Information card for entry 4346912

Structure parameters

• Formula: C144 Dy2 Fe Mn4 N13 O80 Si2 W18
• Calculated formula: C144 Dy2 Fe Mn4 N13 O80 Si2 W18
• SMILES: [O]12[W]34(=O)O[W]567([O]8[Fe]9%10%111[O]6[Si]16[O]%12%13[W]%14%15([O]=[Mn]%16%17%13[O]%10[W]%10%13%18(=O)O[W]%19([O]9[Mn]9%20%21[O]=[W]%22%23(O5)(O[W]5%24([O]1[W](O4)(O%15)(O5)(=O)O[W]1(O%24)(O[W]4([O]9[Dy]59%15([O]%16[W]%12(O%14)(=O)([O]45)O1)([O]%17%21)([O]=C(C)C=C(C)O9)OC(=CC(C)=[O]%15)C)(=O)(O%22)[O]6%20%23)=O)(O7)=O)=O)(=O)O[W]145(=[O][Mn]678[O]8[W]9%12(=O)([O]%14[W]%15%16%17([O]%20[Dy]%21%228%14([O]7[Mn]72%20[O]=[W]2(=O)(O%10)(O%15)[O]%167[Si]([O]%11%13)([O]469)[O]4[W]6(O%19)(O5)(O[W]4(O%18)(O2)(O[W](O%17)(O%12)(=[O]6)=O)=O)=O)([O]=C(C)C=C(C)O%21)OC(=CC(C)=[O]%22)C)=O)O1)=O)(=O)O3)=O.C(#N)C.C(#N)C.C(#N)C.O.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.C(#N)C.C(#N)C.C(#N)C.O.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.CCCC[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: 30.2746 ± 0.0007 Å
• b: 23.7787 ± 0.0006 Å
• c: 33.6356 ± 0.0008 Å
• α: 90°
• β: 112.202 ± 0.0011°
• γ: 90°
• Cell volume: 22418.7 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1356
• Residual factor for significantly intense reflections: 0.1067
• Weighted residual factors for significantly intense reflections: 0.2669
• Weighted residual factors for all reflections included in the refinement: 0.2822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No