Information card for entry 2217733

Structure parameters

• Common name: bis[(tris(tetraethylammonium)Hexacosaoxaoctamolybdate ammonium]
• Chemical name: Ammonium tris(tetraethylammonium) hexacosaoxidooctamolybdate
• Formula: C24 H64 Mo8 N4 O26
• Calculated formula: C24 H64 Mo8 N4 O26
• SMILES: CC[N+](CC)(CC)CC.C(C)[N+](CC)(CC)CC.C(C)[N+](CC)(CC)CC.[O]12[Mo]34([O]5[Mo]678(O[Mo]9%10([O]%118([Mo]8%121([O]137[Mo](O8)(=O)(=O)(O4)O[Mo]31([O]6[Mo]%11([O]%123)(=O)(=O)O9)(=O)=O)=O)[Mo]25(=O)(=O)O%10)(=O)=O)=O)(=O)=O.[NH4+]
• Title of publication: Ammonium tris(tetraethylammonium) hexacosaoxidooctamolybdate
• Authors of publication: Zebiri, Ikram; Bencharif, Le\?ïla; Direm, Amani; Bencharif, Mustapha; Benali-Cherif, Nourredine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m474 - m475
• a: 10.7154 ± 0.0002 Å
• b: 22.8873 ± 0.0003 Å
• c: 19.9338 ± 0.0002 Å
• α: 90°
• β: 96.906 ± 0.008°
• γ: 90°
• Cell volume: 4853.23 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes