Information card for entry 4344380

Structure parameters

• Formula: H101 Li5 Na5 Ni3 O111 P2 W16
• Calculated formula: H9 Ni3 O65 P2 W16
• SMILES: [O]123P45=[O]6[W]789(O[W]%10%113(O[W]3%122(O[W]2%13%14([O]4[W]4%15(O[W]6(O[W]1(O%10)(O4)(O%12)=O)(O[W]146(O[W]%10%12([O]%16P%17%18=[O]%19[W]%20%21%22(O[W]%23([O]5[W](O%13)(O3)(O%23)(O[W]3%19(O%20)(O[W]%16(O%14)(=[O][Ni]5%13([OH2])([OH]%14[W]%16([OH]%19[Ni]%14([O]=[W]([O]1%17)(O8)(O4)(O%21)=O)([O]=%22)([OH2])[O]%18%13[Ni]%19([OH2])([OH]5%16)([O]=6)[O]=%10)(=O)(=O)=O)[O]=3)(O%12)=O)=O)=O)(O%11)(O7)=O)=O)(O%15)=O)=O)(O9)=O)(O2)=O)=O)=O)=O)=O
• Title of publication: Syntheses, Structural Characterization, and Catalytic Properties of Di- and Trinickel Polyoxometalates.
• Authors of publication: Guo, Weiwei; Lv, Hongjin; Bacsa, John; Gao, Yuanzhe; Lee, Je Seong; Hill, Craig L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 461 - 466
• a: 24.364 ± 0.005 Å
• b: 24.299 ± 0.005 Å
• c: 28.863 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17087 ± 6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1678
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No