Information card for entry 4314104

Structure parameters

• Formula: As3 H112 Na16.5 Ni6.25 O150 W24
• Calculated formula: As3 Na9.5 Ni6.3 O142.5 W24
• SMILES: [W]1234([O]56[W]78(=[O][Ni]9%10%11%12[O]%13%14=[As]%156[O]6%16[W]%17%18(O1)(=O)O[W]1%19([O]%20%15[W]%15(O1)(O[W]1%16(O%18)(O[W]%166(O%17)(O[W]5(O7)(=[O][Ni]5%13([OH2])([O]=%16)[O]%12[W]67%12([O]%13%16[W]%17(=[O]%10)(=[O][Ni]%10%18%21%22[O]%23%24=[As]%25%26[O]%27%28[W]%29%30(=[O]%21)(=O)O[W]%21%31%27(=[O][Ni]%27%32%23([OH2])[O]%18[W]%13(O%17)(O7)(=O)O[W]7%13%17([O]%18%23[W]%33%34(=[O][Ni]%14([O]9=[As]%16%23[O]%10[Ni]9%24([O]=%33)([O]%277)[O]=[W]7%10%14([O]%16%25[W](O%21)(=[O]%32)(=O)(O7)O[W]7%16(O%14)(O[W]%28(O%30)(O%31)(=O)O[W]%14%16([O]%21%26[W](O%10)(=O)(=[O]9)(O[W]%21(O%29)(=[O]%22)(=O)O%16)O%14)(O7)=O)=O)=O)([O]=1)([O]=%15)[O]5[W]%18(O%12)(O%34)(O%17)=O)(=O)O%13)=O)=O)(=O)O6)=O)(=O)O4)=O)=O)(=O)O[W]%20(O%19)(O8)(=[O]%11)=O)(=O)O2)(=O)O3)=O.[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Structure, Magnetism, and Electrochemistry of the Multinickel Polyoxoanions [Ni~6~As~3~W~24~O~94~(H~2~O)~2~]^17-^, [Ni~3~Na(H~2~O)~2~(AsW~9~O~34~)~2~]^11-^, and [Ni~4~Mn~2~P~3~W~24~O~94~(H~2~O)~2~]^17-^
• Authors of publication: Israel M. Mbomekalle; Bineta Keita; Martine Nierlich; Ulrich Kortz; Patrick Berthet; Louis Nadjo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5143 - 5152
• a: 17.45 ± 0.004 Å
• b: 17.476 ± 0.004 Å
• c: 22.232 ± 0.004 Å
• α: 85.73 ± 0.03°
• β: 89.74 ± 0.03°
• γ: 84.33 ± 0.03°
• Cell volume: 6728 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.2418
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.2087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No