Information card for entry 1542266

Structure parameters

• Formula: C14 H22 F12 Mg N2 O13 S4
• Calculated formula: C14 H22 F12 Mg N2 O13 S4
• SMILES: C[O]1CC[O]2CC[O]3CC[O]4CC[O](C)[Mg]1234(OS(C(F)(F)F)(=NS(=O)(=O)C(F)(F)F)=O)OS(C(F)(F)F)(=NS(=O)(=O)C(F)(F)F)=O
• Title of publication: Thermal and Electrochemical Stability of Tetraglyme‒Magnesium Bis(trifluoromethanesulfonyl)amide Complex: Electric Field Effect of Divalent Cation on Solvate Stability
• Authors of publication: Terada, Shoshi; Mandai, Toshihiko; Suzuki, Soma; Tsuzuki, Seiji; Watanabe, Katsuya; Kamei, Yutaro; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2016
• Journal volume: 120
• Journal issue: 3
• Pages of publication: 1353
• a: 10.1949 ± 0.0008 Å
• b: 8.4085 ± 0.0007 Å
• c: 35.446 ± 0.003 Å
• α: 90°
• β: 96.69 ± 0.0011°
• γ: 90°
• Cell volume: 3017.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No