Information card for entry 7013828

Structure parameters

• Formula: Co2 Fe2 H132 Na14 O178 P4 W30
• Calculated formula: Co2 Fe2 Na5 O134 P4 W30
• SMILES: O=[W]1234O[W]567(O[W]89(O1)([O]37P13=[O][W]7%10(O2)(=O)O[W]2(O5)(=O)O[W]5%11(O6)(=O)O[W]6(O8)(O[W]8%12(O[W](O4)(=O)(O7)([O]18)O[W]147(=O)O[W]8%13(O%12)(O[W]%12%14(O6)(=O)O[W]6%15(O%11)(=O)O[W]%11%16(O2)(=O)O[W]2(O%10)(=O)(O1)[O]%11P(=[O]%126)([O]48)[O]14[Co]68%10([O]%16[Fe]%11%12%16([O]%15[Co]%15%174([O]=%14)[O]6%11P46=[O]%11[W]%14%18(O[W]%19%20%21(O[W]%22%23%24(=O)O[W]%25%26%27(=O)O[W]%28%29(=O)(O%22)[O]%23%27P%22(=[O]%21)[O]%21[W]%23(O%24)(=O)(O%20)O[W]%20%21(O%29)(=O)O[W]%21%24(O%28)(=O)O[W]%27(O%26)(=O)(O[W](O%25)(=O)(O%19)O[W]%19%11(=O)(O[W]%11(O%27)(=O)(O[W](O%24)(=O)(O[W]%24(O%20)(=O)(O[W](O%23)(=O)(O%14)([O]6%24)=[O]%12)=[O]%16)([O]4%11)=[O]%10)[O]8[Fe]1([O]=7)([O]=%13)([OH2])[O]%15%19)O%18)[O]%22%21)=O)(=O)=[O]%17)[OH2])[O]=2)=O)(O9)=O)([O]35)=O)=O)=O.[Na+].[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O
• Title of publication: Mixed-metal sandwich complexes [M(II)2(H2O)2Fe(III)2(P2W15O56)2]14- (M(II) = Co, Mn): synthesis and stability. The molecular structure of [M(II)2(H2O)2Fe(III)2(P2W15O56)2]14-.
• Authors of publication: Ruhlmann, Laurent; Canny, Jacqueline; Vaissermann, Jacqueline; Thouvenot, René
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 5
• Pages of publication: 794 - 800
• a: 13.6645 ± 0.0016 Å
• b: 13.8257 ± 0.0016 Å
• c: 21.173 ± 0.002 Å
• α: 92.352 ± 0.009°
• β: 95.65 ± 0.009°
• γ: 118.634 ± 0.008°
• Cell volume: 3475.9 ± 0.7 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.1515
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections: 0.1558
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0657
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No