Information card for entry 4313185

Structure parameters

• Formula: As4 Fe4 Na11 O167.5 W30
• Calculated formula: As4 Fe4 Na11 O167.5 W30
• SMILES: [Na+].O.[Na+].O.O.O.[Na+].O.O.O.O=[W]1234O[W]567(=O)O[W]89(=O)(O[W]%10%11%12(=O)O[W]%13%14(=O)(O6)O[W]6%15%16(=O)O[W]%17%18(O5)(=O)O[W]5%19(=O)(O1)O[W]1%20(=O)(O2)O[W]2%21%22(=O)O[W]%23(=O)(O5)(O%17)[O]%21[As](=[O]7%18)([O]9[W](=O)(O1)(O2)(O8)O[W]12(O%10)(=O)O[W]57(=O)(O%22)O[W]8(=O)(O%23)(O%16)[O]9[Fe]%10%16%17([O]=[W]%18%21%22(=O)O[W]%23%24%25(=O)O[W]%26%27%28(=O)O[W]%29%30%31(=O)O[W]%32%33(=O)(O%26)O[W]%26%34%35(=O)O[W]%36%37(=O)(O%30)O[W]%30(=O)(O%29)(O%24)[O]%25=[As]([O]%24[W]%25(=O)(O%32)(O%26)O[W]%24(=O)(O%27)(O%23)O[W]%23%24(=O)(O%18)O[W]%18%26(=O)(O%25)O[W]%25%27(=O)(O%35)O[W]%29%32(=O)(O%37)O[W]%35(=O)(O%30)(O%21)[O]%10[Fe]%10([OH2])([O]=%11)([O]%29[Fe]%11([O]=%13)([O]6[Fe]9([OH2])([O]=%23)([O]=%18)[O]%17%11[As](=[O]%27%32)([O]%24%26)[O]%22%35)([O]=%25)[O]%16%10[As](=[O]78)([O]%14%15)[O]%122)[O]=1)([O]%34%36)[O]%28%31%33)[O]=5)[O]4%19%20)O3.[Na+].O.[Na+].O.O.O.O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].O.O.O.O.[Na+].O.[Na+].O.O.O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Multi-Iron Tungstodiarsenates. Synthesis, Characterization, and Electrocatalytic Studies of αββα-(FeIIIOH2)2FeIII2(As2W15O56)212-
• Authors of publication: Israel Martyr Mbomekalle; Bineta Keita; Louis Nadjo; Patrick Berthet; Kenneth I. Hardcastle; Craig L. Hill; Travis M. Anderson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1163 - 1169
• a: 13.4341 ± 0.0011 Å
• b: 13.7628 ± 0.0011 Å
• c: 22.999 ± 0.0018 Å
• α: 90.246 ± 0.002°
• β: 102.887 ± 0.002°
• γ: 116.972 ± 0.001°
• Cell volume: 3667 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No