Information card for entry 2209848

Structure parameters

• Chemical name: Poly[tetrakis(4-aminopyridinium) [hexadeca-μ-oxo-decaoxooctamolybdate]]
• Formula: C20 H28 Mo8 N8 O26
• Calculated formula: C20 H28 Mo8 N8 O26
• SMILES: [Mo]12(=O)([O]3[Mo]456([O]1[Mo]17([O]86[Mo]69([O]%104[Mo]3(O2)(=O)(=O)O[Mo]2%10(O5)(=O)[O]9[Mo]3(O[Mo]459([O]%10[Mo]%11(O2)([O]2[Mo]%12%13%10(=O)[O]%10%14[Mo]2(O%11)(=O)(=O)O[Mo]%10(O%12)(=O)[O]2[Mo]%10(=O)([O]%11[Mo]%142(=O)([O]4%13[Mo]%11(O%10)(=O)(=O)O9)O5)(=O)=O)(=O)=O)=O)([O]6[Mo]8(O3)(=O)(=O)O7)(=O)=O)(=O)O1)=O)=O)(=O)=O.[nH+]1ccc(N)cc1.[nH+]1ccc(N)cc1.[nH+]1ccc(N)cc1.[nH+]1ccc(N)cc1.[nH+]1ccc(N)cc1.[nH+]1ccc(N)cc1.[nH+]1ccc(N)cc1.[nH+]1ccc(N)cc1
• Title of publication: Poly[tetrakis(4-aminopyridinium) [hexadeca-μ-oxo-decaoxooctamolybdate(VI)]]
• Authors of publication: Nelson, James R.; Narducci Sarjeant, Amy; Norquist, Alexander J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1731 - m1733
• a: 7.768 ± 0.0018 Å
• b: 11.923 ± 0.002 Å
• c: 12.208 ± 0.004 Å
• α: 63.03 ± 0.02°
• β: 74.37 ± 0.02°
• γ: 79.22 ± 0.017°
• Cell volume: 967.7 ± 0.5 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0407
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for all reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0465
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8827
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes