Information card for entry 7246181

Structure parameters

• Formula: C26 H26 Ag Mo12 N8 O46 P
• Calculated formula: C26 H26 Ag Mo12 N8 O46 P
• SMILES: [Ag]1([n]2cn(cc2)c2cc(cc(c2)C(=O)O)n2c[nH+]cc2)([n]2ccn(c2)c2cc(cc(c2)n2cc[nH+]c2)C(=O)O)[O]=[Mo]2345[O]67=P89[O]%10%11[Mo]%12%13%14(O[Mo]%15%16%17([O]%189[Mo]9%19(O[Mo]%18(O%15)(O2)(O[Mo]2%15([O]%188[Mo](O2)(=O)(O%14)(O[Mo]2%18(O[Mo]86(O[Mo]%10(O%12)(=O)(O[Mo]%11(=O)(O%13)(O%19)O[Mo]7(=O)(O9)(O8)O4)O2)(=O)[O]15)(O%15)=O)O%17)(=O)O3)=O)(=O)O%16)=O)=O.O.O
• Title of publication: Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand
• Authors of publication: Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 15
• Pages of publication: 2185 - 2195
• a: 13.2416 ± 0.0015 Å
• b: 13.5875 ± 0.0017 Å
• c: 16.296 ± 0.002 Å
• α: 87.365 ± 0.005°
• β: 74.269 ± 0.004°
• γ: 88.263 ± 0.005°
• Cell volume: 2818.7 ± 0.6 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 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: 0.0503
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No