Information card for entry 7037888

Structure parameters

• Formula: C12 H60 Fe2 N8 Na2 O88 Sb2 W20
• Calculated formula: C12 H20 Fe2 N8 Na2 O88 Sb2 W20
• SMILES: [nH]1c[nH+]cc1.O=[W]123(O[W]456(O[W]789(O[W]%10%11(=O)(O4)O[W]4%12(=O)(O[W]%13%14%15(=[O][Fe]([O]=4)([O]=[W]4%16%17(O2)O[W]2%18%19(O[W]%20%21(O1)(O[W]1%22([O]%23%20[W]%20(=O)(O[W]%24%25%26(=O)=[O][Fe]([O]=%20)([OH2])([OH2])([OH2])[O]=[W]%20%27(O3)(O[W]3%28(O7)(O[W]7(O[W](=O)(O[W]%29%30(O[W]%31(O2)([O]%16%18[Sb]%23[O]%25%30[W](=O)(O%29)(O%31)(O1)O%24)(=O)O%17)(O%26)=O)(=O)(O%20)O4)([O]%13([Sb]([O]5%10%12)[O]9%273)[W](=O)(O7)(O%28)(O%11)O%14)(=O)O%15)=O)O8)(O%22)O%21)(=O)O%19)=O)=O)([OH2])([OH2])[OH2])=O)O6)=O)=O)=O.c1[nH]cc[nH+]1.O.O.[Na+].O.O.O.O.c1[nH]cc[nH+]1.O.[Na+].O.O.O.O.O.c1[nH]cc[nH+]1
• Title of publication: Synthesis of [Sb2W20Fe(H2O)6O70](10-) with iron powder under mild conditions and its applications in both catalytic Fenton reaction and electrochemical sensing of ascorbic acid.
• Authors of publication: Sun, Minghui; Li, Fengyan; Yu, Longjiao; Wang, Ya; Xu, Lin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 6
• Pages of publication: 2417 - 2421
• a: 13.017 ± 0.005 Å
• b: 13.539 ± 0.005 Å
• c: 17.702 ± 0.005 Å
• α: 68.517 ± 0.005°
• β: 79.923 ± 0.005°
• γ: 62.222 ± 0.005°
• Cell volume: 2568.4 ± 1.6 ų
• Cell temperature: 191 ± 2 K
• Ambient diffraction temperature: 191 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No