Information card for entry 2210511

Structure parameters

• Chemical name: Poly[bis(triethylammonium) tetraethylammonium hexacosaoxopotassiooctamolybdate]
• Formula: C20 H52 K Mo8 N3 O26
• Calculated formula: C20 H52 K Mo8 N3 O26
• SMILES: [K+].[O]=[Mo]1234O[Mo]56(=O)([O]784[Mo]49%10([O]%11[Mo]%12([O]1[Mo]7%11(=O)(O5)=O)(=O)(=O)[O]134[Mo]3([O]2[Mo]8(=O)(=O)([O]93)O6)(=O)(O[Mo]1(O%10)(O%12)(=O)=O)=O)=O)=O.C(C)[NH+](CC)CC.C(C)[N+](CC)(CC)CC.C(C)[NH+](CC)CC
• Title of publication: Poly[bis(triethylammonium) tetraethylammonium hexacosaoxopotassiooctamolybdate]
• Authors of publication: Bo Liu; Chuan-Bi Li; Zhou Shi; Yan-Wei Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2764 - m2766
• a: 25.2665 ± 0.0013 Å
• b: 10.9129 ± 0.0006 Å
• c: 18.7274 ± 0.001 Å
• α: 90°
• β: 121.666 ± 0.001°
• γ: 90°
• Cell volume: 4395 ± 0.4 ų
• Cell temperature: 186 ± 2 K
• Ambient diffraction temperature: 186 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes