Information card for entry 7229494

Structure parameters

• Formula: C16 H36 Co F12 N2 O14 S10
• Calculated formula: C16 H36 Co F12 N2 O14 S10
• SMILES: CS(C)=[O][Co]([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: 8.351 ± 0.0016 Å
• b: 11.615 ± 0.002 Å
• c: 12.237 ± 0.003 Å
• α: 111.339 ± 0.002°
• β: 98.4886 ± 0.0016°
• γ: 100.274 ± 0.002°
• Cell volume: 1058.2 ± 0.4 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 all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No