Information card for entry 4314106

Structure parameters

• Formula: H105 Mn2 Na17 Ni4 O146.5 P3 W24
• Calculated formula: Na9 Ni6 O146.5 P3 W24
• SMILES: [W]123(=O)O[W]45(=O)O[W]67([O]89[W]%10%11(O6)(O[W]6%12([O]%13[W]%14(O4)(O[W]4%15([O]%16[W]%17(O2)(=[O][Ni]2%18%19([O]%20([Ni]%21%22([O]2=P2%23[O]%24[Ni]%25%26%27%28[O]%29%30[Ni]%31%32%33%24[O]=[W]%24%34([O]%352[W]2%36([O]%31[Ni]%31%29([O]%26[W]%26%29([O]%23[W]%23(O[W]%35(O%24)(O2)(=O)[O]%19[Ni]%20([O]=%15)([O]=%14)([O]%22%23)[OH2])(O[W](=[O]%21)(=[O]%25)(=O)O%26)(O%29)=O)(O%36)=O)([O]=[W]2%14%15([O]%19[W]%20(O[W]%21(=O)(O[W]%22%23(=O)O[W]%24%25([O]%26%29[W](O%24)(O[W]%24([O]([W](O%22)(O%15)(=[O]%31)(=O)O%24)=P%30%19%29)(O%23)(=[O]%27)=O)(=[O]%28)(=O)O[W]%26(O%25)(O%20)(=[O]%33)=O)(O%21)=O)O2)(=[O]%32)(=O)O%14)=O)[OH2])(O%34)=O)(=[O]%18)=O)([O]=%12)[O]=%10)=P9%13%16)[O]=[W]8(O7)(O%17)(O%11)=O)(=O)O4)(O3)=O)(=O)O6)(O5)=O)=O)(O1)=O.[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.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: 17.54 ± 0.004 Å
• b: 22.303 ± 0.005 Å
• c: 35.067 ± 0.007 Å
• α: 90°
• β: 95.87 ± 0.03°
• γ: 90°
• Cell volume: 13646 ± 5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1895
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No