Information card for entry 7013827

Structure parameters

• Formula: Fe2 H114 Mn2 Na14 O169 P4 W30
• Calculated formula: Fe2 Mn2 Na7 O136 P4 W30
• SMILES: [W]1234(O[W]56(O[W]789(O[W]%10%11%12(O[W]%13%14%15(O[W]%16(O%10)(=O)([O]%12%13P%10([O]%12[W]%13(O%16)(O6)(O[W]6%12(O%14)(O[W]%12%14(O%15)(O[W](O%11)(=O)(O7)(O[W]7%11%15(O[W]%16(O1)(=[O][Fe]1%17%18%19[O]2[Mn]2%20%21([OH2])[O]=[W]%22%23%24(O[W]%25%26%27(O[W]%28%29%30(O[W]%31%32%33(O[W]%34%35(O%28)(=O)[O]%30%31P%28%30[O]%31[W]%36%37(O%35)(O[W]%35(O%34)(O[W](O%29)(O%26)(O[W]%26%29(O%22)(O[W]%22%34(O%35)(=O)[O]%35[Fe]%38%39%40([O]=%26)[O]%261P(=[O]%11)([O]1[W](=O)(O3)(O%13)(O[W]1(O6)(O[W](O%12)(O7)(=O)O[Mn]%35%26([O]=%15)([O]%19[W]1(O%37)([O](P(=[O]%24)([O]%17%20%38)[O]%29%22)[W]3(O[W]%31(O%32)(O[W](O%33)(O%25)(=O)(O[W](O%23)(O3)(=O)=[O]2)[O]%27%28)(O%36)=O)(=[O]%18)(O1)=O)(=O)O%34)[OH2])(=[O]%39)=O)[O]%21%40)[O]4%16)=O)(=O)[O]=%30)=O)=O)=O)=O)=O)=O)(=O)O8)=O)[O]%10%14)=O)=O)=O)=[O]9)O5)=O)=O)=O)=O)=O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.[Na+].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: 13.829 ± 0.009 Å
• b: 13.961 ± 0.016 Å
• c: 23.11 ± 0.01 Å
• α: 90.22 ± 0.06°
• β: 103.26 ± 0.04°
• γ: 118.86 ± 0.07°
• Cell volume: 3769 ± 6 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: 0.1734
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1511
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No