Information card for entry 2204946

Structure parameters

• Chemical name: bis[2-(4-pyridinio)-1H-benzimidazolium] hexacosaoxooctamolybdenum(VI)
• Formula: C24 H22 Mo8 N6 O26
• Calculated formula: C24 H22 Mo8 N6 O26
• SMILES: c12ccccc1[nH+]c(c1cc[nH+]cc1)[nH]2.O=[Mo]123(=O)O[Mo]45(=O)(O[Mo]678(=O)[O]9[Mo]%10%11(=O)(=O)O[Mo]%12%13(=O)(O[Mo]%14%15(=O)([O]%10[Mo]9(=O)(=O)(O4)[O]156%14)[O]7%11%12[Mo](=O)(=O)(O%13)([O]38)[O]2%15)=O)=O.c12ccccc1[nH+]c(c1cc[nH+]cc1)[nH]2
• Title of publication: Bis[2-(4-pyridinio)-1<i>H</i>-benzimidazolium] hexacosaoxooctamolybdate(VI)
• Authors of publication: Li-Juan Chen; Chang-Kun Xia; Quan-Zheng Zhang; Can-Zhong Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m92 - m94
• a: 11.304 ± 0.003 Å
• b: 9.485 ± 0.003 Å
• c: 17.835 ± 0.005 Å
• α: 90°
• β: 97.434 ± 0.002°
• γ: 90°
• Cell volume: 1896.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes