Information card for entry 4306609

Structure parameters

• Formula: C3 K9.75 Na1.25 Ni9 O107.5 Si2 W18
• Calculated formula: C3 K9.75 Na1.25 Ni9 O107.5 Si2 W18
• SMILES: [W]1234(=O)O[W]567(O[W]89(O1)(O[W]1%10%11(O[W]%12%13(O2)([O]24[W]4(O3)(O%13)(=O)O[W]3%13(O[W]%14%15(O4)(=[O][Ni]4%16%17%18[O]%15([W](O%12)(O%14)(=O)(=[O]4)O1)[Si]12[O]8%11[Ni]2([O]=%10)([O]=9)([O]4[Ni]89([O]=5)([O]731)[O]%13[Ni]([O]9C1[O]3[Ni]54([O]%168)([O]%172)OC(=O)O[Ni]2473[O]5C(O%18)=[O][Ni]3589[O]=[W]%10%11%12(O[W]%13%14%15(O[W]%16%17%18(=O)=[O][Ni]%19([O]%13%18[Si]%13%18[O]3%12[W]3(O%10)(=O)(=[O]5)O[W]5%10%12(=O)=[O][Ni]%20([O]%13%12[W](O%16)(O%10)(=O)(=[O]%20)O[W]%10%12(O%17)(=O)O[W]%13(O3)(O5)([O]%18%12[W](O%15)(O%11)(O%10)(=O)O%13)=O)([O]28)([O]4%19)[O]=1)([O]=%14)([O]79)[OH2])=O)=O)([OH2])([OH2])([OH2])[OH2])[OH2])=O)(O6)=O)=O)=O)=O)=O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Octa- and Nonanuclear Nickel(II) Polyoxometalate Clusters: Synthesis and Electrochemical and Magnetic Characterizations
• Authors of publication: Céline Pichon; Pierre Mialane; Anne Dolbecq; Jérôme Marrot; Eric Rivière; Bassem S. Bassil; Ulrich Kortz; Bineta Keita; Louis Nadjo; Francis Sécheresse
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11120 - 11128
• a: 13.6466 ± 0.0005 Å
• b: 22.9583 ± 0.0008 Å
• c: 23.234 ± 0.0008 Å
• α: 63.423 ± 0.002°
• β: 73.476 ± 0.001°
• γ: 89.82 ± 0.002°
• Cell volume: 6175.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No