Information card for entry 7246182

Structure parameters

• Formula: C26 H26 Ag N8 O46 P W12
• Calculated formula: C26 H26 Ag N8 O46 P W12
• SMILES: [Ag]1([n]2ccn(c2)c2cc(cc(c2)n2cc[nH+]c2)C(=O)O)([n]2ccn(c2)c2cc(cc(c2)n2cc[nH+]c2)C(=O)O)[O]=[W]2345[O]67=P89[O]%10%11[W]%12%13%14(O[W]%15%16%17([O]%188[W]8%19(O%16)(=O)O[W]%16%18(O%17)(=O)O[W]%176(=O)(O[W]7(O[W]%11(O%14)(O8)(O[W]%10(O%13)(O[W]67(O[W]8(O%15)(=O)(O%12)O[W](O%16)(O6)([O]978)(=O)O%17)(=O)O2)(=O)O3)=O)(=O)(O%19)[O]14)O5)=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: 13.2571 ± 0.0005 Å
• b: 13.5874 ± 0.0004 Å
• c: 16.3513 ± 0.0006 Å
• α: 87.088 ± 0.001°
• β: 74.542 ± 0.001°
• γ: 88.095 ± 0.001°
• Cell volume: 2834.55 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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: 0.0558
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No