Information card for entry 7228639

Structure parameters

• Formula: C12 H18 F12 Mg N2 O12 S4
• Calculated formula: C12 H18 F12 Mg N2 O12 S4
• SMILES: S(=NS(=O)(=O)C(F)(F)F)(O[Mg]123([O](C)CC[O]1CC[O]2CC[O]3C)OS(=NS(=O)(=O)C(F)(F)F)(=O)C(F)(F)F)(=O)C(F)(F)F
• Title of publication: Effect of the cation on the stability of cation-glyme complexes and their interactions with the [TFSA]- anion
• Authors of publication: Tsuzuki, Seiji; MANDAI, Toshihiko; Suzuki, Soma; Shinoda, Wataru; Nakamura, Takenobu; Morishita, Tetsuya; Ueno, Kazuhide; Seki, Shiro; Umebayashi, Yasuhiro; Dokko, Kaoru; Watanabe, Masayoshi
• Journal of publication: Phys. Chem. Chem. Phys.
• Year of publication: 2017
• a: 8.7021 ± 0.0004 Å
• b: 9.1183 ± 0.0006 Å
• c: 9.2356 ± 0.0005 Å
• α: 97.006 ± 0.005°
• β: 95.727 ± 0.004°
• γ: 100.012 ± 0.005°
• Cell volume: 710.77 ± 0.07 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No