Information card for entry 7229492

Structure parameters

• Formula: C16 H36 F12 N2 Ni O14 S10
• Calculated formula: C16 H36 F12 N2 Ni O14 S10
• SMILES: CS(C)=[O][Ni]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.C(F)(F)(S(=O)(=O)N=S([O-])(=O)C(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: 8.102 ± 0.002 Å
• b: 10.826 ± 0.004 Å
• c: 12.605 ± 0.004 Å
• α: 108.151 ± 0.005°
• β: 91.018 ± 0.003°
• γ: 101.503 ± 0.005°
• Cell volume: 1025.7 ± 0.6 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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 significantly intense reflections: 0.022
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No