Information card for entry 4308282

Structure parameters

• Formula: C16 H28 Ag4 Mo8 N12 O26
• Calculated formula: C16 H28 Ag4 Mo8 N12 O26
• SMILES: Cc1[nH]c(C)[n]2[n]1[Ag][n]1c(C)[nH]c(C)[n]1[Ag][n]1c(C)[nH]c(C)[n]1[Ag][n]1c(C)[nH]c(C)[n]1[Ag]2.O=[Mo]123(=O)[O]456[Mo]78(=O)(=O)O[Mo]4(=O)(=O)(O2)O[Mo]524([O]59%10[Mo]%11%126([O]1[Mo]9(=O)(=O)(O[Mo]%10(O%11)(=O)(=O)O[Mo]5([O]7%12)(=O)(=O)[O]82)[O]34)=O)=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: 22.381 ± 0.002 Å
• b: 11.269 ± 0.0007 Å
• c: 19.0866 ± 0.0018 Å
• α: 90°
• β: 119.119 ± 0.004°
• γ: 90°
• Cell volume: 4205.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No