Information card for entry 4308283

Structure parameters

• Formula: C12 H26 Ag6 Mo24 N24 O81 P2
• Calculated formula: C12 H24 Ag6 Mo24 N24 O81 P2
• SMILES: c1([n]2[Ag][n]3c[nH]c([n]3[Ag][n]3c[nH]c([n]3[Ag][n]3c[nH]c([n]3[Ag][n]3c[nH]c([n]3[Ag][n]3c[nH]c([n]3[Ag][n]2c[nH]1)N)N)N)N)N)N.O1[Mo]234(=O)O[Mo]567([O]89=P%10%11[O]%122[Mo]2%131(=O)O[Mo]1%12(O4)(=O)O[Mo]4%12%14(O[Mo]%15(=O)(O3)(O6)O[Mo]3(=O)(O[Mo]69(=O)(O[Mo]8(O5)(O[Mo]58(O[Mo]9(=O)(O[Mo](O4)(=O)([O]%1059)(O1)O8)(O3)O6)(=O)O2)(=O)O%13)O7)([O]%11%12%15)O%14)=O)=O.O.O1[Mo]234(=O)O[Mo]567(=O)[O]82=P29[O]%10%11[Mo]%12%13%14(O[Mo]18(=O)(O[Mo]18(O[Mo]%15%16%17(=O)O[Mo]%18%11(=O)(O[Mo]%10(O[Mo]%10%11(O[Mo]%19(=O)(O[Mo](=O)([O]2%10%19)(O[Mo](O1)(=O)([O]98%15)(O5)O%17)(O6)O%11)(O%16)O%18)(=O)O3)(=O)(O%12)O4)O%13)(=O)O%14)O7)=O
• Title of publication: Construction of Ag/1,2,4-Triazole/Polyoxometalates Hybrid Family Varying from Diverse Supramolecular Assemblies to 3-D Rod-Packing Framework
• Authors of publication: Quan-Guo Zhai; Xiao-Yuan Wu; Shu-Mei Chen; Zhen-Guo Zhao; Can-Zhong Lu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 5046 - 5058
• a: 17.6706 ± 0.0006 Å
• b: 17.6706 ± 0.0006 Å
• c: 23.5201 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6360.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No