Information card for entry 7225205

Structure parameters

• Formula: C32 H46 Ag4 Mo24 N24 O90 P2
• Calculated formula: C32 H32 Ag4 Mo24 N24 O90 P2
• SMILES: c1[n]2[Ag][n]3cn(n[n]3[Ag]([n]3[n](cn(CC(=O)Nc4cccnc4)n3)[Ag][n]3cn(n[n]3[Ag]([n]2nn1CC(=O)Nc1cccnc1)([O]=[Mo]1234[O]56=P78[O]9%10[Mo]%11%12%13(=O)O[Mo]%14%15%16([O]%177[Mo]7%18(O[Mo]%19%17(=O)(O[Mo]%17%20([O]%218[Mo]8(O%18)(O%17)(=O)O[Mo]%21(=O)(O3)(O%20)O[Mo]9(=O)(O4)(O[Mo]%10(O7)(=O)(O%12)O8)O%13)(=O)O[Mo]5(=O)(O%19)(O[Mo]6(=O)(O%11)(O%16)O1)O2)O%15)(=O)O%14)=O)[OH2])CC(=O)Nc1cnccc1)([O]=[Mo]1234[O]56=P78[O]9%10[Mo]%11%12(=O)(O[Mo]%13%14([O]%158[Mo]8%16(=O)(O%14)O[Mo]%14%17%18(=O)[O]%197[Mo]7%20(O%14)(=O)O[Mo]9(=O)(O[Mo]9%10(=O)(O[Mo]%19(=O)(O%20)(O%17)O[Mo]6(=O)(O9)(O3)O[Mo]5(=O)(O%18)(O%16)O4)O%12)(O%11)O[Mo]%15(=O)(O%13)(O7)O8)(=O)O1)O2)[OH2])CC(=O)Nc1cnccc1.O.O.O.O
• Title of publication: Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand
• Authors of publication: Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 27
• Pages of publication: 5101
• a: 12.932 ± 0.0004 Å
• b: 18.982 ± 0.0006 Å
• c: 21.457 ± 0.0007 Å
• α: 90°
• β: 102.729 ± 0.001°
• γ: 90°
• Cell volume: 5137.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No