Information card for entry 4320643

Structure parameters

• Formula: Co3 Fe2 H0 Na3 O130 P4 W28
• Calculated formula: Co3 Fe2 Na3 O130 P4 W28
• SMILES: O=[W]1234O[W]567(=O)O[W]8(=O)(O1)O[W]19%10(=O)O[W]%11%12(O6)(=O)O[W]6%13(O5)(=O)O[W]5%14(O2)(=O)[O]6P(=[O]9%11)([O]47)[O]2[W]4(O8)(O1)(=O)O[W]2(O3)(=O)(O[W]12(=O)O[W]36(O5)(=O)O[W]57(O%13)(O[W]89(O%12)(=O)O[W]%11%12(O%10)(=O)O[W]%10(O4)(=O)([O]=P([O]8%11)([O]35)O[Fe]34([O]=%12)([O]=%10)[O]5[Co]([O]=7)([O]=9)([O]7[Fe]8([O]=2)([O]=6)[O]=[W]269(=[O][Co]%10%11([OH2])O[Co]%12%13([OH2])([O]=[W]%15%16(O3)(O[W]3%175(O[W]7(O2)(=O)([O]6P(=[O]48)([O]%153)[O]%10%12)O[W]23(O[W]45(O9)(O[W]6(=[O]%11)(=O)O[W]78(=[O]%13)(O[W]9%10(O%16)(O[W]%11(O%17)(O2)(=O)[O]9P(=[O]7)(O4)[O]2[W]4(O3)(O%11)(O[W](O6)(O5)(=O)O[W]2(O8)(O%10)(=O)O4)=O)=O)=O)=O)=O)=O)=O)[OH2])=O)[OH2])O1)=O)O%14.[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Asymmetric Sandwich-Type Polyoxoanions. Synthesis, Characterization, and X-ray Crystal Structures of Diferric Complexes [TMIIFeIII2(P2W15O56)(P2TMII2W13O52)]16-, TM = Cu or Co
• Authors of publication: Travis M. Anderson; Kenneth I. Hardcastle; Nelya Okun; Craig L. Hill
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6418 - 6425
• a: 14.8737 ± 0.0018 Å
• b: 22.936 ± 0.003 Å
• c: 24.337 ± 0.003 Å
• α: 71.566 ± 0.002°
• β: 72.499 ± 0.002°
• γ: 89.342 ± 0.002°
• Cell volume: 7479.7 ± 1.6 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2487
• Residual factor for significantly intense reflections: 0.1534
• Weighted residual factors for significantly intense reflections: 0.2686
• Weighted residual factors for all reflections included in the refinement: 0.3016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.298
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No