Information card for entry 4320642

Structure parameters

• Formula: Cu3 Fe2 H0 Na16 O142.75 P4 W28
• Calculated formula: Cu3 Fe2 Na16 O142.75 P4 W28
• SMILES: [W]1234(=O)O[W]567(=O)O[W]89(=O)(O1)O[W]1%10%11(O[W]%12%13(O6)(O[W]6%14(O5)(O[W]5%15(O2)(=O)O[W]2%16(O3)(O[W](O8)(O1)(=O)([O]2=P([O]479)([O]65)[O]%10%12)=[O][Cu]12([O]=[W]34(O%11)(O[W]56(O%13)(O[W]78(O%14)(O[W]9%10(O%15)(=[O][Cu]([O]=%16)([OH2])(O1)([O]2=P([O]79)([O]35)[O]1[Fe]235([O]=%10)[O]8[Cu]789([O]6[Fe]6%101([O]=4)[O]=[W]14%11([O]%12[W]%13(=[O]8)(O[W]8%14([O]%15[W]%16(=[O]3)(O[W]3%17(=[O]2)([O]([W](=[O]6)(O4)(=O)(O3)O[W]234(O[W]6%18(O%11)(O[W]%11%19(O%13)(O[W]%13%20(O%14)(O[W]%14%21(O%16)(O[W]%16(O%17)(=O)(O2)[O]3=P([O]23[W]%17(O%16)(O%21)(O[W]3(O4)(O%18)(=O)O[W]2(O%20)(O%19)(O%17)=O)=O)([O]%13%14)[O]6%11)=O)=O)=O)=O)=O)=P%12%15[O]59%10)=O)(=O)O8)(=[O]7)=O)(=O)O1)=O)[OH2])[OH2])=O)=O)=O)=O)([OH2])[OH2])=O)=O)=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.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: 13.4413 ± 0.0009 Å
• b: 21.259 ± 0.0015 Å
• c: 25.5207 ± 0.0018 Å
• α: 80.475 ± 0.002°
• β: 85.555 ± 0.002°
• γ: 89.563 ± 0.002°
• Cell volume: 7170.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0803
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No