Information card for entry 7229493

Structure parameters

• Formula: C16 H18 F12 N8 Ni O8 S4
• Calculated formula: C16 H18 F12 N8 Ni O8 S4
• SMILES: CC#[N][Ni]([N]#CC)([N]#CC)([N]#CC)([N]#CC)[N]#CC.C(F)(S(=O)(=O)N=S([O-])(=O)C(F)(F)F)(F)F.C(F)(F)(F)S(=O)(=O)N=S([O-])(=O)C(F)(F)F
• Title of publication: Complex Formation of Nickel(II) with Dimethyl Sulfoxide, Methanol, and Acetonitrile in TFSA−‒based Ionic Liquid of [C2mim][TFSA]
• Authors of publication: Kawazu, Yutaro; Hoke, Hiroshi; Yamada, Yasunori; Umecky, Tatsuya; Ozutsumi , Kazuhiko; Takamuku, Toshiyuki
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2017
• a: 8.866 ± 0.003 Å
• b: 15.203 ± 0.005 Å
• c: 12.895 ± 0.005 Å
• α: 90°
• β: 105.443 ± 0.006°
• γ: 90°
• Cell volume: 1675.4 ± 1 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No