Information card for entry 7057239

Structure parameters

• Formula: C21 H51 Fe3 N14 Na3 O73 Sb2 W18
• Calculated formula: C13.25 H19.25 Fe3 N10.25 Na3 O71 Sb2 W18
• SMILES: O1[W]234(O[W]567([O]82[Sb]2[O]9%10[W]%11%12%13(O[W]%14%10(O[W]%10%15(O[W]%16%17(O%11)(O[W]([O]2%10%16)(=O)(O%15)([O]2[Na]%10%11([O]%17[Fe]%15%16([O]%12[Na]%12%17%18([O]%19[W]9(O[W]18([O]1[Fe]8%19([n]9c[nH]cc9)[O]9[Na]%19%201([O]3[Fe]12([O]%19[W]23%19(O[W]%21%22%23(O[W]%24%25%26(O[W]%27(O2)(O[W]2([O]%24%27[Sb]%24[O]%27%28[W]%29(O[W]%28(O[W]9([O]3%21%24)(=O)([O]%20%19)O%23)([O]%178)(O[W]%27(O%29)(O%22)(=O)O%25)=O)(=O)([O]%16%18)O2)(=O)(O%26)[O]%11%15)(=O)[O]%101)=O)=O)=O)[n]1cc[nH]c1)[OH2])(O7)=O)(=O)([O]%13%12)O%14)[OH2])[n]1cc[nH]c1)([OH2])[OH2])O4)=O)(=O)O6)(O5)=O)=O)=O)=O.[nH]1cc[nH+]c1.[nH]1cc[nH+]c1.O
• Title of publication: A novel sandwich-tungstoantimonate cluster with FeII ions: synthesis, magnetic property and electrochemical sensing of dopamine
• Authors of publication: Sun, Minghui; Wang, Tianqi; Li, Fengyan; Sun, Zhixia; Xu, Lin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 9
• Pages of publication: 7480
• a: 32.614 ± 0.004 Å
• b: 15.7648 ± 0.0015 Å
• c: 25.292 ± 0.003 Å
• α: 90°
• β: 111.421 ± 0.003°
• γ: 90°
• Cell volume: 12106 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1286
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.2061
• 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: Yes
• Has Fobs: No