Information card for entry 4346916

Structure parameters

• Formula: C140 Fe Gd2 Mn4 N11 O82 Si2 W18
• Calculated formula: C140 Fe Gd2 Mn4 N11 O82 Si2 W18
• SMILES: [O]12[W]34(=O)O[W]56([O]7[Fe]89%101O[Si]1%11[O]%12%13[W]%14%15(=[O][Mn]%16%17%13[O]9[W]9%13(=O)O[W]%18([O]8[Mn]8%19%20[O]=[W]%21%22(O5)(O[W]5%23([O]%241[W](O4)(O%15)(O5)(=O)O[W]1%24(O%23)(O[W]4([O]8[Gd]58%15([O]%16[W]%12(O%14)(=O)([O]45)O1)([O]%17%20)(OC(=CC(C)=[O]8)C)OC(=CC(C)=[O]%15)C)(=O)(O%21)[O]%11%19%22)=O)(O6)=O)=O)(=O)O[W]145(=[O][Mn]687[O]7[W]%11%12(=O)([O]%14[W]%15%16%17([O]%19[Gd]%20%217%14([O]8[Mn]72%19[O]=[W]2(=O)(O9)(O%15)[O]%167[Si](O%10)([O]46%11)[O]46[W]7(O%18)(O5)(O[W]4(O%13)(O2)(O[W]6(O%17)(O%12)(O7)=O)=O)=O)(OC(=CC(C)=[O]%20)C)OC(=CC(C)=[O]%21)C)=O)O1)=O)(=O)O3)=O.C(C)#N.C(#N)C.O.O.C(CCC)[N+](CCCC)(CCCC)CCCC.C(C[N+](CCCC)(CCCC)CCCC)CC.C(CCC)[N+](CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.C(C)#N.C(C)#N.O.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: 30.3095 ± 0.0005 Å
• b: 23.785 ± 0.0004 Å
• c: 33.7132 ± 0.0006 Å
• α: 90°
• β: 112.54 ± 0.0009°
• γ: 90°
• Cell volume: 22447.7 ± 0.7 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: 0.1337
• Residual factor for significantly intense reflections: 0.1005
• Weighted residual factors for significantly intense reflections: 0.2872
• Weighted residual factors for all reflections included in the refinement: 0.3123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No