Information card for entry 2210592

Structure parameters

• Chemical name: Poly[bis(4-formylpyridinium) hydronium hexacosaoxosodiooctamolybdate pentahydrate]
• Formula: C12 H27 Mo8 N4 Na O34
• Calculated formula: C12 H27 Mo8 N4 Na O34
• SMILES: c1cc(C(=O)N)cc[nH]1.O.[OH3+].[Na+].O=[Mo]123([O]456[Mo]7(=O)(=O)(O3)O[Mo]348([O]4[Mo]6(=O)([O]6[Mo]59%10(=O)O[Mo]5%11(=O)(O[Mo]46(=O)([O]35%10[Mo]([O]19)(=O)([O]28)(O%11)=O)=O)=O)(O7)=O)=O)=O.O.O=C(c1cc[nH]cc1)N.O.O.O
• Title of publication: Poly[bis(4-formamidopyridinium) hydronium hexacosaoxosodiooctamolybdate pentahydrate]
• 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: m2656 - m2658
• a: 9.2223 ± 0.0005 Å
• b: 9.8307 ± 0.0005 Å
• c: 11.7818 ± 0.0006 Å
• α: 87.1615 ± 0.0008°
• β: 74.7298 ± 0.0008°
• γ: 63.9588 ± 0.0007°
• Cell volume: 923.14 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes