Information card for entry 4318931

Structure parameters

• Formula: H46.5 Na8.5 Ni3 O91.25 P2 W18
• Calculated formula: Na8.5 Ni3 O91.25 P2 W18
• SMILES: [W]123(=O)O[W]45(=O)O[W]6(O1)(=O)O[W]178([O]9[W]%10(O6)(O8)(=[O][Ni]68%11%12[O]%13[Ni]%14%15%16%17[O]%186[Ni]6([O]%15[W]%15([O]%19[W](O4)(O[W]4([O]([W](O3)(O4)(O%10)(=O)=O)=P9%13%19)(O2)(=O)=O)(=[O]%14)(=O)O%15)(O5)(=O)O1)([O]78)([O]=[W]123([O]4[W]5(O[W]78([O]9[W]%10(O7)(O[W]7%13([O]([W](O2)(=[O]6)(=O)(O7)O[W]2(O%13)(O[W](O8)(O%10)(=O)O[W](O5)(O3)(=O)O2)=O)=P%1849)(=[O]%11)=O)(=[O]%12)=O)(=[O]%16)=O)(=[O]%17)(=O)O1)=O)[OH2])=O)=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
• Title of publication: Sandwich-Type Phosphotungstates: Structure, Electrochemistry, and Magnetism of the Trinickel-Substituted Polyoxoanion [Ni~3~Na(H~2~O)~2~(PW~9~O~34~)~2~]^11-^
• Authors of publication: Ulrich Kortz; Israel M. Mbomekalle; Bineta Keita; Louis Nadjo; Patrick Berthet
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6412 - 6416
• a: 12.2467 ± 0.0006 Å
• b: 16.6031 ± 0.0007 Å
• c: 22.4017 ± 0.0012 Å
• α: 73.987 ± 0.001°
• β: 87.606 ± 0.001°
• γ: 79.344 ± 0.002°
• Cell volume: 4302.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0718
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No