Information card for entry 7221971

Structure parameters

• Formula: C42 H118 Bi2 Cu7 N28 Na4 O97 W18
• Calculated formula: C42 H50.8 Bi2 Cu7 N28 Na3 O84.66 W18
• SMILES: [Bi]12[O]34[W]567(=O)O[W]894(O[W]43(O5)(=O)O[W]35%10(=O)O[W]%11%12(O[W]%13(O3)(=O)(O[W]3%14%15(O[W]%16(O[W](O3)(O6)([O]3[Cu]6%17[O]%18[Na]%193([OH2])([OH2])[O]3[Cu]%20([O]%21[Na]%22([O]%23[Cu]%24([O]%25[Na]([O]76)([O]4%24)([OH2])([OH2])[O]%17[W]467([O]%17%24[Bi]%26[O]%27%28[W]%29%303(O[W]%18%27(O4)(O[W]3%28(O[W]4%24(O[W]%18%24([O]%27%26[W]%23(O[W]%25%17(O7)(=O)O4)(=O)(O%18)O[W]%21%27(O%30)(O%24)=O)(O3)=O)(=O)O6)(=O)O%29)=O)=O)=O)[O]5%22)([O]%13%20)([OH2])[OH2])[O]%14%19)([O]2%15%16)=O)(O%11)(=O)O9)=O)[O]1%10%12)(O8)=O)=O.c1c[nH]c[n]1[Cu]([n]1c[nH]cc1)([n]1c[nH]cc1)[n]1c[n](cc1)[Cu]([n]1cc[nH]c1)([n]1cc[nH]c1)[n]1c[nH]cc1.O.O.O.O.O.O.O.O.O.O.O.O.O.c1c[nH]c[n]1[Cu]([n]1c[nH]cc1)([n]1c[nH]cc1)[n]1c[n](cc1)[Cu]([n]1cc[nH]c1)([n]1c[nH]cc1)[n]1cc[nH]c1
• Title of publication: Synergistic Effect of Sandwich Polyoxometalates and Copper-Imidazole Complexes for Enhancing Peroxidase-like Activity
• Authors of publication: Chai, Dong-Feng; Ma, Zhuo; Yan, Hong; Qiu, Yunfeng; Liu, Hong; Guo, Huadong; Gao, Guang-Gang
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 14.052 ± 0.002 Å
• b: 32.528 ± 0.003 Å
• c: 17.992 ± 0.002 Å
• α: 90°
• β: 103.462 ± 0.002°
• γ: 90°
• Cell volume: 7997.9 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1305
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No