Information card for entry 7225206

Structure parameters

• Formula: C21 H38 Ag N6 O49 P W12
• Calculated formula: C21 H24 Ag N6 O49 P W12
• SMILES: c1(NC(=O)C)ccc[n]([Ag][n]2cc(NC(=O)C)ccc2)c1.c1ncc(NC(=O)C)cc1.O=[W]123O[W]45(O[W]67(O[W]89(O[W]%10(O6)(O[W]6%11%12(=O)O[W]%13(O[W]%14(=O)(O%11)(O[W]%11(O[W](O8)(O[W](O9)([O]=P(O%13)(O%14)O%12)(O2)(O5)=O)(O[W](O6)(O%11)(=O)O%10)=O)(O3)=O)O1)(O7)(=O)O4)=O)=O)=O)=O.O.O.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: 12.7322 ± 0.001 Å
• b: 13.6706 ± 0.0011 Å
• c: 16.522 ± 0.0014 Å
• α: 89.582 ± 0.002°
• β: 87.082 ± 0.002°
• γ: 86.877 ± 0.002°
• Cell volume: 2867.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1954
• Weighted residual factors for all reflections included in the refinement: 0.2218
• 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