Information card for entry 2200503

Structure parameters

• Chemical name: Di-4,4'-bipridine Hexacosaoxooctamolybdate
• Formula: C20 H20 Mo8 N4 O26
• Calculated formula: C20 H20 Mo8 N4 O26
• SMILES: c1c[nH+]ccc1c1cc[nH+]cc1.[O][Mo]123(O[Mo]456([O]789[Mo]%10%11(=O)(=O)[O]4[Mo]4(O2)(=O)(=O)[O]235[Mo]3(O1)([O]6[Mo]71(O[Mo]8(=O)(O[Mo]29([O]%104)(=O)[O]31)(=O)O%11)(=O)=O)(=O)=O)=O)=O.c1c[nH+]ccc1c1cc[nH+]cc1
• Title of publication: Bis[4,4'-bipyridinium(2+)] hexacosaoxooctamolybdate
• Authors of publication: Chuan-De Wu; Can-Zhong Lu; Hong-Hui Zhuang; Jin-Shun Huang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: m349 - m351
• a: 10.7493 ± 0.0002 Å
• b: 15.2255 ± 0.0001 Å
• c: 10.7828 ± 0.0002 Å
• α: 90°
• β: 93.84 ± 0.001°
• γ: 90°
• Cell volume: 1760.79 ± 0.05 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes