Information card for entry 1571992

Structure parameters

• Chemical name: Ag38-Zn
• Formula: C216 H367 Ag38 N46 O75 Si W9 Zn4
• Calculated formula: C136 H207 Ag38 N6 O55 Si W9 Zn4
• SMILES: [Ag]123[Ag]4[C]2([Ag][C]2([Ag]5[N]([Ag][C]3([Ag]31[Ag]1[C]4([Ag][C]4([Ag][C]6([Ag]7[Ag]8([C]97[Ag]([C]([Ag]7[O]%10[W]%11%12%13(O[W]%14%15%16(O[W]%17%18%19(O[W]%20%21%22(=O)O[W]%23%24([O]%25%26[Si]%27%28[O]%29%30[W]%31(O%17)(=O)([O]%17[Ag]%32[C]%33([Ag]%34[C]%35([Ag]%36[Ag]%37%35([Ag]([C]%35([Ag][C]%36([Ag][C]%36%38[Ag]%39([C]#%38C(C)(C)C)[C]%38([Ag]6([Ag]%38[C]8([Ag]6[Ag]([C]([Ag]%36)([Ag]%33)#CC(C)(C)C)[C]6([Ag]6[O]%14[Zn]8%14%10([O]%11%15%27)[O]76C(C)=[O][Zn]67%10%11[O]=C(C)[O]%15%32[Ag]([Ag])[O]%27[W]%32%29(O[W]%25(O[W](O%32)(=O)(O%20)([O]%18%22%28)O%19)(=[O][Ag]%18[C]([Ag]%35)([Ag][C]31#CC(C)(C)C)#[C]%18C(C)(C)C)(=[O][Zn]%26([O]=%24)([O]5C(C)=[O]6)([O]7[Zn]%30%17%15%27[O]8%10)[O]%14%11)O%23)(=O)O%31)#CC(C)(C)C)#CC(C)(C)C)[O]%13%21)#[C]%39C(C)(C)C)#CC(C)(C)C)#CC(C)(C)C)[C]%37([Ag])#CC(C)(C)C)ON(=O)=O)#[C]%34C(C)(C)C)#CC(C)(C)C)O%16)(O%12)=O)=O)=O)=O)([Ag][C]([Ag]2)([Ag]4)#CC(C)(C)C)#CC(C)(C)C)[C]#9C(C)(C)C)ON(=O)=O)#CC(C)(C)C)#CC(C)(C)C)#CC(C)(C)C)#CC(C)(C)C)([Ag]ON(=O)=O)#CC)#CC(C)(C)C)#CC(C)(C)C.N(=O)(=O)[O-].CC#N
• Title of publication: Development of non-closed silver clusters by transition-metal-coordination-cluster substituted polyoxometalate templates.
• Authors of publication: Ge, Rui; Cai, Ping-Wei; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 31
• Pages of publication: 12543 - 12549
• a: 21.911 ± 0.003 Å
• b: 23.503 ± 0.003 Å
• c: 30.979 ± 0.004 Å
• α: 104.882 ± 0.004°
• β: 94.518 ± 0.004°
• γ: 92.303 ± 0.004°
• Cell volume: 15340 ± 4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1041
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.2019
• Weighted residual factors for all reflections included in the refinement: 0.2262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No