Information card for entry 7118667

Structure parameters

• Formula: C176 H266 Ag41 B0 F0 N7 O78 Si2 W22
• Calculated formula: C176 H264 Ag41 N7 O78 Si2 W22
• SMILES: [Ag]123([Ag]45[Ag]6789[Ag]%10[C]7([Ag]76[Ag]6%11[C]7([Ag]7[Ag]%12[C]%137[Ag]7([C]%14%15[Ag]%16%17(O[W]%18%19%20%21[O]%22[Si]%23%24[O]%25%26[W]%27%28%29([O]%30[Ag]%311([O]1[W]%25(=O)(O%18)(O[W]%18%25([O]%24[W]%24%32(O[W]%33%34%35([O]%23[W]%23%36%37([O]%33[Ag]%33[C]%38%39[Ag]%40[C]3([Ag]3[C]6([Ag][C]6%12[Ag]%12([C]#6C(C)(C)C)[C]6([Ag]%38(O%34)([C]#%39C(C)(C)C)[C]%12#6C(C)(C)C)[Ag]6[C]%12([Ag]%34[Ag]%38%39%41%12[Ag]%12%42[Ag]%43%44([Ag]%45([O]%38[W]%38(O%24)(O%18)[O]%18[Ag]%24([O]%20[Ag]%20%18O[W]%18%22(O%27)(O%23)O[Ag]%22%23([C]([Ag][C]58#CC(C)(C)C)([Ag]([O]%21%18)[C]%10%16#[C]%17C(C)(C)C)#[C]%22C(C)(C)C)[C]5([Ag]8([O]%36)([C]%33([Ag][C]24#CC(C)(C)C)#[C]8C(C)(C)C)[C]%23#5C(C)(C)C)[Ag]2[C]([Ag][N]#CC)([Ag]4[C]%44%45%20#[C]4C(C)(C)C)#[C]2C(C)(C)C)[C]2([Ag]4[Ag]2([C]2([Ag]([O]%38)([C]5%12[Ag]([C]8%34[Ag]([C]#8C(C)(C)C)[C]8([Ag]([C]%10%24[Ag]%14[C]#%10C(C)(C)C)[C]#8C(C)(C)C)[Ag]2)[C]#5C(C)(C)C)[C]%434#CC(C)(C)C)#CC(C)(C)C)[N]#CC)#CC(C)(C)C)([O]%35%39)O%37)[C]%41%42#CC(C)(C)C)#[C]6C(C)(C)C)#[C]3C(C)(C)C)#[C]%40C(C)(C)C)O%28)O[W]%26%301(O%32)=O)(=O)O%25)(O%19)=O)[O]%29%31)[C]9%11#CC(C)(C)C)=O)[C]7#%15C(C)(C)C)[C]#%13C(C)(C)C)#CC(C)(C)C)#CC(C)(C)C)[N]#CC.[Si]123[O]45[W]678(O[W]9%10%11([O]%122[W]2%13(O[W]%14%15([O]%161[W]1(O6)(O[W]64(O7)(O[W]45(O8)(O[W]%12(O%11)(O2)(=O)O[W]25([O]73[W]3(O6)(O[W]%16(O1)(O%15)(=O)O[W]7(O3)(O%13)(O5)=O)(O2)=O)(O4)=O)=O)=O)(O%14)=O)(=O)O9)(O%10)=O)=O)=O.N#CC.N#CC.N#CC.N#CC.O
• Title of publication: The transformation of polyoxometalates in the formation of intercluster compound [Ag41(α-SiW10O37)((t)BuC[triple bond, length as m-dash]C)27(CH3CN)3][β-SiW12O40].
• Authors of publication: Liu, Kuan-Guan; Liu, Xi-Yan; Guan, Zong-Jie; Shi, Kang; Lin, Yu-Mei; Wang, Quan-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 19
• Pages of publication: 3801 - 3804
• a: 20.0748 ± 0.0004 Å
• b: 26.1979 ± 0.0006 Å
• c: 28.8126 ± 0.0006 Å
• α: 104.876 ± 0.002°
• β: 90.485 ± 0.002°
• γ: 92.908 ± 0.002°
• Cell volume: 14622.7 ± 0.6 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No