Information card for entry 2214238

Structure parameters

• Chemical name: Tetrabenzimidazolium hexacosaoxidooctamolybdate
• Formula: C28 H28 Mo8 N8 O26
• Calculated formula: C28 H28 Mo8 N8 O26
• SMILES: c1cc2c(cc1)[nH]c[nH+]2.[nH]1c2ccccc2[nH+]c1.O=[Mo]1234O[Mo]56(O[Mo]78([O]3[Mo]39([O]%10%112[Mo]2%12([O]1[Mo]1([O]457[Mo]%11(=O)(O[Mo]%10(O2)(=O)(=O)O3)([O]89)[O]1%12)(O6)(=O)=O)(=O)=O)(=O)=O)(=O)=O)(=O)=O.c1cc2c(cc1)[nH]c[nH+]2.c1ccc2[nH]c[nH+]c2c1
• Title of publication: Tetrabenzimidazolium hexacosaoxidooctamolybdate(VI)
• Authors of publication: Wen Zhi; Zhan-Guo Zong; Jie Gong; Chuan-Bi Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m2002 - m2002
• a: 9.229 ± 0.001 Å
• b: 10.225 ± 0.001 Å
• c: 11.966 ± 0.002 Å
• α: 84.51 ± 0.002°
• β: 83.261 ± 0.002°
• γ: 73.667 ± 0.001°
• Cell volume: 1073.8 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0202
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections included in the refinement: 0.0407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes