Information card for entry 4346915

Structure parameters

• Formula: C122 Cl12 Cu4 Dy2 F24 Fe N6 O80 Si2 W18
• Calculated formula: C122 Cl12 Cu4 Dy2 F24 Fe N6 O80 Si2 W18
• SMILES: C(C1=CC(C(F)(F)F)=[O][Dy]2345([O]6[W]789(=O)O[W]%10%11%12(=[O][Cu]%13%146[O]8%11[Si]68[O]%11[W]%15%16(=O)(O[W]%17%18([O]%19[Fe]%20%21%22%11[O]([Cu]%11%23([O]2[W]2%24(=O)([O]37)O[W](=[O]%11)(=O)(O%17)([O]6%232)O[W]23([O]68[W](O%15)(O%12)(O2)(O[W]6(O9)(O%24)(O3)=O)=O)(O%18)=O)[O]4%13)[W]234(=O)O[W]6([O]%14%20)(=O)O[W]789(=[O][Cu]%11%12([O]%16%21)[O]%13[W]%14%15(=O)([O]%16[W]%17%18%20([O]%21[Cu]%23%19([O]=[W]%19(=O)(O2)(O%17)[O]%18%23[Si]([O]%223)([O]8%11%14)[O]23[W]8(O6)(O9)(O[W]2(O4)(O%19)(O[W]3(O%20)(O%15)(O8)=O)=O)=O)[O]%12[Dy]23%13%16%21(OC(=CC(C(F)(F)F)=[O]2)C(F)(F)F)OC(=CC(C(F)(F)F)=[O]3)C(F)(F)F)=O)O7)=O)=O)O%10)=O)(O1)OC(=CC(C(F)(F)F)=[O]5)C(F)(F)F)(F)(F)F.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.O.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.O.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: Sequential Synthesis of 3d-3d'-4f Heterometallic Heptanuclear Clusters in between Lacunary Polyoxometalates.
• Authors of publication: Sato, Rinta; Suzuki, Kosuke; Minato, Takuo; Yamaguchi, Kazuya; Mizuno, Noritaka
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 2023 - 2029
• a: 19.7403 ± 0.0001 Å
• b: 20.1328 ± 0.0002 Å
• c: 26.5264 ± 0.0002 Å
• α: 90°
• β: 100.694 ± 0.0004°
• γ: 90°
• Cell volume: 10359.2 ± 0.14 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 10
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No