Information card for entry 2212645

Structure parameters

• Common name: Disodium bis(2-aminopyridinium) hexahydrogen hexamolybdonickelate(II) dihydrate
• Chemical name: disodium bis(2-aminopyridinium) hexa-μ~3~-hydroxido-hexa-μ~2~oxido-dodecaoxido-hexamolybdonickelate(II) dihydrate
• Formula: C10 H24 Mo6 N4 Na2 Ni O26
• Calculated formula: C10 H24 Mo6 N4 Na2 Ni O26
• SMILES: c1[nH+]c(N)ccc1.[Na+].[O]=[Mo]123([O]4[Ni]5678[O]9[Mo]%10([O]5[Mo]5([O]8[Mo]4(O3)(=O)(O5)=O)(=O)(=O)O%10)(=O)(O[Mo]39([O]7[Mo]([O]16)(=O)(=O)(O3)O2)(=O)=O)=O)=O.O.c1cccc([nH+]1)N.[Na+].O
• Title of publication: Disodium bis(2-aminopyridinium) hexahydrogen hexamolybdonickelate(II) dihydrate
• Authors of publication: Hong Liu; Lin Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m872 - m874
• a: 6.859 ± 0.002 Å
• b: 14.63 ± 0.003 Å
• c: 16.129 ± 0.003 Å
• α: 90°
• β: 107.372 ± 0.002°
• γ: 90°
• Cell volume: 1544.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0479
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes