Information card for entry 7120258

Structure parameters

• Formula: C84 Ag2 Cr Mn4 N7 O70 Si2 W18
• Calculated formula: C84 Ag2 Cr Mn4 N7 O70 Si2 W18
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[O]12[W]34(=O)O[W]567([O]8[Cr]9%10%111[O]1[W]%12%13(=O)O[W]%14%15%16([O]9[Mn]9%17%18[O]=[W]%19%20%21(=O)O[W]%22%23%24(=[O][Mn]%251([O]1[W]%26%27(=O)([O]5[Ag]51([O]1[W]%28%29(=O)(O[W]%30%31%32(=[O][Mn]%3381O[Mn]182[O]2[Ag]%34([N]#CC)([O]3[W]3(=O)([O]9%34)(O%19)[O]%18%20[Si]([O]6%10)([O]%23%25%26)[O]6[W]9(O4)(O[W]6(O7)(O%27)(O[W](O%24)(O%21)(O9)=O)=O)(=O)O3)[O]%14[W]342(=O)O[W]2(=[O]1)(=O)(O%30)[O]83[Si]([O]%11%15)([O]%28%31%33)[O]1[W]3(O%13)(O%29)(O[W]1(O%16)(O4)(O[W](O2)(O%32)(O3)=O)=O)=O)=O)[O]%125)[N]#CC)O%22)O%17)=O)=O)=O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: A modular synthesis approach to multinuclear heterometallic oxo clusters in polyoxometalates
• Authors of publication: Minato, Takuo; Suzuki, Kosuke; Ohata, Yusuke; Yamaguchi, Kazuya; Mizuno, Noritaka
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 14.5907 ± 0.0002 Å
• b: 14.8029 ± 0.0002 Å
• c: 19.3294 ± 0.0003 Å
• α: 68.621 ± 0.001°
• β: 80.4 ± 0.001°
• γ: 66.545 ± 0.001°
• Cell volume: 3565.21 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.1977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No