Information card for entry 7044998

Structure parameters

• Formula: C108 H86 N18 Ni3 O67 Sb2 W18
• Calculated formula: C108 H86 N18 Ni3 O67 Sb2 W18
• SMILES: [W]1234(O[W]567(O[W]89(O1)(=O)O[W]1%10%11(O[W]%12%13(O5)(O[W]5%14(O6)(O[W]6%15(O2)(O[W]2%16(O3)(O[W]3(O8)(=O)(O1)[O]9%10[Sb]([Sb]18[O]9%10[W]%17%18(O%16)(O[W]%16%19(O3)(O[W]3%20(O%11)(O[W]%11%21(O%13)(O[W]%13%22(O%14)(O[W]9(O%15)(=O)(O%17)O[W]9%10(O%18)(O[W]([O]8%11%13)(O%21)(O%22)(O[W](=O)([O]1%163)(O%20)(O%19)O9)=O)=O)=O)=O)=O)=O)=O)([O]462)[O]7%125)=O)=O)=O)=O)=O)=O)=O.[Ni]123([n]4cccc5c4c4[n]1cccc4cc5)([n]1cccc4c1c1[n]2cccc1cc4)[n]1cccc2c1c1[n]3cccc1cc2.[Ni]123([n]4cccc5c4c4[n]1cccc4cc5)([n]1cccc4c1c1[n]2cccc1cc4)[n]1cccc2c1c1[n]3cccc1cc2.[Ni]123([n]4cccc5c4c4[n]1cccc4cc5)([n]1cccc4c1c1[n]2cccc1cc4)[n]1cccc2c1c1[n]3cccc1cc2.O.O.O.O.O.O.O
• Title of publication: Two novel Dawson-like tungstoantimonates with difunctional photocatalytic and magnetic properties.
• Authors of publication: Shi, Lin; Gao, Xiao-Mei; Liu, Ting-Yu; Huang, Xiao-Hui; Gong, Zhi-Hui; Chen, Yi-Ping; Sun, Yan-Qiong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 4
• Pages of publication: 1347 - 1354
• a: 13.8933 ± 0.0012 Å
• b: 33.825 ± 0.003 Å
• c: 30.729 ± 0.003 Å
• α: 90°
• β: 91.389 ± 0.001°
• γ: 90°
• Cell volume: 14437 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.103
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No