Information card for entry 1574996

Structure parameters

• Formula: C14 H22 Cl2 N2 Ni O4 S2
• Calculated formula: C14 H22 Cl2 N2 Ni O4 S2
• Title of publication: Electrochemically promoted defluorinative sulfoximination and fluorosulfonylation of non-activated aryl fluorides at room temperature.
• Authors of publication: Kong, Xianqiang; Chen, Yiyi; Zhang, Shuangquan; Feng, Kun; Chen, Xiaohui; Dong, Lin-Hui; Li, Meng-Hua; Xu, Yuan-Qing; Cao, Zhong-Yan
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 31
• Pages of publication: 14161 - 14169
• a: 5.6865 ± 0.0002 Å
• b: 8.1059 ± 0.0003 Å
• c: 10.908 ± 0.0004 Å
• α: 98.438 ± 0.002°
• β: 101.431 ± 0.002°
• γ: 101.186 ± 0.002°
• Cell volume: 474.41 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0267
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No