zhiming; Liu, Wenli; Wang, Enbo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m954
• a: 15.6338 ± 0.0006 Å
• b: 16.9231 ± 0.0006 Å
• c: 17.938 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4745.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes