Information card for entry 2211837

Structure parameters

• Chemical name: Poly[diammonium hexahydroxyoctadecaoxodisodiohexamolybdonickelate dihydrate]
• Formula: H26 Mo6 N2 Na2 Ni O30
• Calculated formula: H26 Mo6 N2 Na2 Ni O30
• SMILES: [Mo]123([OH]4[Mo]5(O2)([OH]2[Mo]6([OH]7[Mo]8([OH]9[Mo]%10(O[Mo]%11([OH]1[Ni]4279[OH]%10%11)(O3)(=O)=O)(O8)(=O)=O)(=O)(=O)O6)(=O)(=O)O5)(=O)=O)(=O)=O.[Na+].[Na+].O.O.O.O.O.O.[NH4+].[NH4+]
• Title of publication: Poly[diammonium diaquahexahydroxyoctadecaoxodisodiohexamolybdonickelate(II)]
• Authors of publication: Bo Liu; Li Feng; Shi Zhou; Chuan-Bi Li; Wei Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: i14 - i15
• a: 11.7792 ± 0.001 Å
• b: 10.9353 ± 0.0009 Å
• c: 11.7793 ± 0.001 Å
• α: 90°
• β: 116.223 ± 0.004°
• γ: 90°
• Cell volume: 1361.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes