Information card for entry 7246184

Structure parameters

• Formula: C52 H47 N16 Ni2 O52 P W12
• Calculated formula: C52 H46 N16 Ni2 O52 P W12
• 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: 17.2241 ± 0.0011 Å
• b: 13.6928 ± 0.0007 Å
• c: 17.4462 ± 0.0011 Å
• α: 90°
• β: 97.709 ± 0.002°
• γ: 90°
• Cell volume: 4077.4 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295.15 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0979
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.2655
• Weighted residual factors for all reflections included in the refinement: 0.2672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No