Information card for entry 4346913

Structure parameters

• Formula: C124 Cl12 Cu4 Fe N7 O72 Si2 W18
• Calculated formula: C124 Cl12 Cu4 Fe N7 O72 Si2 W18
• SMILES: [O]12[W]34(=O)O[W]567(=O)O[W]89%10(=O)=[O][Cu]%11%12%13[O]%14[Fe]1%15%16%17[O]5[Si]15[O]%18%19[W]%20%21(O4)(=O)O[W]4%22(O3)(=O)=[O][Cu]3([O]%17[W]%17%23%24(=O)O[W]%25%14(=O)O[W]%14%26%27(=O)=[O][Cu]%28%29([O]7%16)[O]=[W]7%16(=O)(O%14)O[W]%14%30%31(=O)=[O][Cu]2%32(O%29)[O]=[W]2(=O)(O%23)(O%14)[O]%30%32[Si]([O]%15%17)([O]7%27%28)[O]7%14[W]%15(O%25)(O%26)(O[W]7(O%24)(O2)(O[W]%14(O%31)(O%16)(O%15)=O)=O)=O)([O]=[W]2(=O)(O[W](=[O]%12)(=O)(O9)([O]1%10%11)O[W]%18(O%20)(=O)(O2)O[W]%19(O6)(O%21)(O8)=O)(O4)[O]53%22)O%13.C(CCl)Cl.C(CCl)Cl.ClCCCl.C(CCl)Cl.O.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCl)Cl.C(CCl)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: 19.2687 ± 0.0002 Å
• b: 29.5016 ± 0.0003 Å
• c: 19.311 ± 0.0002 Å
• α: 90°
• β: 110.777 ± 0.0009°
• γ: 90°
• Cell volume: 10263.6 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1103
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.2265
• Weighted residual factors for all reflections included in the refinement: 0.2404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No