Information card for entry 2226009

Structure parameters

• Chemical name: Tetrakis(2-methylbenzimidazolium) β-octamolybdate(VI)
• Formula: C32 H36 Mo8 N8 O26
• Calculated formula: C32 H36 Mo8 N8 O26
• SMILES: Cc1[nH]c2c(cccc2)[nH+]1.Cc1[nH]c2c([nH+]1)cccc2.[Mo]1234([O]5[Mo]67(O[Mo](O1)(=O)(O[Mo]18(=O)(=O)[O]2[Mo]29(=O)(O[Mo]%10(O[Mo]%115(=O)(=O)[O]6[Mo]([O]32%11)([O]471)(=O)([O]89)O%10)(=O)=O)=O)=O)(=O)=O)=O.Cc1[nH]c2c(cccc2)[nH+]1.Cc1[nH]c2c([nH+]1)cccc2
• Title of publication: Tetrakis(2-methylbenzimidazolium) β-octamolybdate(VI)
• Authors of publication: Hao, Lujiang; Zhang, Xiaofei; Chen, Jiangkui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m505
• a: 10.4831 ± 0.0012 Å
• b: 17.803 ± 0.002 Å
• c: 13.794 ± 0.002 Å
• α: 90°
• β: 112.305 ± 0.005°
• γ: 90°
• Cell volume: 2381.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0314
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes