Information card for entry 2211416

Structure parameters

• Chemical name: Poly[bis(imidazolium) hexahydroxooctadecaoxodisodiohexamolybdonickelate dihydrate]
• Formula: C6 H20 Mo6 N4 Na2 Ni O26
• Calculated formula: C6 H20 Mo6 N4 Na2 Ni O26
• SMILES: c1[nH]cc[nH+]1.[Ni]12345[O]6[Mo]78(O[Mo]9(=O)(O[Mo]%10(=O)([O]49)([O]5[Mo]4([O]1[Mo]1([O]3[Mo]6(=O)(O1)(=O)O7)(O4)(=O)=O)(=O)(=O)O%10)=O)(=O)[O]28)(=O)=O.[Na+].O.c1[nH]cc[nH+]1.[Na+].O
• Title of publication: Poly[bis(imidazolium) hexahydroxooctadecaoxodisodiohexamolybdonickelate dihydrate]
• Authors of publication: Bo Liu; Shi Zhou; Chuan-Bi Li; Hong-Gang Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3188 - m3190
• a: 7.1305 ± 0.0007 Å
• b: 14.0039 ± 0.0014 Å
• c: 14.7479 ± 0.0015 Å
• α: 90°
• β: 102.874 ± 0.001°
• γ: 90°
• Cell volume: 1435.6 ± 0.2 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: 0.0299
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes